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-d8faabb0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KX8-d8faabb0/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-d8faabb0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KX8-d8faabb0/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-d8faabb0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KX8-d8faabb0/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-d8faabb0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KX8-d8faabb0/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-d8faabb0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KX8-d8faabb0/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-d8faabb0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KX8-d8faabb0/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-d8faabb0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KX8-d8faabb0/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-d8faabb0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KX8-d8faabb0/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-d8faabb0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KX8-d8faabb0/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-d8faabb0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KX8-d8faabb0/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: 4
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -210.995199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.995199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.995199 (E_RNA)
where:
Base-Base interactions energy: -127.179
where: short stacking energy: -77.553
Base-Backbone interact. energy: -0.590
local terms energy: -83.225672
where:
bonds (distance) C4'-P energy: -23.815
bonds (distance) P-C4' energy: -24.495
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -10.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -141.345672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.345672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.345672 (E_RNA)
where:
Base-Base interactions energy: -51.082
where: short stacking energy: -31.984
Base-Backbone interact. energy: 0.295
local terms energy: -90.558542
where:
bonds (distance) C4'-P energy: -26.755
bonds (distance) P-C4' energy: -27.993
flat angles C4'-P-C4' energy: -19.556
flat angles P-C4'-P energy: -17.646
tors. eta vs tors. theta energy: 1.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 4
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -228.770728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.770728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.770728 (E_RNA)
where:
Base-Base interactions energy: -130.514
where: short stacking energy: -72.603
Base-Backbone interact. energy: 1.248
local terms energy: -99.504614
where:
bonds (distance) C4'-P energy: -23.300
bonds (distance) P-C4' energy: -30.432
flat angles C4'-P-C4' energy: -24.400
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -8.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 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: 7
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -134.371317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.371317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.371317 (E_RNA)
where:
Base-Base interactions energy: -53.891
where: short stacking energy: -39.811
Base-Backbone interact. energy: 0.552
local terms energy: -81.031908
where:
bonds (distance) C4'-P energy: -24.581
bonds (distance) P-C4' energy: -25.322
flat angles C4'-P-C4' energy: -20.238
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: 1.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 5
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -400.213282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.213282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.213282 (E_RNA)
where:
Base-Base interactions energy: -262.885
where: short stacking energy: -117.124
Base-Backbone interact. energy: -0.756
local terms energy: -136.572233
where:
bonds (distance) C4'-P energy: -26.325
bonds (distance) P-C4' energy: -32.630
flat angles C4'-P-C4' energy: -27.802
flat angles P-C4'-P energy: -22.071
tors. eta vs tors. theta energy: -27.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -391.814153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.814153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.814153 (E_RNA)
where:
Base-Base interactions energy: -265.882
where: short stacking energy: -105.496
Base-Backbone interact. energy: -0.890
local terms energy: -125.042292
where:
bonds (distance) C4'-P energy: -28.127
bonds (distance) P-C4' energy: -31.788
flat angles C4'-P-C4' energy: -25.825
flat angles P-C4'-P energy: -19.285
tors. eta vs tors. theta energy: -20.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 4
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -231.566660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.566660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.566660 (E_RNA)
where:
Base-Base interactions energy: -126.562
where: short stacking energy: -73.622
Base-Backbone interact. energy: 0.386
local terms energy: -105.389878
where:
bonds (distance) C4'-P energy: -28.266
bonds (distance) P-C4' energy: -21.795
flat angles C4'-P-C4' energy: -25.471
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -17.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 7
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -149.404850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.404850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.404850 (E_RNA)
where:
Base-Base interactions energy: -64.435
where: short stacking energy: -51.423
Base-Backbone interact. energy: -1.615
local terms energy: -83.354277
where:
bonds (distance) C4'-P energy: -20.737
bonds (distance) P-C4' energy: -23.843
flat angles C4'-P-C4' energy: -21.505
flat angles P-C4'-P energy: -15.012
tors. eta vs tors. theta energy: -2.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 5
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -379.222789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.222789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.222789 (E_RNA)
where:
Base-Base interactions energy: -260.225
where: short stacking energy: -110.699
Base-Backbone interact. energy: -0.153
local terms energy: -118.844603
where:
bonds (distance) C4'-P energy: -26.735
bonds (distance) P-C4' energy: -25.040
flat angles C4'-P-C4' energy: -30.975
flat angles P-C4'-P energy: -15.047
tors. eta vs tors. theta energy: -21.048
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: 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: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -387.079932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.079932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.079932 (E_RNA)
where:
Base-Base interactions energy: -268.492
where: short stacking energy: -113.919
Base-Backbone interact. energy: 0.045
local terms energy: -118.633342
where:
bonds (distance) C4'-P energy: -19.198
bonds (distance) P-C4' energy: -27.704
flat angles C4'-P-C4' energy: -25.218
flat angles P-C4'-P energy: -20.298
tors. eta vs tors. theta energy: -26.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 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: 4
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -227.002185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.002185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.002185 (E_RNA)
where:
Base-Base interactions energy: -123.358
where: short stacking energy: -67.756
Base-Backbone interact. energy: -0.690
local terms energy: -102.953852
where:
bonds (distance) C4'-P energy: -22.782
bonds (distance) P-C4' energy: -25.863
flat angles C4'-P-C4' energy: -24.796
flat angles P-C4'-P energy: -17.791
tors. eta vs tors. theta energy: -11.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -263.767344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.767344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.767344 (E_RNA)
where:
Base-Base interactions energy: -153.834
where: short stacking energy: -78.550
Base-Backbone interact. energy: -0.697
local terms energy: -109.236991
where:
bonds (distance) C4'-P energy: -23.331
bonds (distance) P-C4' energy: -24.011
flat angles C4'-P-C4' energy: -25.432
flat angles P-C4'-P energy: -16.006
tors. eta vs tors. theta energy: -20.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -165.238100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.238100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.238100 (E_RNA)
where:
Base-Base interactions energy: -65.955
where: short stacking energy: -65.955
Base-Backbone interact. energy: 0.739
local terms energy: -100.022138
where:
bonds (distance) C4'-P energy: -24.210
bonds (distance) P-C4' energy: -30.106
flat angles C4'-P-C4' energy: -20.347
flat angles P-C4'-P energy: -18.558
tors. eta vs tors. theta energy: -6.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -143.801879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.801879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.801879 (E_RNA)
where:
Base-Base interactions energy: -66.886
where: short stacking energy: -37.748
Base-Backbone interact. energy: -0.603
local terms energy: -76.313018
where:
bonds (distance) C4'-P energy: -22.550
bonds (distance) P-C4' energy: -21.316
flat angles C4'-P-C4' energy: -21.282
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: 1.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -380.731667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.731667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.731667 (E_RNA)
where:
Base-Base interactions energy: -257.559
where: short stacking energy: -103.291
Base-Backbone interact. energy: 2.042
local terms energy: -125.215052
where:
bonds (distance) C4'-P energy: -32.192
bonds (distance) P-C4' energy: -27.495
flat angles C4'-P-C4' energy: -24.286
flat angles P-C4'-P energy: -18.478
tors. eta vs tors. theta energy: -22.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -380.131648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.131648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.131648 (E_RNA)
where:
Base-Base interactions energy: -255.808
where: short stacking energy: -113.207
Base-Backbone interact. energy: 0.188
local terms energy: -124.511807
where:
bonds (distance) C4'-P energy: -22.339
bonds (distance) P-C4' energy: -24.560
flat angles C4'-P-C4' energy: -28.809
flat angles P-C4'-P energy: -19.130
tors. eta vs tors. theta energy: -29.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 9
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -209.260395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.260395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.260395 (E_RNA)
where:
Base-Base interactions energy: -104.745
where: short stacking energy: -55.742
Base-Backbone interact. energy: -1.366
local terms energy: -103.149129
where:
bonds (distance) C4'-P energy: -29.765
bonds (distance) P-C4' energy: -29.896
flat angles C4'-P-C4' energy: -25.811
flat angles P-C4'-P energy: -16.106
tors. eta vs tors. theta energy: -1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -218.036759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.036759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.036759 (E_RNA)
where:
Base-Base interactions energy: -120.010
where: short stacking energy: -65.559
Base-Backbone interact. energy: 0.501
local terms energy: -98.527951
where:
bonds (distance) C4'-P energy: -25.818
bonds (distance) P-C4' energy: -35.171
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -10.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -268.728926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.728926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.728926 (E_RNA)
where:
Base-Base interactions energy: -162.721
where: short stacking energy: -89.440
Base-Backbone interact. energy: -0.132
local terms energy: -105.876300
where:
bonds (distance) C4'-P energy: -19.082
bonds (distance) P-C4' energy: -22.588
flat angles C4'-P-C4' energy: -26.357
flat angles P-C4'-P energy: -14.185
tors. eta vs tors. theta energy: -23.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -145.235018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.235018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.235018 (E_RNA)
where:
Base-Base interactions energy: -62.167
where: short stacking energy: -31.460
Base-Backbone interact. energy: -0.254
local terms energy: -82.814019
where:
bonds (distance) C4'-P energy: -29.475
bonds (distance) P-C4' energy: -21.604
flat angles C4'-P-C4' energy: -23.620
flat angles P-C4'-P energy: -17.719
tors. eta vs tors. theta energy: 9.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -133.506197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.506197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.506197 (E_RNA)
where:
Base-Base interactions energy: -50.622
where: short stacking energy: -40.831
Base-Backbone interact. energy: -0.169
local terms energy: -82.715365
where:
bonds (distance) C4'-P energy: -26.132
bonds (distance) P-C4' energy: -31.411
flat angles C4'-P-C4' energy: -19.982
flat angles P-C4'-P energy: -5.009
tors. eta vs tors. theta energy: -0.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: -377.959179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.959179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.959179 (E_RNA)
where:
Base-Base interactions energy: -260.767
where: short stacking energy: -98.452
Base-Backbone interact. energy: -0.819
local terms energy: -116.373952
where:
bonds (distance) C4'-P energy: -21.330
bonds (distance) P-C4' energy: -29.957
flat angles C4'-P-C4' energy: -26.762
flat angles P-C4'-P energy: -16.504
tors. eta vs tors. theta energy: -21.821
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: 5
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -384.727968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.727968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.727968 (E_RNA)
where:
Base-Base interactions energy: -262.172
where: short stacking energy: -109.960
Base-Backbone interact. energy: -0.622
local terms energy: -121.933454
where:
bonds (distance) C4'-P energy: -26.401
bonds (distance) P-C4' energy: -30.873
flat angles C4'-P-C4' energy: -22.986
flat angles P-C4'-P energy: -17.190
tors. eta vs tors. theta energy: -24.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 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: 9
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -220.246366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.246366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.246366 (E_RNA)
where:
Base-Base interactions energy: -113.730
where: short stacking energy: -75.998
Base-Backbone interact. energy: -0.650
local terms energy: -105.866683
where:
bonds (distance) C4'-P energy: -26.930
bonds (distance) P-C4' energy: -28.313
flat angles C4'-P-C4' energy: -23.810
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -12.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -293.594350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.594350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.594350 (E_RNA)
where:
Base-Base interactions energy: -184.726
where: short stacking energy: -90.916
Base-Backbone interact. energy: -0.724
local terms energy: -108.144422
where:
bonds (distance) C4'-P energy: -19.511
bonds (distance) P-C4' energy: -23.571
flat angles C4'-P-C4' energy: -26.415
flat angles P-C4'-P energy: -22.696
tors. eta vs tors. theta energy: -15.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -210.743266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.743266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.743266 (E_RNA)
where:
Base-Base interactions energy: -121.499
where: short stacking energy: -61.419
Base-Backbone interact. energy: 1.614
local terms energy: -90.858206
where:
bonds (distance) C4'-P energy: -21.310
bonds (distance) P-C4' energy: -25.777
flat angles C4'-P-C4' energy: -22.831
flat angles P-C4'-P energy: -21.068
tors. eta vs tors. theta energy: 0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -150.463208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.463208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.463208 (E_RNA)
where:
Base-Base interactions energy: -52.334
where: short stacking energy: -41.595
Base-Backbone interact. energy: 3.358
local terms energy: -101.486819
where:
bonds (distance) C4'-P energy: -21.638
bonds (distance) P-C4' energy: -34.566
flat angles C4'-P-C4' energy: -26.681
flat angles P-C4'-P energy: -16.831
tors. eta vs tors. theta energy: -1.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -177.886753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.886753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.886753 (E_RNA)
where:
Base-Base interactions energy: -103.892
where: short stacking energy: -43.788
Base-Backbone interact. energy: -1.322
local terms energy: -72.672855
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -21.905
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -20.559
tors. eta vs tors. theta energy: 1.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -387.590241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.590241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.590241 (E_RNA)
where:
Base-Base interactions energy: -265.729
where: short stacking energy: -112.483
Base-Backbone interact. energy: -0.326
local terms energy: -121.535653
where:
bonds (distance) C4'-P energy: -26.205
bonds (distance) P-C4' energy: -27.090
flat angles C4'-P-C4' energy: -30.299
flat angles P-C4'-P energy: -15.888
tors. eta vs tors. theta energy: -22.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -385.629604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.629604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.629604 (E_RNA)
where:
Base-Base interactions energy: -252.369
where: short stacking energy: -112.417
Base-Backbone interact. energy: -1.340
local terms energy: -131.920382
where:
bonds (distance) C4'-P energy: -22.687
bonds (distance) P-C4' energy: -26.619
flat angles C4'-P-C4' energy: -29.528
flat angles P-C4'-P energy: -19.515
tors. eta vs tors. theta energy: -33.571
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: 5
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -381.397444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.397444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.397444 (E_RNA)
where:
Base-Base interactions energy: -264.361
where: short stacking energy: -114.804
Base-Backbone interact. energy: -2.043
local terms energy: -114.993685
where:
bonds (distance) C4'-P energy: -24.044
bonds (distance) P-C4' energy: -26.656
flat angles C4'-P-C4' energy: -23.293
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -27.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -365.484505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.484505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.484505 (E_RNA)
where:
Base-Base interactions energy: -252.231
where: short stacking energy: -103.322
Base-Backbone interact. energy: 0.032
local terms energy: -113.285182
where:
bonds (distance) C4'-P energy: -23.713
bonds (distance) P-C4' energy: -27.642
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -19.937
tors. eta vs tors. theta energy: -25.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -303.168513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.168513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.168513 (E_RNA)
where:
Base-Base interactions energy: -199.811
where: short stacking energy: -93.778
Base-Backbone interact. energy: -0.334
local terms energy: -103.024191
where:
bonds (distance) C4'-P energy: -21.329
bonds (distance) P-C4' energy: -28.102
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -21.472
tors. eta vs tors. theta energy: -16.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -195.401879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.401879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.401879 (E_RNA)
where:
Base-Base interactions energy: -103.491
where: short stacking energy: -61.345
Base-Backbone interact. energy: 1.629
local terms energy: -93.540501
where:
bonds (distance) C4'-P energy: -25.431
bonds (distance) P-C4' energy: -23.364
flat angles C4'-P-C4' energy: -26.417
flat angles P-C4'-P energy: -13.485
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: 8, replica: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -151.047783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.047783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.047783 (E_RNA)
where:
Base-Base interactions energy: -56.506
where: short stacking energy: -50.237
Base-Backbone interact. energy: 0.380
local terms energy: -94.921633
where:
bonds (distance) C4'-P energy: -23.670
bonds (distance) P-C4' energy: -29.116
flat angles C4'-P-C4' energy: -25.175
flat angles P-C4'-P energy: -12.619
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: 9, replica: 4
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -219.116506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.116506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.116506 (E_RNA)
where:
Base-Base interactions energy: -124.274
where: short stacking energy: -74.312
Base-Backbone interact. energy: -1.321
local terms energy: -93.521120
where:
bonds (distance) C4'-P energy: -20.179
bonds (distance) P-C4' energy: -27.608
flat angles C4'-P-C4' energy: -22.053
flat angles P-C4'-P energy: -15.483
tors. eta vs tors. theta energy: -8.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -204.266610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.266610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.266610 (E_RNA)
where:
Base-Base interactions energy: -120.095
where: short stacking energy: -48.797
Base-Backbone interact. energy: 0.515
local terms energy: -84.686153
where:
bonds (distance) C4'-P energy: -17.761
bonds (distance) P-C4' energy: -24.670
flat angles C4'-P-C4' energy: -21.695
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -9.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 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: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -393.564129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.564129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.564129 (E_RNA)
where:
Base-Base interactions energy: -261.733
where: short stacking energy: -105.861
Base-Backbone interact. energy: -0.836
local terms energy: -130.995536
where:
bonds (distance) C4'-P energy: -30.002
bonds (distance) P-C4' energy: -28.646
flat angles C4'-P-C4' energy: -32.125
flat angles P-C4'-P energy: -16.395
tors. eta vs tors. theta energy: -23.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -379.265096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.265096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.265096 (E_RNA)
where:
Base-Base interactions energy: -249.525
where: short stacking energy: -112.503
Base-Backbone interact. energy: -0.109
local terms energy: -129.630718
where:
bonds (distance) C4'-P energy: -29.409
bonds (distance) P-C4' energy: -22.482
flat angles C4'-P-C4' energy: -32.344
flat angles P-C4'-P energy: -17.368
tors. eta vs tors. theta energy: -28.027
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: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -369.190258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.190258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.190258 (E_RNA)
where:
Base-Base interactions energy: -237.033
where: short stacking energy: -121.230
Base-Backbone interact. energy: 0.048
local terms energy: -132.205646
where:
bonds (distance) C4'-P energy: -25.904
bonds (distance) P-C4' energy: -24.201
flat angles C4'-P-C4' energy: -28.625
flat angles P-C4'-P energy: -22.131
tors. eta vs tors. theta energy: -31.344
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: 1
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -389.267022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.267022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.267022 (E_RNA)
where:
Base-Base interactions energy: -267.619
where: short stacking energy: -109.281
Base-Backbone interact. energy: -0.161
local terms energy: -121.487768
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -32.141
flat angles C4'-P-C4' energy: -25.018
flat angles P-C4'-P energy: -20.367
tors. eta vs tors. theta energy: -22.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -302.504185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.504185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.504185 (E_RNA)
where:
Base-Base interactions energy: -182.667
where: short stacking energy: -104.349
Base-Backbone interact. energy: -0.426
local terms energy: -119.411376
where:
bonds (distance) C4'-P energy: -22.253
bonds (distance) P-C4' energy: -28.103
flat angles C4'-P-C4' energy: -27.941
flat angles P-C4'-P energy: -21.222
tors. eta vs tors. theta energy: -19.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -234.463621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.463621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.463621 (E_RNA)
where:
Base-Base interactions energy: -141.772
where: short stacking energy: -72.917
Base-Backbone interact. energy: 1.677
local terms energy: -94.368766
where:
bonds (distance) C4'-P energy: -23.561
bonds (distance) P-C4' energy: -28.233
flat angles C4'-P-C4' energy: -21.649
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -7.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -150.001241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.001241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.001241 (E_RNA)
where:
Base-Base interactions energy: -58.125
where: short stacking energy: -57.950
Base-Backbone interact. energy: 1.391
local terms energy: -93.266495
where:
bonds (distance) C4'-P energy: -19.003
bonds (distance) P-C4' energy: -28.734
flat angles C4'-P-C4' energy: -19.144
flat angles P-C4'-P energy: -20.295
tors. eta vs tors. theta energy: -6.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -200.810515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.810515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.810515 (E_RNA)
where:
Base-Base interactions energy: -101.799
where: short stacking energy: -45.418
Base-Backbone interact. energy: -1.175
local terms energy: -97.835801
where:
bonds (distance) C4'-P energy: -26.087
bonds (distance) P-C4' energy: -28.451
flat angles C4'-P-C4' energy: -24.750
flat angles P-C4'-P energy: -16.358
tors. eta vs tors. theta energy: -2.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -194.775621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.775621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.775621 (E_RNA)
where:
Base-Base interactions energy: -93.613
where: short stacking energy: -41.304
Base-Backbone interact. energy: -0.286
local terms energy: -100.876473
where:
bonds (distance) C4'-P energy: -30.650
bonds (distance) P-C4' energy: -31.419
flat angles C4'-P-C4' energy: -25.308
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: 0.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -408.997339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.997339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.997339 (E_RNA)
where:
Base-Base interactions energy: -287.260
where: short stacking energy: -113.616
Base-Backbone interact. energy: 0.042
local terms energy: -121.780327
where:
bonds (distance) C4'-P energy: -31.800
bonds (distance) P-C4' energy: -27.757
flat angles C4'-P-C4' energy: -26.546
flat angles P-C4'-P energy: -16.655
tors. eta vs tors. theta energy: -19.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -386.162358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.162358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.162358 (E_RNA)
where:
Base-Base interactions energy: -248.087
where: short stacking energy: -108.224
Base-Backbone interact. energy: -0.365
local terms energy: -137.711119
where:
bonds (distance) C4'-P energy: -32.310
bonds (distance) P-C4' energy: -27.007
flat angles C4'-P-C4' energy: -27.113
flat angles P-C4'-P energy: -21.679
tors. eta vs tors. theta energy: -29.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -419.945818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.945818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.945818 (E_RNA)
where:
Base-Base interactions energy: -284.434
where: short stacking energy: -118.708
Base-Backbone interact. energy: -0.367
local terms energy: -135.145265
where:
bonds (distance) C4'-P energy: -29.166
bonds (distance) P-C4' energy: -28.309
flat angles C4'-P-C4' energy: -30.843
flat angles P-C4'-P energy: -15.320
tors. eta vs tors. theta energy: -31.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -339.949324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.949324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.949324 (E_RNA)
where:
Base-Base interactions energy: -211.267
where: short stacking energy: -112.011
Base-Backbone interact. energy: -0.366
local terms energy: -128.315791
where:
bonds (distance) C4'-P energy: -23.111
bonds (distance) P-C4' energy: -28.537
flat angles C4'-P-C4' energy: -26.480
flat angles P-C4'-P energy: -21.590
tors. eta vs tors. theta energy: -28.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -243.507946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.507946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.507946 (E_RNA)
where:
Base-Base interactions energy: -138.916
where: short stacking energy: -82.474
Base-Backbone interact. energy: -0.320
local terms energy: -104.272131
where:
bonds (distance) C4'-P energy: -17.639
bonds (distance) P-C4' energy: -23.835
flat angles C4'-P-C4' energy: -29.686
flat angles P-C4'-P energy: -18.834
tors. eta vs tors. theta energy: -14.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -287.288001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.288001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.288001 (E_RNA)
where:
Base-Base interactions energy: -173.801
where: short stacking energy: -77.881
Base-Backbone interact. energy: -0.079
local terms energy: -113.407370
where:
bonds (distance) C4'-P energy: -27.012
bonds (distance) P-C4' energy: -22.306
flat angles C4'-P-C4' energy: -26.693
flat angles P-C4'-P energy: -23.048
tors. eta vs tors. theta energy: -14.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -231.508844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.508844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.508844 (E_RNA)
where:
Base-Base interactions energy: -143.928
where: short stacking energy: -65.241
Base-Backbone interact. energy: 0.937
local terms energy: -88.518005
where:
bonds (distance) C4'-P energy: -22.025
bonds (distance) P-C4' energy: -26.197
flat angles C4'-P-C4' energy: -19.791
flat angles P-C4'-P energy: -17.925
tors. eta vs tors. theta energy: -2.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -152.912508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.912508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.912508 (E_RNA)
where:
Base-Base interactions energy: -67.031
where: short stacking energy: -59.764
Base-Backbone interact. energy: -0.272
local terms energy: -85.610136
where:
bonds (distance) C4'-P energy: -24.960
bonds (distance) P-C4' energy: -23.262
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -8.850
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: 4
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -203.947633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.947633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.947633 (E_RNA)
where:
Base-Base interactions energy: -107.687
where: short stacking energy: -56.692
Base-Backbone interact. energy: -0.263
local terms energy: -95.996814
where:
bonds (distance) C4'-P energy: -19.148
bonds (distance) P-C4' energy: -26.997
flat angles C4'-P-C4' energy: -26.383
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -12.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -427.737633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.737633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.737633 (E_RNA)
where:
Base-Base interactions energy: -304.916
where: short stacking energy: -126.165
Base-Backbone interact. energy: -0.291
local terms energy: -122.530561
where:
bonds (distance) C4'-P energy: -22.578
bonds (distance) P-C4' energy: -28.362
flat angles C4'-P-C4' energy: -27.176
flat angles P-C4'-P energy: -18.266
tors. eta vs tors. theta energy: -26.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -451.750089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.750089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.750089 (E_RNA)
where:
Base-Base interactions energy: -306.713
where: short stacking energy: -130.192
Base-Backbone interact. energy: -0.834
local terms energy: -144.202358
where:
bonds (distance) C4'-P energy: -23.200
bonds (distance) P-C4' energy: -34.620
flat angles C4'-P-C4' energy: -33.233
flat angles P-C4'-P energy: -17.982
tors. eta vs tors. theta energy: -35.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -378.479231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.479231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.479231 (E_RNA)
where:
Base-Base interactions energy: -245.815
where: short stacking energy: -103.082
Base-Backbone interact. energy: -0.435
local terms energy: -132.229276
where:
bonds (distance) C4'-P energy: -26.210
bonds (distance) P-C4' energy: -31.672
flat angles C4'-P-C4' energy: -29.014
flat angles P-C4'-P energy: -14.909
tors. eta vs tors. theta energy: -30.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -331.863524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.863524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.863524 (E_RNA)
where:
Base-Base interactions energy: -204.636
where: short stacking energy: -106.021
Base-Backbone interact. energy: -0.354
local terms energy: -126.874386
where:
bonds (distance) C4'-P energy: -28.763
bonds (distance) P-C4' energy: -23.296
flat angles C4'-P-C4' energy: -28.873
flat angles P-C4'-P energy: -17.259
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: 6, replica: 9
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -224.746841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.746841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.746841 (E_RNA)
where:
Base-Base interactions energy: -142.582
where: short stacking energy: -76.880
Base-Backbone interact. energy: -0.492
local terms energy: -81.672408
where:
bonds (distance) C4'-P energy: -23.323
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -20.752
flat angles P-C4'-P energy: -15.529
tors. eta vs tors. theta energy: -6.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -297.103424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.103424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.103424 (E_RNA)
where:
Base-Base interactions energy: -187.466
where: short stacking energy: -88.423
Base-Backbone interact. energy: -0.791
local terms energy: -108.846262
where:
bonds (distance) C4'-P energy: -25.464
bonds (distance) P-C4' energy: -23.079
flat angles C4'-P-C4' energy: -27.367
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -17.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -262.185065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.185065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.185065 (E_RNA)
where:
Base-Base interactions energy: -164.613
where: short stacking energy: -84.901
Base-Backbone interact. energy: -0.418
local terms energy: -97.153933
where:
bonds (distance) C4'-P energy: -22.281
bonds (distance) P-C4' energy: -30.385
flat angles C4'-P-C4' energy: -28.241
flat angles P-C4'-P energy: -6.769
tors. eta vs tors. theta energy: -9.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -233.866786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.866786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.866786 (E_RNA)
where:
Base-Base interactions energy: -148.323
where: short stacking energy: -69.795
Base-Backbone interact. energy: 0.014
local terms energy: -85.558477
where:
bonds (distance) C4'-P energy: -19.720
bonds (distance) P-C4' energy: -24.922
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -15.399
tors. eta vs tors. theta energy: -7.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -143.454596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.454596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.454596 (E_RNA)
where:
Base-Base interactions energy: -61.260
where: short stacking energy: -56.473
Base-Backbone interact. energy: 1.175
local terms energy: -83.369341
where:
bonds (distance) C4'-P energy: -21.255
bonds (distance) P-C4' energy: -22.582
flat angles C4'-P-C4' energy: -23.096
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -3.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 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: -468.269792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.269792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.269792 (E_RNA)
where:
Base-Base interactions energy: -327.949
where: short stacking energy: -137.516
Base-Backbone interact. energy: -0.125
local terms energy: -140.195336
where:
bonds (distance) C4'-P energy: -24.116
bonds (distance) P-C4' energy: -29.023
flat angles C4'-P-C4' energy: -26.170
flat angles P-C4'-P energy: -20.487
tors. eta vs tors. theta energy: -40.401
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: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -391.638215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.638215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.638215 (E_RNA)
where:
Base-Base interactions energy: -276.560
where: short stacking energy: -123.080
Base-Backbone interact. energy: -0.571
local terms energy: -114.506899
where:
bonds (distance) C4'-P energy: -20.746
bonds (distance) P-C4' energy: -21.514
flat angles C4'-P-C4' energy: -29.078
flat angles P-C4'-P energy: -18.048
tors. eta vs tors. theta energy: -25.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -363.413185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.413185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.413185 (E_RNA)
where:
Base-Base interactions energy: -226.053
where: short stacking energy: -105.672
Base-Backbone interact. energy: -0.054
local terms energy: -137.305556
where:
bonds (distance) C4'-P energy: -22.510
bonds (distance) P-C4' energy: -29.284
flat angles C4'-P-C4' energy: -31.930
flat angles P-C4'-P energy: -23.658
tors. eta vs tors. theta energy: -29.923
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: 5, replica: 2
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -300.003808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.003808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.003808 (E_RNA)
where:
Base-Base interactions energy: -181.195
where: short stacking energy: -88.793
Base-Backbone interact. energy: -0.825
local terms energy: -117.983583
where:
bonds (distance) C4'-P energy: -29.895
bonds (distance) P-C4' energy: -27.657
flat angles C4'-P-C4' energy: -28.242
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -19.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -309.371828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.371828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.371828 (E_RNA)
where:
Base-Base interactions energy: -182.439
where: short stacking energy: -104.522
Base-Backbone interact. energy: -1.351
local terms energy: -125.581818
where:
bonds (distance) C4'-P energy: -28.951
bonds (distance) P-C4' energy: -29.209
flat angles C4'-P-C4' energy: -20.604
flat angles P-C4'-P energy: -23.491
tors. eta vs tors. theta energy: -23.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -240.481288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.481288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.481288 (E_RNA)
where:
Base-Base interactions energy: -138.744
where: short stacking energy: -73.031
Base-Backbone interact. energy: -0.559
local terms energy: -101.178515
where:
bonds (distance) C4'-P energy: -23.158
bonds (distance) P-C4' energy: -30.201
flat angles C4'-P-C4' energy: -25.121
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -11.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -270.312891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.312891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.312891 (E_RNA)
where:
Base-Base interactions energy: -174.063
where: short stacking energy: -69.273
Base-Backbone interact. energy: -0.075
local terms energy: -96.174899
where:
bonds (distance) C4'-P energy: -21.101
bonds (distance) P-C4' energy: -21.808
flat angles C4'-P-C4' energy: -29.450
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -14.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -230.745380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.745380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.745380 (E_RNA)
where:
Base-Base interactions energy: -136.290
where: short stacking energy: -70.895
Base-Backbone interact. energy: -0.206
local terms energy: -94.248861
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -24.897
flat angles C4'-P-C4' energy: -27.457
flat angles P-C4'-P energy: -14.968
tors. eta vs tors. theta energy: -11.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -157.237170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.237170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.237170 (E_RNA)
where:
Base-Base interactions energy: -72.112
where: short stacking energy: -55.419
Base-Backbone interact. energy: -1.468
local terms energy: -83.656825
where:
bonds (distance) C4'-P energy: -20.038
bonds (distance) P-C4' energy: -22.847
flat angles C4'-P-C4' energy: -22.432
flat angles P-C4'-P energy: -16.604
tors. eta vs tors. theta energy: -1.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -484.957377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.957377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.957377 (E_RNA)
where:
Base-Base interactions energy: -344.007
where: short stacking energy: -150.970
Base-Backbone interact. energy: -0.459
local terms energy: -140.492234
where:
bonds (distance) C4'-P energy: -23.537
bonds (distance) P-C4' energy: -31.231
flat angles C4'-P-C4' energy: -33.286
flat angles P-C4'-P energy: -15.389
tors. eta vs tors. theta energy: -37.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -477.746549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.746549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.746549 (E_RNA)
where:
Base-Base interactions energy: -329.567
where: short stacking energy: -142.836
Base-Backbone interact. energy: -0.915
local terms energy: -147.264776
where:
bonds (distance) C4'-P energy: -30.073
bonds (distance) P-C4' energy: -28.346
flat angles C4'-P-C4' energy: -26.828
flat angles P-C4'-P energy: -22.322
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: 3, replica: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -392.419298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.419298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.419298 (E_RNA)
where:
Base-Base interactions energy: -263.655
where: short stacking energy: -101.647
Base-Backbone interact. energy: -0.552
local terms energy: -128.212194
where:
bonds (distance) C4'-P energy: -23.393
bonds (distance) P-C4' energy: -29.895
flat angles C4'-P-C4' energy: -25.810
flat angles P-C4'-P energy: -23.549
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: 4, replica: 5
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -358.018308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.018308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.018308 (E_RNA)
where:
Base-Base interactions energy: -220.624
where: short stacking energy: -106.910
Base-Backbone interact. energy: 1.167
local terms energy: -138.561338
where:
bonds (distance) C4'-P energy: -26.136
bonds (distance) P-C4' energy: -26.443
flat angles C4'-P-C4' energy: -31.502
flat angles P-C4'-P energy: -21.550
tors. eta vs tors. theta energy: -32.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -277.693948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.693948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.693948 (E_RNA)
where:
Base-Base interactions energy: -166.587
where: short stacking energy: -93.201
Base-Backbone interact. energy: -0.736
local terms energy: -110.370631
where:
bonds (distance) C4'-P energy: -22.472
bonds (distance) P-C4' energy: -23.951
flat angles C4'-P-C4' energy: -23.334
flat angles P-C4'-P energy: -21.030
tors. eta vs tors. theta energy: -19.585
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: 20
Temperature: 1.150000
Total energy: -314.058079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.058079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.058079 (E_RNA)
where:
Base-Base interactions energy: -222.138
where: short stacking energy: -78.388
Base-Backbone interact. energy: -0.156
local terms energy: -91.763458
where:
bonds (distance) C4'-P energy: -20.345
bonds (distance) P-C4' energy: -22.126
flat angles C4'-P-C4' energy: -25.390
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -9.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -285.375934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.375934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.375934 (E_RNA)
where:
Base-Base interactions energy: -169.332
where: short stacking energy: -88.421
Base-Backbone interact. energy: -0.393
local terms energy: -115.651439
where:
bonds (distance) C4'-P energy: -21.779
bonds (distance) P-C4' energy: -28.618
flat angles C4'-P-C4' energy: -30.940
flat angles P-C4'-P energy: -14.456
tors. eta vs tors. theta energy: -19.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -211.092476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.092476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.092476 (E_RNA)
where:
Base-Base interactions energy: -109.801
where: short stacking energy: -60.034
Base-Backbone interact. energy: -0.447
local terms energy: -100.844303
where:
bonds (distance) C4'-P energy: -31.886
bonds (distance) P-C4' energy: -29.133
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -17.482
tors. eta vs tors. theta energy: -7.009
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: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -144.279680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.279680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.279680 (E_RNA)
where:
Base-Base interactions energy: -52.652
where: short stacking energy: -52.175
Base-Backbone interact. energy: -0.025
local terms energy: -91.602839
where:
bonds (distance) C4'-P energy: -23.829
bonds (distance) P-C4' energy: -22.836
flat angles C4'-P-C4' energy: -25.196
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -5.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -202.694204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.694204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.694204 (E_RNA)
where:
Base-Base interactions energy: -110.863
where: short stacking energy: -63.631
Base-Backbone interact. energy: 0.302
local terms energy: -92.133502
where:
bonds (distance) C4'-P energy: -24.589
bonds (distance) P-C4' energy: -26.652
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -10.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -485.909891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.909891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.909891 (E_RNA)
where:
Base-Base interactions energy: -331.230
where: short stacking energy: -140.278
Base-Backbone interact. energy: -0.136
local terms energy: -154.543436
where:
bonds (distance) C4'-P energy: -28.867
bonds (distance) P-C4' energy: -26.587
flat angles C4'-P-C4' energy: -33.774
flat angles P-C4'-P energy: -22.948
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: 2, replica: 6
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -479.656308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.656308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.656308 (E_RNA)
where:
Base-Base interactions energy: -343.550
where: short stacking energy: -142.378
Base-Backbone interact. energy: -0.267
local terms energy: -135.838793
where:
bonds (distance) C4'-P energy: -23.186
bonds (distance) P-C4' energy: -23.088
flat angles C4'-P-C4' energy: -29.950
flat angles P-C4'-P energy: -20.854
tors. eta vs tors. theta energy: -38.760
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: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -384.618357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.618357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.618357 (E_RNA)
where:
Base-Base interactions energy: -257.561
where: short stacking energy: -119.895
Base-Backbone interact. energy: 0.630
local terms energy: -127.686507
where:
bonds (distance) C4'-P energy: -27.313
bonds (distance) P-C4' energy: -25.277
flat angles C4'-P-C4' energy: -30.886
flat angles P-C4'-P energy: -23.485
tors. eta vs tors. theta energy: -20.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -372.158043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.158043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.158043 (E_RNA)
where:
Base-Base interactions energy: -250.920
where: short stacking energy: -103.359
Base-Backbone interact. energy: 0.704
local terms energy: -121.941869
where:
bonds (distance) C4'-P energy: -26.409
bonds (distance) P-C4' energy: -22.424
flat angles C4'-P-C4' energy: -31.365
flat angles P-C4'-P energy: -18.200
tors. eta vs tors. theta energy: -23.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -290.232253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.232253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.232253 (E_RNA)
where:
Base-Base interactions energy: -176.276
where: short stacking energy: -78.256
Base-Backbone interact. energy: -0.545
local terms energy: -113.411256
where:
bonds (distance) C4'-P energy: -27.273
bonds (distance) P-C4' energy: -25.154
flat angles C4'-P-C4' energy: -31.125
flat angles P-C4'-P energy: -17.918
tors. eta vs tors. theta energy: -11.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -332.826356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.826356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.826356 (E_RNA)
where:
Base-Base interactions energy: -219.742
where: short stacking energy: -93.933
Base-Backbone interact. energy: -0.431
local terms energy: -112.652904
where:
bonds (distance) C4'-P energy: -20.903
bonds (distance) P-C4' energy: -25.474
flat angles C4'-P-C4' energy: -25.671
flat angles P-C4'-P energy: -19.792
tors. eta vs tors. theta energy: -20.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -303.310505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.310505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.310505 (E_RNA)
where:
Base-Base interactions energy: -202.979
where: short stacking energy: -89.367
Base-Backbone interact. energy: 1.168
local terms energy: -101.499732
where:
bonds (distance) C4'-P energy: -22.911
bonds (distance) P-C4' energy: -20.267
flat angles C4'-P-C4' energy: -27.178
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -18.309
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: 8, replica: 9
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -194.749793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.749793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.749793 (E_RNA)
where:
Base-Base interactions energy: -101.558
where: short stacking energy: -60.523
Base-Backbone interact. energy: -0.328
local terms energy: -92.863713
where:
bonds (distance) C4'-P energy: -17.849
bonds (distance) P-C4' energy: -32.123
flat angles C4'-P-C4' energy: -22.444
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -10.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -145.300830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.300830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.300830 (E_RNA)
where:
Base-Base interactions energy: -56.125
where: short stacking energy: -48.252
Base-Backbone interact. energy: -1.211
local terms energy: -87.965135
where:
bonds (distance) C4'-P energy: -24.125
bonds (distance) P-C4' energy: -20.815
flat angles C4'-P-C4' energy: -19.665
flat angles P-C4'-P energy: -16.820
tors. eta vs tors. theta energy: -6.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -194.837929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.837929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.837929 (E_RNA)
where:
Base-Base interactions energy: -95.045
where: short stacking energy: -45.159
Base-Backbone interact. energy: -0.662
local terms energy: -99.130836
where:
bonds (distance) C4'-P energy: -25.599
bonds (distance) P-C4' energy: -27.805
flat angles C4'-P-C4' energy: -21.977
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -12.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -497.935130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.935130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.935130 (E_RNA)
where:
Base-Base interactions energy: -344.328
where: short stacking energy: -148.054
Base-Backbone interact. energy: -1.148
local terms energy: -152.459601
where:
bonds (distance) C4'-P energy: -26.665
bonds (distance) P-C4' energy: -31.699
flat angles C4'-P-C4' energy: -29.055
flat angles P-C4'-P energy: -24.469
tors. eta vs tors. theta energy: -40.572
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: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -488.534127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.534127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.534127 (E_RNA)
where:
Base-Base interactions energy: -336.121
where: short stacking energy: -147.589
Base-Backbone interact. energy: -0.116
local terms energy: -152.297229
where:
bonds (distance) C4'-P energy: -32.076
bonds (distance) P-C4' energy: -28.864
flat angles C4'-P-C4' energy: -31.229
flat angles P-C4'-P energy: -21.400
tors. eta vs tors. theta energy: -38.728
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: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -408.291029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.291029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.291029 (E_RNA)
where:
Base-Base interactions energy: -270.862
where: short stacking energy: -116.333
Base-Backbone interact. energy: -1.014
local terms energy: -136.414586
where:
bonds (distance) C4'-P energy: -27.668
bonds (distance) P-C4' energy: -25.215
flat angles C4'-P-C4' energy: -33.628
flat angles P-C4'-P energy: -26.125
tors. eta vs tors. theta energy: -23.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -391.941189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.941189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.941189 (E_RNA)
where:
Base-Base interactions energy: -267.391
where: short stacking energy: -106.735
Base-Backbone interact. energy: -0.332
local terms energy: -124.218680
where:
bonds (distance) C4'-P energy: -26.923
bonds (distance) P-C4' energy: -27.356
flat angles C4'-P-C4' energy: -27.345
flat angles P-C4'-P energy: -20.144
tors. eta vs tors. theta energy: -22.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -377.957397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.957397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.957397 (E_RNA)
where:
Base-Base interactions energy: -245.690
where: short stacking energy: -102.758
Base-Backbone interact. energy: 0.009
local terms energy: -132.276519
where:
bonds (distance) C4'-P energy: -25.962
bonds (distance) P-C4' energy: -29.417
flat angles C4'-P-C4' energy: -29.513
flat angles P-C4'-P energy: -22.518
tors. eta vs tors. theta energy: -24.867
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: 2
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -291.647916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.647916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.647916 (E_RNA)
where:
Base-Base interactions energy: -183.974
where: short stacking energy: -81.441
Base-Backbone interact. energy: 4.535
local terms energy: -112.209150
where:
bonds (distance) C4'-P energy: -21.714
bonds (distance) P-C4' energy: -31.827
flat angles C4'-P-C4' energy: -23.124
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: -18.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -290.905040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.905040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.905040 (E_RNA)
where:
Base-Base interactions energy: -184.623
where: short stacking energy: -76.778
Base-Backbone interact. energy: -0.492
local terms energy: -105.789820
where:
bonds (distance) C4'-P energy: -26.204
bonds (distance) P-C4' energy: -26.824
flat angles C4'-P-C4' energy: -24.695
flat angles P-C4'-P energy: -17.481
tors. eta vs tors. theta energy: -10.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -169.137757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.137757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.137757 (E_RNA)
where:
Base-Base interactions energy: -80.014
where: short stacking energy: -58.409
Base-Backbone interact. energy: -0.744
local terms energy: -88.380141
where:
bonds (distance) C4'-P energy: -19.632
bonds (distance) P-C4' energy: -26.487
flat angles C4'-P-C4' energy: -22.177
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -7.233
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: 4
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -186.106941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.106941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.106941 (E_RNA)
where:
Base-Base interactions energy: -102.865
where: short stacking energy: -63.985
Base-Backbone interact. energy: -0.336
local terms energy: -82.905146
where:
bonds (distance) C4'-P energy: -22.278
bonds (distance) P-C4' energy: -31.552
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -7.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -145.377517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.377517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.377517 (E_RNA)
where:
Base-Base interactions energy: -54.956
where: short stacking energy: -54.956
Base-Backbone interact. energy: -0.158
local terms energy: -90.263681
where:
bonds (distance) C4'-P energy: -28.582
bonds (distance) P-C4' energy: -24.633
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -9.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -505.383289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.383289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.383289 (E_RNA)
where:
Base-Base interactions energy: -351.175
where: short stacking energy: -153.431
Base-Backbone interact. energy: -0.496
local terms energy: -153.712471
where:
bonds (distance) C4'-P energy: -27.927
bonds (distance) P-C4' energy: -32.302
flat angles C4'-P-C4' energy: -29.406
flat angles P-C4'-P energy: -23.897
tors. eta vs tors. theta energy: -40.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -466.741233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.741233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.741233 (E_RNA)
where:
Base-Base interactions energy: -330.947
where: short stacking energy: -133.777
Base-Backbone interact. energy: -0.913
local terms energy: -134.880284
where:
bonds (distance) C4'-P energy: -28.714
bonds (distance) P-C4' energy: -25.518
flat angles C4'-P-C4' energy: -27.359
flat angles P-C4'-P energy: -19.593
tors. eta vs tors. theta energy: -33.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -402.719699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.719699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.719699 (E_RNA)
where:
Base-Base interactions energy: -281.438
where: short stacking energy: -115.120
Base-Backbone interact. energy: -0.603
local terms energy: -120.679392
where:
bonds (distance) C4'-P energy: -20.282
bonds (distance) P-C4' energy: -29.435
flat angles C4'-P-C4' energy: -25.210
flat angles P-C4'-P energy: -22.083
tors. eta vs tors. theta energy: -23.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -380.940313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.940313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.940313 (E_RNA)
where:
Base-Base interactions energy: -249.034
where: short stacking energy: -101.599
Base-Backbone interact. energy: -0.511
local terms energy: -131.395612
where:
bonds (distance) C4'-P energy: -26.430
bonds (distance) P-C4' energy: -30.426
flat angles C4'-P-C4' energy: -30.173
flat angles P-C4'-P energy: -13.769
tors. eta vs tors. theta energy: -30.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -372.321924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.321924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.321924 (E_RNA)
where:
Base-Base interactions energy: -254.194
where: short stacking energy: -123.166
Base-Backbone interact. energy: -1.296
local terms energy: -116.831301
where:
bonds (distance) C4'-P energy: -28.925
bonds (distance) P-C4' energy: -25.750
flat angles C4'-P-C4' energy: -22.479
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -25.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -285.451513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.451513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.451513 (E_RNA)
where:
Base-Base interactions energy: -181.106
where: short stacking energy: -79.598
Base-Backbone interact. energy: -1.465
local terms energy: -102.881100
where:
bonds (distance) C4'-P energy: -25.269
bonds (distance) P-C4' energy: -26.044
flat angles C4'-P-C4' energy: -26.004
flat angles P-C4'-P energy: -16.241
tors. eta vs tors. theta energy: -9.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -277.119533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.119533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.119533 (E_RNA)
where:
Base-Base interactions energy: -183.450
where: short stacking energy: -93.899
Base-Backbone interact. energy: 0.096
local terms energy: -93.765114
where:
bonds (distance) C4'-P energy: -19.539
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -18.720
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: -22.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -194.463877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.463877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.463877 (E_RNA)
where:
Base-Base interactions energy: -105.999
where: short stacking energy: -55.673
Base-Backbone interact. energy: -0.871
local terms energy: -87.593421
where:
bonds (distance) C4'-P energy: -30.478
bonds (distance) P-C4' energy: -26.868
flat angles C4'-P-C4' energy: -19.184
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -1.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -144.748436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.748436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.748436 (E_RNA)
where:
Base-Base interactions energy: -62.286
where: short stacking energy: -33.490
Base-Backbone interact. energy: -1.422
local terms energy: -81.039786
where:
bonds (distance) C4'-P energy: -24.007
bonds (distance) P-C4' energy: -28.705
flat angles C4'-P-C4' energy: -21.273
flat angles P-C4'-P energy: -3.890
tors. eta vs tors. theta energy: -3.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -135.334313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.334313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.334313 (E_RNA)
where:
Base-Base interactions energy: -49.902
where: short stacking energy: -36.229
Base-Backbone interact. energy: 0.059
local terms energy: -85.491056
where:
bonds (distance) C4'-P energy: -17.936
bonds (distance) P-C4' energy: -29.910
flat angles C4'-P-C4' energy: -24.122
flat angles P-C4'-P energy: -16.426
tors. eta vs tors. theta energy: 2.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -497.857087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.857087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.857087 (E_RNA)
where:
Base-Base interactions energy: -346.392
where: short stacking energy: -141.835
Base-Backbone interact. energy: -0.390
local terms energy: -151.074617
where:
bonds (distance) C4'-P energy: -27.932
bonds (distance) P-C4' energy: -25.359
flat angles C4'-P-C4' energy: -32.635
flat angles P-C4'-P energy: -21.522
tors. eta vs tors. theta energy: -43.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -465.894411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.894411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.894411 (E_RNA)
where:
Base-Base interactions energy: -323.106
where: short stacking energy: -137.924
Base-Backbone interact. energy: -0.019
local terms energy: -142.769538
where:
bonds (distance) C4'-P energy: -27.030
bonds (distance) P-C4' energy: -27.321
flat angles C4'-P-C4' energy: -29.754
flat angles P-C4'-P energy: -23.513
tors. eta vs tors. theta energy: -35.152
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: 8
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -418.242816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.242816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.242816 (E_RNA)
where:
Base-Base interactions energy: -279.992
where: short stacking energy: -124.194
Base-Backbone interact. energy: -0.840
local terms energy: -137.410808
where:
bonds (distance) C4'-P energy: -28.586
bonds (distance) P-C4' energy: -25.108
flat angles C4'-P-C4' energy: -33.767
flat angles P-C4'-P energy: -17.576
tors. eta vs tors. theta energy: -32.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -376.005525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.005525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.005525 (E_RNA)
where:
Base-Base interactions energy: -252.844
where: short stacking energy: -115.788
Base-Backbone interact. energy: -0.248
local terms energy: -122.913823
where:
bonds (distance) C4'-P energy: -19.198
bonds (distance) P-C4' energy: -28.279
flat angles C4'-P-C4' energy: -29.670
flat angles P-C4'-P energy: -16.928
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: 5, replica: 5
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -375.966990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.966990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.966990 (E_RNA)
where:
Base-Base interactions energy: -250.384
where: short stacking energy: -118.281
Base-Backbone interact. energy: -1.231
local terms energy: -124.351760
where:
bonds (distance) C4'-P energy: -28.006
bonds (distance) P-C4' energy: -22.814
flat angles C4'-P-C4' energy: -25.465
flat angles P-C4'-P energy: -19.718
tors. eta vs tors. theta energy: -28.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -292.056157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.056157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.056157 (E_RNA)
where:
Base-Base interactions energy: -171.875
where: short stacking energy: -92.302
Base-Backbone interact. energy: -0.280
local terms energy: -119.901741
where:
bonds (distance) C4'-P energy: -29.024
bonds (distance) P-C4' energy: -27.199
flat angles C4'-P-C4' energy: -25.087
flat angles P-C4'-P energy: -19.616
tors. eta vs tors. theta energy: -18.975
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: 2
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -261.945201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.945201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.945201 (E_RNA)
where:
Base-Base interactions energy: -151.048
where: short stacking energy: -89.797
Base-Backbone interact. energy: 0.181
local terms energy: -111.078483
where:
bonds (distance) C4'-P energy: -29.753
bonds (distance) P-C4' energy: -24.619
flat angles C4'-P-C4' energy: -21.708
flat angles P-C4'-P energy: -16.326
tors. eta vs tors. theta energy: -18.672
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: 4
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -225.779027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.779027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.779027 (E_RNA)
where:
Base-Base interactions energy: -120.619
where: short stacking energy: -61.250
Base-Backbone interact. energy: -0.174
local terms energy: -104.985641
where:
bonds (distance) C4'-P energy: -31.054
bonds (distance) P-C4' energy: -27.832
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -15.880
tors. eta vs tors. theta energy: -13.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -187.679742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.679742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.679742 (E_RNA)
where:
Base-Base interactions energy: -90.920
where: short stacking energy: -48.213
Base-Backbone interact. energy: -1.013
local terms energy: -95.747557
where:
bonds (distance) C4'-P energy: -25.390
bonds (distance) P-C4' energy: -30.042
flat angles C4'-P-C4' energy: -26.770
flat angles P-C4'-P energy: -17.794
tors. eta vs tors. theta energy: 4.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -142.206495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.206495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.206495 (E_RNA)
where:
Base-Base interactions energy: -66.074
where: short stacking energy: -33.358
Base-Backbone interact. energy: -0.657
local terms energy: -75.475580
where:
bonds (distance) C4'-P energy: -22.833
bonds (distance) P-C4' energy: -22.283
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -18.834
tors. eta vs tors. theta energy: 2.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -500.603558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.603558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.603558 (E_RNA)
where:
Base-Base interactions energy: -347.928
where: short stacking energy: -155.495
Base-Backbone interact. energy: -0.024
local terms energy: -152.651134
where:
bonds (distance) C4'-P energy: -27.740
bonds (distance) P-C4' energy: -30.075
flat angles C4'-P-C4' energy: -29.695
flat angles P-C4'-P energy: -19.074
tors. eta vs tors. theta energy: -46.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -452.908457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.908457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.908457 (E_RNA)
where:
Base-Base interactions energy: -304.293
where: short stacking energy: -133.566
Base-Backbone interact. energy: -0.157
local terms energy: -148.458524
where:
bonds (distance) C4'-P energy: -27.875
bonds (distance) P-C4' energy: -26.978
flat angles C4'-P-C4' energy: -29.375
flat angles P-C4'-P energy: -27.216
tors. eta vs tors. theta energy: -37.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -418.352897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.352897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.352897 (E_RNA)
where:
Base-Base interactions energy: -275.578
where: short stacking energy: -126.117
Base-Backbone interact. energy: -0.422
local terms energy: -142.352574
where:
bonds (distance) C4'-P energy: -26.785
bonds (distance) P-C4' energy: -30.583
flat angles C4'-P-C4' energy: -30.556
flat angles P-C4'-P energy: -24.245
tors. eta vs tors. theta energy: -30.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -365.637068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.637068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.637068 (E_RNA)
where:
Base-Base interactions energy: -251.023
where: short stacking energy: -107.678
Base-Backbone interact. energy: -0.615
local terms energy: -113.999907
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -31.474
flat angles C4'-P-C4' energy: -24.768
flat angles P-C4'-P energy: -15.215
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: 5, replica: 3
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -370.448126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.448126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.448126 (E_RNA)
where:
Base-Base interactions energy: -258.438
where: short stacking energy: -105.866
Base-Backbone interact. energy: 1.101
local terms energy: -113.110340
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -31.815
flat angles C4'-P-C4' energy: -27.673
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -24.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -303.147353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.147353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.147353 (E_RNA)
where:
Base-Base interactions energy: -181.469
where: short stacking energy: -112.082
Base-Backbone interact. energy: -0.360
local terms energy: -121.318455
where:
bonds (distance) C4'-P energy: -20.622
bonds (distance) P-C4' energy: -27.286
flat angles C4'-P-C4' energy: -24.027
flat angles P-C4'-P energy: -17.532
tors. eta vs tors. theta energy: -31.853
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: 7
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -277.382635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.382635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.382635 (E_RNA)
where:
Base-Base interactions energy: -169.501
where: short stacking energy: -81.370
Base-Backbone interact. energy: -0.444
local terms energy: -107.437334
where:
bonds (distance) C4'-P energy: -26.368
bonds (distance) P-C4' energy: -27.847
flat angles C4'-P-C4' energy: -30.539
flat angles P-C4'-P energy: -14.683
tors. eta vs tors. theta energy: -8.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -252.298287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.298287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.298287 (E_RNA)
where:
Base-Base interactions energy: -154.974
where: short stacking energy: -78.839
Base-Backbone interact. energy: -1.949
local terms energy: -95.376126
where:
bonds (distance) C4'-P energy: -27.020
bonds (distance) P-C4' energy: -21.307
flat angles C4'-P-C4' energy: -25.345
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -8.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -224.981604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.981604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.981604 (E_RNA)
where:
Base-Base interactions energy: -137.244
where: short stacking energy: -63.405
Base-Backbone interact. energy: -0.194
local terms energy: -87.544227
where:
bonds (distance) C4'-P energy: -23.271
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -22.689
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -7.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -155.807389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.807389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.807389 (E_RNA)
where:
Base-Base interactions energy: -64.088
where: short stacking energy: -44.025
Base-Backbone interact. energy: -0.774
local terms energy: -90.945118
where:
bonds (distance) C4'-P energy: -23.684
bonds (distance) P-C4' energy: -30.215
flat angles C4'-P-C4' energy: -25.606
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -0.735
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: 1, replica: 6
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -515.150578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.150578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.150578 (E_RNA)
where:
Base-Base interactions energy: -349.428
where: short stacking energy: -145.822
Base-Backbone interact. energy: -0.281
local terms energy: -165.441416
where:
bonds (distance) C4'-P energy: -33.322
bonds (distance) P-C4' energy: -31.530
flat angles C4'-P-C4' energy: -31.353
flat angles P-C4'-P energy: -21.969
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: 2, replica: 1
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -469.572910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.572910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.572910 (E_RNA)
where:
Base-Base interactions energy: -334.341
where: short stacking energy: -135.283
Base-Backbone interact. energy: -0.087
local terms energy: -135.144473
where:
bonds (distance) C4'-P energy: -29.142
bonds (distance) P-C4' energy: -31.369
flat angles C4'-P-C4' energy: -23.598
flat angles P-C4'-P energy: -20.375
tors. eta vs tors. theta energy: -30.661
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: 5
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -383.943412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.943412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.943412 (E_RNA)
where:
Base-Base interactions energy: -249.704
where: short stacking energy: -122.139
Base-Backbone interact. energy: -0.203
local terms energy: -134.035909
where:
bonds (distance) C4'-P energy: -29.100
bonds (distance) P-C4' energy: -28.127
flat angles C4'-P-C4' energy: -26.664
flat angles P-C4'-P energy: -20.452
tors. eta vs tors. theta energy: -29.694
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: 8
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -391.902877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.902877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.902877 (E_RNA)
where:
Base-Base interactions energy: -253.898
where: short stacking energy: -112.554
Base-Backbone interact. energy: -1.165
local terms energy: -136.839984
where:
bonds (distance) C4'-P energy: -30.623
bonds (distance) P-C4' energy: -29.919
flat angles C4'-P-C4' energy: -27.489
flat angles P-C4'-P energy: -18.820
tors. eta vs tors. theta energy: -29.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -353.493135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.493135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.493135 (E_RNA)
where:
Base-Base interactions energy: -235.584
where: short stacking energy: -102.480
Base-Backbone interact. energy: -0.427
local terms energy: -117.481450
where:
bonds (distance) C4'-P energy: -25.737
bonds (distance) P-C4' energy: -27.020
flat angles C4'-P-C4' energy: -26.738
flat angles P-C4'-P energy: -17.440
tors. eta vs tors. theta energy: -20.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -278.426163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.426163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.426163 (E_RNA)
where:
Base-Base interactions energy: -167.614
where: short stacking energy: -86.733
Base-Backbone interact. energy: -1.317
local terms energy: -109.495150
where:
bonds (distance) C4'-P energy: -33.083
bonds (distance) P-C4' energy: -14.369
flat angles C4'-P-C4' energy: -25.822
flat angles P-C4'-P energy: -20.700
tors. eta vs tors. theta energy: -15.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -297.216942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.216942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.216942 (E_RNA)
where:
Base-Base interactions energy: -184.126
where: short stacking energy: -71.851
Base-Backbone interact. energy: -0.079
local terms energy: -113.012271
where:
bonds (distance) C4'-P energy: -28.509
bonds (distance) P-C4' energy: -27.482
flat angles C4'-P-C4' energy: -30.993
flat angles P-C4'-P energy: -15.838
tors. eta vs tors. theta energy: -10.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -208.439566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.439566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.439566 (E_RNA)
where:
Base-Base interactions energy: -106.960
where: short stacking energy: -54.207
Base-Backbone interact. energy: -0.084
local terms energy: -101.395652
where:
bonds (distance) C4'-P energy: -22.815
bonds (distance) P-C4' energy: -28.584
flat angles C4'-P-C4' energy: -22.638
flat angles P-C4'-P energy: -23.801
tors. eta vs tors. theta energy: -3.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -269.604069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.604069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.604069 (E_RNA)
where:
Base-Base interactions energy: -158.666
where: short stacking energy: -72.038
Base-Backbone interact. energy: -1.221
local terms energy: -109.716817
where:
bonds (distance) C4'-P energy: -18.862
bonds (distance) P-C4' energy: -25.577
flat angles C4'-P-C4' energy: -28.589
flat angles P-C4'-P energy: -19.915
tors. eta vs tors. theta energy: -16.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -143.635605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.635605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.635605 (E_RNA)
where:
Base-Base interactions energy: -52.599
where: short stacking energy: -47.871
Base-Backbone interact. energy: 2.503
local terms energy: -93.539936
where:
bonds (distance) C4'-P energy: -30.392
bonds (distance) P-C4' energy: -20.046
flat angles C4'-P-C4' energy: -25.427
flat angles P-C4'-P energy: -16.935
tors. eta vs tors. theta energy: -0.739
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: 1, replica: 6
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -503.598519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.598519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.598519 (E_RNA)
where:
Base-Base interactions energy: -353.336
where: short stacking energy: -147.939
Base-Backbone interact. energy: -0.608
local terms energy: -149.654030
where:
bonds (distance) C4'-P energy: -25.957
bonds (distance) P-C4' energy: -26.803
flat angles C4'-P-C4' energy: -30.614
flat angles P-C4'-P energy: -23.858
tors. eta vs tors. theta energy: -42.422
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: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -477.750551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.750551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.750551 (E_RNA)
where:
Base-Base interactions energy: -342.581
where: short stacking energy: -136.003
Base-Backbone interact. energy: -0.379
local terms energy: -134.789934
where:
bonds (distance) C4'-P energy: -23.891
bonds (distance) P-C4' energy: -26.206
flat angles C4'-P-C4' energy: -28.230
flat angles P-C4'-P energy: -19.066
tors. eta vs tors. theta energy: -37.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -377.387956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.387956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.387956 (E_RNA)
where:
Base-Base interactions energy: -250.295
where: short stacking energy: -107.382
Base-Backbone interact. energy: 0.180
local terms energy: -127.273554
where:
bonds (distance) C4'-P energy: -27.323
bonds (distance) P-C4' energy: -28.274
flat angles C4'-P-C4' energy: -26.896
flat angles P-C4'-P energy: -16.970
tors. eta vs tors. theta energy: -27.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -376.601409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.601409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.601409 (E_RNA)
where:
Base-Base interactions energy: -255.671
where: short stacking energy: -93.718
Base-Backbone interact. energy: -0.412
local terms energy: -120.517691
where:
bonds (distance) C4'-P energy: -23.458
bonds (distance) P-C4' energy: -28.285
flat angles C4'-P-C4' energy: -26.890
flat angles P-C4'-P energy: -18.756
tors. eta vs tors. theta energy: -23.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -394.867822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.867822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.867822 (E_RNA)
where:
Base-Base interactions energy: -273.360
where: short stacking energy: -113.441
Base-Backbone interact. energy: -0.581
local terms energy: -120.926950
where:
bonds (distance) C4'-P energy: -23.054
bonds (distance) P-C4' energy: -29.045
flat angles C4'-P-C4' energy: -26.528
flat angles P-C4'-P energy: -15.220
tors. eta vs tors. theta energy: -27.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -337.722088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.722088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.722088 (E_RNA)
where:
Base-Base interactions energy: -227.315
where: short stacking energy: -95.070
Base-Backbone interact. energy: -0.594
local terms energy: -109.813309
where:
bonds (distance) C4'-P energy: -31.141
bonds (distance) P-C4' energy: -28.143
flat angles C4'-P-C4' energy: -24.191
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -15.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -270.682514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.682514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.682514 (E_RNA)
where:
Base-Base interactions energy: -158.946
where: short stacking energy: -82.922
Base-Backbone interact. energy: -0.106
local terms energy: -111.629941
where:
bonds (distance) C4'-P energy: -20.175
bonds (distance) P-C4' energy: -29.235
flat angles C4'-P-C4' energy: -25.364
flat angles P-C4'-P energy: -19.040
tors. eta vs tors. theta energy: -17.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -251.849028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.849028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.849028 (E_RNA)
where:
Base-Base interactions energy: -158.382
where: short stacking energy: -91.168
Base-Backbone interact. energy: -0.447
local terms energy: -93.019937
where:
bonds (distance) C4'-P energy: -22.791
bonds (distance) P-C4' energy: -19.910
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -20.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -219.278095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.278095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.278095 (E_RNA)
where:
Base-Base interactions energy: -107.822
where: short stacking energy: -60.858
Base-Backbone interact. energy: -0.275
local terms energy: -111.180999
where:
bonds (distance) C4'-P energy: -29.719
bonds (distance) P-C4' energy: -27.585
flat angles C4'-P-C4' energy: -24.286
flat angles P-C4'-P energy: -19.384
tors. eta vs tors. theta energy: -10.208
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: 27
Temperature: 1.350000
Total energy: -126.519090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.519090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.519090 (E_RNA)
where:
Base-Base interactions energy: -46.088
where: short stacking energy: -39.861
Base-Backbone interact. energy: -0.026
local terms energy: -80.405043
where:
bonds (distance) C4'-P energy: -25.588
bonds (distance) P-C4' energy: -27.757
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: 1.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -500.966488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.966488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.966488 (E_RNA)
where:
Base-Base interactions energy: -351.089
where: short stacking energy: -145.215
Base-Backbone interact. energy: -0.172
local terms energy: -149.705507
where:
bonds (distance) C4'-P energy: -30.354
bonds (distance) P-C4' energy: -26.586
flat angles C4'-P-C4' energy: -35.990
flat angles P-C4'-P energy: -17.629
tors. eta vs tors. theta energy: -39.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -480.916015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.916015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.916015 (E_RNA)
where:
Base-Base interactions energy: -330.160
where: short stacking energy: -137.349
Base-Backbone interact. energy: -0.412
local terms energy: -150.344063
where:
bonds (distance) C4'-P energy: -31.020
bonds (distance) P-C4' energy: -28.765
flat angles C4'-P-C4' energy: -33.762
flat angles P-C4'-P energy: -19.334
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: 3, replica: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -392.924693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.924693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.924693 (E_RNA)
where:
Base-Base interactions energy: -278.031
where: short stacking energy: -102.447
Base-Backbone interact. energy: -0.186
local terms energy: -114.707739
where:
bonds (distance) C4'-P energy: -21.875
bonds (distance) P-C4' energy: -27.968
flat angles C4'-P-C4' energy: -30.180
flat angles P-C4'-P energy: -18.524
tors. eta vs tors. theta energy: -16.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -353.816606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.816606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.816606 (E_RNA)
where:
Base-Base interactions energy: -233.427
where: short stacking energy: -106.284
Base-Backbone interact. energy: 0.247
local terms energy: -120.636666
where:
bonds (distance) C4'-P energy: -18.728
bonds (distance) P-C4' energy: -29.273
flat angles C4'-P-C4' energy: -29.000
flat angles P-C4'-P energy: -17.591
tors. eta vs tors. theta energy: -26.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -397.403120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.403120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.403120 (E_RNA)
where:
Base-Base interactions energy: -271.058
where: short stacking energy: -120.218
Base-Backbone interact. energy: -0.150
local terms energy: -126.195066
where:
bonds (distance) C4'-P energy: -29.711
bonds (distance) P-C4' energy: -29.018
flat angles C4'-P-C4' energy: -28.424
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -28.048
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: 7
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -353.846038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.846038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.846038 (E_RNA)
where:
Base-Base interactions energy: -224.641
where: short stacking energy: -100.711
Base-Backbone interact. energy: -1.078
local terms energy: -128.126681
where:
bonds (distance) C4'-P energy: -26.719
bonds (distance) P-C4' energy: -31.436
flat angles C4'-P-C4' energy: -29.402
flat angles P-C4'-P energy: -15.734
tors. eta vs tors. theta energy: -24.835
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: 2
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -264.606672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.606672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.606672 (E_RNA)
where:
Base-Base interactions energy: -162.764
where: short stacking energy: -77.516
Base-Backbone interact. energy: -0.996
local terms energy: -100.846758
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -25.954
flat angles C4'-P-C4' energy: -25.028
flat angles P-C4'-P energy: -14.559
tors. eta vs tors. theta energy: -18.237
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: 10
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -204.100193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.100193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.100193 (E_RNA)
where:
Base-Base interactions energy: -105.734
where: short stacking energy: -68.765
Base-Backbone interact. energy: -0.835
local terms energy: -97.531293
where:
bonds (distance) C4'-P energy: -25.276
bonds (distance) P-C4' energy: -23.029
flat angles C4'-P-C4' energy: -22.979
flat angles P-C4'-P energy: -17.493
tors. eta vs tors. theta energy: -8.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -223.431511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.431511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.431511 (E_RNA)
where:
Base-Base interactions energy: -127.237
where: short stacking energy: -63.787
Base-Backbone interact. energy: 1.992
local terms energy: -98.186378
where:
bonds (distance) C4'-P energy: -25.338
bonds (distance) P-C4' energy: -21.839
flat angles C4'-P-C4' energy: -21.596
flat angles P-C4'-P energy: -17.970
tors. eta vs tors. theta energy: -11.443
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: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -139.587798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.587798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.587798 (E_RNA)
where:
Base-Base interactions energy: -47.773
where: short stacking energy: -47.773
Base-Backbone interact. energy: 0.502
local terms energy: -92.316305
where:
bonds (distance) C4'-P energy: -25.124
bonds (distance) P-C4' energy: -28.665
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -15.467
tors. eta vs tors. theta energy: -3.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -519.702088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.702088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.702088 (E_RNA)
where:
Base-Base interactions energy: -351.527
where: short stacking energy: -150.132
Base-Backbone interact. energy: -0.486
local terms energy: -167.689591
where:
bonds (distance) C4'-P energy: -29.059
bonds (distance) P-C4' energy: -32.918
flat angles C4'-P-C4' energy: -33.877
flat angles P-C4'-P energy: -26.755
tors. eta vs tors. theta energy: -45.081
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: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -474.494483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.494483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.494483 (E_RNA)
where:
Base-Base interactions energy: -338.931
where: short stacking energy: -142.865
Base-Backbone interact. energy: -0.499
local terms energy: -135.065285
where:
bonds (distance) C4'-P energy: -29.829
bonds (distance) P-C4' energy: -24.507
flat angles C4'-P-C4' energy: -31.581
flat angles P-C4'-P energy: -11.669
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: 3, replica: 3
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -388.560467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.560467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.560467 (E_RNA)
where:
Base-Base interactions energy: -266.810
where: short stacking energy: -110.128
Base-Backbone interact. energy: 0.886
local terms energy: -122.635687
where:
bonds (distance) C4'-P energy: -27.016
bonds (distance) P-C4' energy: -33.719
flat angles C4'-P-C4' energy: -25.123
flat angles P-C4'-P energy: -18.728
tors. eta vs tors. theta energy: -18.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -405.547513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.547513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.547513 (E_RNA)
where:
Base-Base interactions energy: -281.059
where: short stacking energy: -116.087
Base-Backbone interact. energy: -0.219
local terms energy: -124.269612
where:
bonds (distance) C4'-P energy: -28.409
bonds (distance) P-C4' energy: -20.648
flat angles C4'-P-C4' energy: -31.173
flat angles P-C4'-P energy: -14.406
tors. eta vs tors. theta energy: -29.633
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: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -345.743268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.743268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.743268 (E_RNA)
where:
Base-Base interactions energy: -218.683
where: short stacking energy: -111.697
Base-Backbone interact. energy: -0.122
local terms energy: -126.938390
where:
bonds (distance) C4'-P energy: -24.943
bonds (distance) P-C4' energy: -29.604
flat angles C4'-P-C4' energy: -27.170
flat angles P-C4'-P energy: -16.410
tors. eta vs tors. theta energy: -28.810
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: 7
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -381.333026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.333026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.333026 (E_RNA)
where:
Base-Base interactions energy: -261.061
where: short stacking energy: -116.764
Base-Backbone interact. energy: -0.539
local terms energy: -119.732994
where:
bonds (distance) C4'-P energy: -26.869
bonds (distance) P-C4' energy: -24.061
flat angles C4'-P-C4' energy: -24.504
flat angles P-C4'-P energy: -18.699
tors. eta vs tors. theta energy: -25.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -260.282787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.282787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.282787 (E_RNA)
where:
Base-Base interactions energy: -158.408
where: short stacking energy: -84.768
Base-Backbone interact. energy: -0.358
local terms energy: -101.517584
where:
bonds (distance) C4'-P energy: -23.577
bonds (distance) P-C4' energy: -21.911
flat angles C4'-P-C4' energy: -21.507
flat angles P-C4'-P energy: -20.911
tors. eta vs tors. theta energy: -13.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -210.435362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.435362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.435362 (E_RNA)
where:
Base-Base interactions energy: -119.768
where: short stacking energy: -52.261
Base-Backbone interact. energy: 0.929
local terms energy: -91.596648
where:
bonds (distance) C4'-P energy: -22.922
bonds (distance) P-C4' energy: -23.485
flat angles C4'-P-C4' energy: -26.752
flat angles P-C4'-P energy: -14.137
tors. eta vs tors. theta energy: -4.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -211.644337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.644337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.644337 (E_RNA)
where:
Base-Base interactions energy: -112.766
where: short stacking energy: -61.628
Base-Backbone interact. energy: -0.208
local terms energy: -98.670951
where:
bonds (distance) C4'-P energy: -27.338
bonds (distance) P-C4' energy: -27.777
flat angles C4'-P-C4' energy: -22.313
flat angles P-C4'-P energy: -13.509
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: 10, replica: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -138.503976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.503976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.503976 (E_RNA)
where:
Base-Base interactions energy: -54.687
where: short stacking energy: -52.382
Base-Backbone interact. energy: -0.577
local terms energy: -83.240462
where:
bonds (distance) C4'-P energy: -29.345
bonds (distance) P-C4' energy: -22.038
flat angles C4'-P-C4' energy: -19.209
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -3.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -503.680418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.680418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.680418 (E_RNA)
where:
Base-Base interactions energy: -351.002
where: short stacking energy: -142.536
Base-Backbone interact. energy: -0.263
local terms energy: -152.415918
where:
bonds (distance) C4'-P energy: -29.343
bonds (distance) P-C4' energy: -25.899
flat angles C4'-P-C4' energy: -31.931
flat angles P-C4'-P energy: -23.626
tors. eta vs tors. theta energy: -41.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -476.243453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.243453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.243453 (E_RNA)
where:
Base-Base interactions energy: -340.448
where: short stacking energy: -142.906
Base-Backbone interact. energy: -0.015
local terms energy: -135.779551
where:
bonds (distance) C4'-P energy: -28.030
bonds (distance) P-C4' energy: -24.139
flat angles C4'-P-C4' energy: -25.583
flat angles P-C4'-P energy: -20.389
tors. eta vs tors. theta energy: -37.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -425.816747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.816747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.816747 (E_RNA)
where:
Base-Base interactions energy: -290.745
where: short stacking energy: -110.972
Base-Backbone interact. energy: -0.616
local terms energy: -134.455743
where:
bonds (distance) C4'-P energy: -28.270
bonds (distance) P-C4' energy: -33.120
flat angles C4'-P-C4' energy: -25.334
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -35.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -379.534908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.534908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.534908 (E_RNA)
where:
Base-Base interactions energy: -256.602
where: short stacking energy: -113.565
Base-Backbone interact. energy: 0.098
local terms energy: -123.031315
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -28.631
flat angles C4'-P-C4' energy: -29.549
flat angles P-C4'-P energy: -21.914
tors. eta vs tors. theta energy: -27.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -352.767957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.767957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.767957 (E_RNA)
where:
Base-Base interactions energy: -236.157
where: short stacking energy: -95.019
Base-Backbone interact. energy: 1.456
local terms energy: -118.066983
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -28.748
flat angles C4'-P-C4' energy: -25.899
flat angles P-C4'-P energy: -19.157
tors. eta vs tors. theta energy: -27.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -355.901502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.901502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.901502 (E_RNA)
where:
Base-Base interactions energy: -248.027
where: short stacking energy: -98.622
Base-Backbone interact. energy: -0.104
local terms energy: -107.770245
where:
bonds (distance) C4'-P energy: -21.543
bonds (distance) P-C4' energy: -28.481
flat angles C4'-P-C4' energy: -27.201
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -20.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -322.801089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.801089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.801089 (E_RNA)
where:
Base-Base interactions energy: -205.820
where: short stacking energy: -99.433
Base-Backbone interact. energy: -0.355
local terms energy: -116.626106
where:
bonds (distance) C4'-P energy: -25.598
bonds (distance) P-C4' energy: -28.403
flat angles C4'-P-C4' energy: -28.791
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -24.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -221.883733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.883733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.883733 (E_RNA)
where:
Base-Base interactions energy: -117.880
where: short stacking energy: -70.649
Base-Backbone interact. energy: 0.074
local terms energy: -104.077730
where:
bonds (distance) C4'-P energy: -22.053
bonds (distance) P-C4' energy: -31.908
flat angles C4'-P-C4' energy: -29.311
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -11.366
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: 10
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -205.286543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.286543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.286543 (E_RNA)
where:
Base-Base interactions energy: -117.502
where: short stacking energy: -69.819
Base-Backbone interact. energy: -0.986
local terms energy: -86.799154
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -21.014
flat angles C4'-P-C4' energy: -24.109
flat angles P-C4'-P energy: -15.303
tors. eta vs tors. theta energy: -10.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -134.668964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.668964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.668964 (E_RNA)
where:
Base-Base interactions energy: -51.121
where: short stacking energy: -51.010
Base-Backbone interact. energy: -0.841
local terms energy: -82.707035
where:
bonds (distance) C4'-P energy: -27.083
bonds (distance) P-C4' energy: -23.370
flat angles C4'-P-C4' energy: -23.733
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: 0.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -498.569261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.569261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.569261 (E_RNA)
where:
Base-Base interactions energy: -355.523
where: short stacking energy: -151.207
Base-Backbone interact. energy: -1.046
local terms energy: -141.999401
where:
bonds (distance) C4'-P energy: -25.990
bonds (distance) P-C4' energy: -26.596
flat angles C4'-P-C4' energy: -27.460
flat angles P-C4'-P energy: -18.683
tors. eta vs tors. theta energy: -43.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -474.410001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.410001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.410001 (E_RNA)
where:
Base-Base interactions energy: -327.902
where: short stacking energy: -139.855
Base-Backbone interact. energy: -0.582
local terms energy: -145.925713
where:
bonds (distance) C4'-P energy: -29.306
bonds (distance) P-C4' energy: -30.106
flat angles C4'-P-C4' energy: -25.973
flat angles P-C4'-P energy: -23.121
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: 8
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -418.397071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.397071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.397071 (E_RNA)
where:
Base-Base interactions energy: -295.194
where: short stacking energy: -130.467
Base-Backbone interact. energy: -1.029
local terms energy: -122.174634
where:
bonds (distance) C4'-P energy: -23.428
bonds (distance) P-C4' energy: -26.324
flat angles C4'-P-C4' energy: -27.263
flat angles P-C4'-P energy: -12.220
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: 4, replica: 7
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -372.966017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.966017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.966017 (E_RNA)
where:
Base-Base interactions energy: -245.947
where: short stacking energy: -108.655
Base-Backbone interact. energy: -0.778
local terms energy: -126.240795
where:
bonds (distance) C4'-P energy: -28.250
bonds (distance) P-C4' energy: -28.827
flat angles C4'-P-C4' energy: -24.013
flat angles P-C4'-P energy: -20.540
tors. eta vs tors. theta energy: -24.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -377.024163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.024163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.024163 (E_RNA)
where:
Base-Base interactions energy: -263.758
where: short stacking energy: -81.904
Base-Backbone interact. energy: -2.101
local terms energy: -111.165003
where:
bonds (distance) C4'-P energy: -28.287
bonds (distance) P-C4' energy: -20.465
flat angles C4'-P-C4' energy: -31.252
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -16.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -339.270674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.270674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.270674 (E_RNA)
where:
Base-Base interactions energy: -222.442
where: short stacking energy: -103.093
Base-Backbone interact. energy: -0.158
local terms energy: -116.670347
where:
bonds (distance) C4'-P energy: -20.488
bonds (distance) P-C4' energy: -23.853
flat angles C4'-P-C4' energy: -28.993
flat angles P-C4'-P energy: -18.100
tors. eta vs tors. theta energy: -25.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -298.626387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.626387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.626387 (E_RNA)
where:
Base-Base interactions energy: -184.237
where: short stacking energy: -77.997
Base-Backbone interact. energy: -0.272
local terms energy: -114.117522
where:
bonds (distance) C4'-P energy: -26.604
bonds (distance) P-C4' energy: -22.276
flat angles C4'-P-C4' energy: -27.853
flat angles P-C4'-P energy: -18.978
tors. eta vs tors. theta energy: -18.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -211.381640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.381640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.381640 (E_RNA)
where:
Base-Base interactions energy: -134.291
where: short stacking energy: -74.890
Base-Backbone interact. energy: -0.374
local terms energy: -76.716196
where:
bonds (distance) C4'-P energy: -20.825
bonds (distance) P-C4' energy: -27.911
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -5.436
tors. eta vs tors. theta energy: -7.515
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: 9, replica: 4
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -234.889377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.889377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.889377 (E_RNA)
where:
Base-Base interactions energy: -120.832
where: short stacking energy: -68.020
Base-Backbone interact. energy: -0.710
local terms energy: -113.347791
where:
bonds (distance) C4'-P energy: -28.945
bonds (distance) P-C4' energy: -25.781
flat angles C4'-P-C4' energy: -28.112
flat angles P-C4'-P energy: -17.420
tors. eta vs tors. theta energy: -13.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -138.782851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.782851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.782851 (E_RNA)
where:
Base-Base interactions energy: -61.779
where: short stacking energy: -46.837
Base-Backbone interact. energy: 0.161
local terms energy: -77.165616
where:
bonds (distance) C4'-P energy: -22.628
bonds (distance) P-C4' energy: -24.099
flat angles C4'-P-C4' energy: -26.020
flat angles P-C4'-P energy: -5.998
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: 1, replica: 6
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -490.443616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.443616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.443616 (E_RNA)
where:
Base-Base interactions energy: -348.833
where: short stacking energy: -142.779
Base-Backbone interact. energy: -0.194
local terms energy: -141.416396
where:
bonds (distance) C4'-P energy: -23.843
bonds (distance) P-C4' energy: -24.958
flat angles C4'-P-C4' energy: -28.746
flat angles P-C4'-P energy: -22.599
tors. eta vs tors. theta energy: -41.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -471.444210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.444210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.444210 (E_RNA)
where:
Base-Base interactions energy: -333.186
where: short stacking energy: -138.026
Base-Backbone interact. energy: -0.243
local terms energy: -138.014999
where:
bonds (distance) C4'-P energy: -21.220
bonds (distance) P-C4' energy: -32.514
flat angles C4'-P-C4' energy: -27.125
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -41.833
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: 3, replica: 8
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -417.427180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.427180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.427180 (E_RNA)
where:
Base-Base interactions energy: -294.808
where: short stacking energy: -126.444
Base-Backbone interact. energy: -1.597
local terms energy: -121.022922
where:
bonds (distance) C4'-P energy: -23.917
bonds (distance) P-C4' energy: -27.016
flat angles C4'-P-C4' energy: -22.485
flat angles P-C4'-P energy: -17.455
tors. eta vs tors. theta energy: -30.150
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: 7
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -380.925620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.925620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.925620 (E_RNA)
where:
Base-Base interactions energy: -247.068
where: short stacking energy: -105.586
Base-Backbone interact. energy: -0.629
local terms energy: -133.228011
where:
bonds (distance) C4'-P energy: -27.765
bonds (distance) P-C4' energy: -26.422
flat angles C4'-P-C4' energy: -26.433
flat angles P-C4'-P energy: -23.808
tors. eta vs tors. theta energy: -28.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -384.072632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.072632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.072632 (E_RNA)
where:
Base-Base interactions energy: -261.813
where: short stacking energy: -97.849
Base-Backbone interact. energy: 2.846
local terms energy: -125.105595
where:
bonds (distance) C4'-P energy: -25.213
bonds (distance) P-C4' energy: -30.621
flat angles C4'-P-C4' energy: -30.827
flat angles P-C4'-P energy: -16.191
tors. eta vs tors. theta energy: -22.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -335.177146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.177146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.177146 (E_RNA)
where:
Base-Base interactions energy: -209.745
where: short stacking energy: -112.480
Base-Backbone interact. energy: -0.131
local terms energy: -125.300758
where:
bonds (distance) C4'-P energy: -28.578
bonds (distance) P-C4' energy: -27.107
flat angles C4'-P-C4' energy: -21.058
flat angles P-C4'-P energy: -19.287
tors. eta vs tors. theta energy: -29.270
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: 5
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -304.216078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.216078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.216078 (E_RNA)
where:
Base-Base interactions energy: -199.325
where: short stacking energy: -96.746
Base-Backbone interact. energy: -0.177
local terms energy: -104.713868
where:
bonds (distance) C4'-P energy: -18.358
bonds (distance) P-C4' energy: -20.455
flat angles C4'-P-C4' energy: -24.415
flat angles P-C4'-P energy: -17.943
tors. eta vs tors. theta energy: -23.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -219.187558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.187558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.187558 (E_RNA)
where:
Base-Base interactions energy: -124.606
where: short stacking energy: -70.506
Base-Backbone interact. energy: -0.420
local terms energy: -94.162320
where:
bonds (distance) C4'-P energy: -19.958
bonds (distance) P-C4' energy: -25.560
flat angles C4'-P-C4' energy: -24.012
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -11.563
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: 4
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -225.370600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.370600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.370600 (E_RNA)
where:
Base-Base interactions energy: -128.648
where: short stacking energy: -72.055
Base-Backbone interact. energy: 2.309
local terms energy: -99.031539
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -31.273
flat angles C4'-P-C4' energy: -26.937
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -13.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -137.373023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.373023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.373023 (E_RNA)
where:
Base-Base interactions energy: -49.267
where: short stacking energy: -47.214
Base-Backbone interact. energy: -0.240
local terms energy: -87.866174
where:
bonds (distance) C4'-P energy: -17.863
bonds (distance) P-C4' energy: -28.953
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: -11.461
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: 6
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -496.842510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.842510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.842510 (E_RNA)
where:
Base-Base interactions energy: -337.974
where: short stacking energy: -136.773
Base-Backbone interact. energy: -0.256
local terms energy: -158.612260
where:
bonds (distance) C4'-P energy: -31.559
bonds (distance) P-C4' energy: -30.626
flat angles C4'-P-C4' energy: -30.214
flat angles P-C4'-P energy: -26.593
tors. eta vs tors. theta energy: -39.620
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: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -470.455911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.455911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.455911 (E_RNA)
where:
Base-Base interactions energy: -318.724
where: short stacking energy: -132.354
Base-Backbone interact. energy: -1.364
local terms energy: -150.367860
where:
bonds (distance) C4'-P energy: -28.726
bonds (distance) P-C4' energy: -31.991
flat angles C4'-P-C4' energy: -31.480
flat angles P-C4'-P energy: -22.835
tors. eta vs tors. theta energy: -35.337
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: 8
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -425.772969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.772969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.772969 (E_RNA)
where:
Base-Base interactions energy: -284.717
where: short stacking energy: -120.770
Base-Backbone interact. energy: 1.114
local terms energy: -142.170765
where:
bonds (distance) C4'-P energy: -25.800
bonds (distance) P-C4' energy: -32.313
flat angles C4'-P-C4' energy: -31.357
flat angles P-C4'-P energy: -19.534
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: 4, replica: 7
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -353.210261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.210261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.210261 (E_RNA)
where:
Base-Base interactions energy: -221.478
where: short stacking energy: -100.235
Base-Backbone interact. energy: -1.046
local terms energy: -130.685910
where:
bonds (distance) C4'-P energy: -29.412
bonds (distance) P-C4' energy: -31.357
flat angles C4'-P-C4' energy: -30.564
flat angles P-C4'-P energy: -20.180
tors. eta vs tors. theta energy: -19.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -381.932041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.932041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.932041 (E_RNA)
where:
Base-Base interactions energy: -265.209
where: short stacking energy: -100.375
Base-Backbone interact. energy: 1.834
local terms energy: -118.557129
where:
bonds (distance) C4'-P energy: -24.752
bonds (distance) P-C4' energy: -26.506
flat angles C4'-P-C4' energy: -21.520
flat angles P-C4'-P energy: -22.667
tors. eta vs tors. theta energy: -23.112
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: 5
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -344.264379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.264379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.264379 (E_RNA)
where:
Base-Base interactions energy: -238.280
where: short stacking energy: -93.706
Base-Backbone interact. energy: -1.020
local terms energy: -104.965224
where:
bonds (distance) C4'-P energy: -29.184
bonds (distance) P-C4' energy: -22.487
flat angles C4'-P-C4' energy: -24.886
flat angles P-C4'-P energy: -17.433
tors. eta vs tors. theta energy: -10.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -313.325628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.325628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.325628 (E_RNA)
where:
Base-Base interactions energy: -205.442
where: short stacking energy: -102.957
Base-Backbone interact. energy: 0.230
local terms energy: -108.113741
where:
bonds (distance) C4'-P energy: -18.858
bonds (distance) P-C4' energy: -21.751
flat angles C4'-P-C4' energy: -23.380
flat angles P-C4'-P energy: -19.022
tors. eta vs tors. theta energy: -25.103
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: 4
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -225.160779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.160779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.160779 (E_RNA)
where:
Base-Base interactions energy: -121.436
where: short stacking energy: -72.979
Base-Backbone interact. energy: 0.801
local terms energy: -104.525958
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -28.292
flat angles C4'-P-C4' energy: -27.737
flat angles P-C4'-P energy: -22.264
tors. eta vs tors. theta energy: -10.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -201.481157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.481157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.481157 (E_RNA)
where:
Base-Base interactions energy: -114.380
where: short stacking energy: -52.476
Base-Backbone interact. energy: 1.321
local terms energy: -88.422762
where:
bonds (distance) C4'-P energy: -25.322
bonds (distance) P-C4' energy: -26.722
flat angles C4'-P-C4' energy: -24.738
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: 2.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -138.770068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.770068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.770068 (E_RNA)
where:
Base-Base interactions energy: -75.265
where: short stacking energy: -31.400
Base-Backbone interact. energy: -0.711
local terms energy: -62.793920
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -23.780
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: 2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -501.184832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.184832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.184832 (E_RNA)
where:
Base-Base interactions energy: -349.581
where: short stacking energy: -137.848
Base-Backbone interact. energy: 0.231
local terms energy: -151.834958
where:
bonds (distance) C4'-P energy: -31.675
bonds (distance) P-C4' energy: -29.040
flat angles C4'-P-C4' energy: -28.630
flat angles P-C4'-P energy: -20.346
tors. eta vs tors. theta energy: -42.144
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: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -492.292757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.292757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.292757 (E_RNA)
where:
Base-Base interactions energy: -358.034
where: short stacking energy: -145.452
Base-Backbone interact. energy: 0.998
local terms energy: -135.256682
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -30.285
flat angles C4'-P-C4' energy: -24.751
flat angles P-C4'-P energy: -19.169
tors. eta vs tors. theta energy: -39.587
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: 3, replica: 8
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -426.555502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.555502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.555502 (E_RNA)
where:
Base-Base interactions energy: -291.877
where: short stacking energy: -130.716
Base-Backbone interact. energy: -1.262
local terms energy: -133.416122
where:
bonds (distance) C4'-P energy: -25.979
bonds (distance) P-C4' energy: -26.909
flat angles C4'-P-C4' energy: -30.442
flat angles P-C4'-P energy: -24.068
tors. eta vs tors. theta energy: -26.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -379.021537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.021537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.021537 (E_RNA)
where:
Base-Base interactions energy: -254.375
where: short stacking energy: -107.451
Base-Backbone interact. energy: -0.752
local terms energy: -123.894014
where:
bonds (distance) C4'-P energy: -22.416
bonds (distance) P-C4' energy: -22.335
flat angles C4'-P-C4' energy: -30.719
flat angles P-C4'-P energy: -20.648
tors. eta vs tors. theta energy: -27.776
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: 5, replica: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -360.628536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.628536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.628536 (E_RNA)
where:
Base-Base interactions energy: -228.169
where: short stacking energy: -108.768
Base-Backbone interact. energy: -0.731
local terms energy: -131.728505
where:
bonds (distance) C4'-P energy: -25.013
bonds (distance) P-C4' energy: -28.641
flat angles C4'-P-C4' energy: -34.017
flat angles P-C4'-P energy: -16.586
tors. eta vs tors. theta energy: -27.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -340.978757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.978757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.978757 (E_RNA)
where:
Base-Base interactions energy: -237.470
where: short stacking energy: -93.323
Base-Backbone interact. energy: 0.293
local terms energy: -103.801833
where:
bonds (distance) C4'-P energy: -21.838
bonds (distance) P-C4' energy: -22.367
flat angles C4'-P-C4' energy: -26.683
flat angles P-C4'-P energy: -15.448
tors. eta vs tors. theta energy: -17.465
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: 34
Temperature: 1.200000
Total energy: -276.650144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.650144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.650144 (E_RNA)
where:
Base-Base interactions energy: -158.699
where: short stacking energy: -94.879
Base-Backbone interact. energy: -0.656
local terms energy: -117.294645
where:
bonds (distance) C4'-P energy: -24.146
bonds (distance) P-C4' energy: -29.369
flat angles C4'-P-C4' energy: -28.918
flat angles P-C4'-P energy: -17.458
tors. eta vs tors. theta energy: -17.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -243.764873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.764873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.764873 (E_RNA)
where:
Base-Base interactions energy: -163.915
where: short stacking energy: -67.075
Base-Backbone interact. energy: -0.958
local terms energy: -78.892115
where:
bonds (distance) C4'-P energy: -21.147
bonds (distance) P-C4' energy: -18.412
flat angles C4'-P-C4' energy: -22.466
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -9.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -202.439688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.439688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.439688 (E_RNA)
where:
Base-Base interactions energy: -117.301
where: short stacking energy: -65.844
Base-Backbone interact. energy: -0.132
local terms energy: -85.007324
where:
bonds (distance) C4'-P energy: -27.526
bonds (distance) P-C4' energy: -23.320
flat angles C4'-P-C4' energy: -20.787
flat angles P-C4'-P energy: -7.336
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: 34
Temperature: 1.350000
Total energy: -132.732481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.732481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.732481 (E_RNA)
where:
Base-Base interactions energy: -47.404
where: short stacking energy: -38.488
Base-Backbone interact. energy: -0.531
local terms energy: -84.797899
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -22.980
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -18.994
tors. eta vs tors. theta energy: -6.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -504.467238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.467238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.467238 (E_RNA)
where:
Base-Base interactions energy: -359.794
where: short stacking energy: -143.358
Base-Backbone interact. energy: -1.035
local terms energy: -143.637993
where:
bonds (distance) C4'-P energy: -27.769
bonds (distance) P-C4' energy: -27.421
flat angles C4'-P-C4' energy: -30.790
flat angles P-C4'-P energy: -18.820
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: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -482.820577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.820577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.820577 (E_RNA)
where:
Base-Base interactions energy: -343.491
where: short stacking energy: -133.458
Base-Backbone interact. energy: -1.981
local terms energy: -137.348666
where:
bonds (distance) C4'-P energy: -24.540
bonds (distance) P-C4' energy: -26.896
flat angles C4'-P-C4' energy: -33.657
flat angles P-C4'-P energy: -17.003
tors. eta vs tors. theta energy: -35.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -443.643419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.643419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.643419 (E_RNA)
where:
Base-Base interactions energy: -306.370
where: short stacking energy: -138.438
Base-Backbone interact. energy: -0.322
local terms energy: -136.951105
where:
bonds (distance) C4'-P energy: -29.321
bonds (distance) P-C4' energy: -30.029
flat angles C4'-P-C4' energy: -29.667
flat angles P-C4'-P energy: -15.198
tors. eta vs tors. theta energy: -32.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -393.475791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.475791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.475791 (E_RNA)
where:
Base-Base interactions energy: -264.412
where: short stacking energy: -123.863
Base-Backbone interact. energy: -0.843
local terms energy: -128.221777
where:
bonds (distance) C4'-P energy: -21.954
bonds (distance) P-C4' energy: -30.178
flat angles C4'-P-C4' energy: -30.821
flat angles P-C4'-P energy: -19.283
tors. eta vs tors. theta energy: -25.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -392.167119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.167119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.167119 (E_RNA)
where:
Base-Base interactions energy: -264.199
where: short stacking energy: -119.105
Base-Backbone interact. energy: -0.225
local terms energy: -127.743888
where:
bonds (distance) C4'-P energy: -26.959
bonds (distance) P-C4' energy: -30.132
flat angles C4'-P-C4' energy: -22.683
flat angles P-C4'-P energy: -22.552
tors. eta vs tors. theta energy: -25.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -346.810751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.810751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.810751 (E_RNA)
where:
Base-Base interactions energy: -243.689
where: short stacking energy: -91.469
Base-Backbone interact. energy: -0.087
local terms energy: -103.034968
where:
bonds (distance) C4'-P energy: -21.157
bonds (distance) P-C4' energy: -28.149
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -17.810
tors. eta vs tors. theta energy: -15.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -281.689480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.689480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.689480 (E_RNA)
where:
Base-Base interactions energy: -165.378
where: short stacking energy: -93.574
Base-Backbone interact. energy: -0.256
local terms energy: -116.055418
where:
bonds (distance) C4'-P energy: -19.995
bonds (distance) P-C4' energy: -31.135
flat angles C4'-P-C4' energy: -27.430
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: -24.364
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: 8, replica: 4
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -212.492689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.492689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.492689 (E_RNA)
where:
Base-Base interactions energy: -114.965
where: short stacking energy: -64.285
Base-Backbone interact. energy: 0.031
local terms energy: -97.558039
where:
bonds (distance) C4'-P energy: -27.539
bonds (distance) P-C4' energy: -27.731
flat angles C4'-P-C4' energy: -21.693
flat angles P-C4'-P energy: -16.325
tors. eta vs tors. theta energy: -4.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -204.615738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.615738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.615738 (E_RNA)
where:
Base-Base interactions energy: -106.332
where: short stacking energy: -56.555
Base-Backbone interact. energy: 0.424
local terms energy: -98.707830
where:
bonds (distance) C4'-P energy: -26.493
bonds (distance) P-C4' energy: -30.589
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -19.997
tors. eta vs tors. theta energy: -4.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -149.610828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.610828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.610828 (E_RNA)
where:
Base-Base interactions energy: -65.720
where: short stacking energy: -56.545
Base-Backbone interact. energy: -0.222
local terms energy: -83.668916
where:
bonds (distance) C4'-P energy: -17.749
bonds (distance) P-C4' energy: -26.255
flat angles C4'-P-C4' energy: -22.192
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -5.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -507.857340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.857340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.857340 (E_RNA)
where:
Base-Base interactions energy: -353.086
where: short stacking energy: -153.964
Base-Backbone interact. energy: -1.071
local terms energy: -153.699772
where:
bonds (distance) C4'-P energy: -28.851
bonds (distance) P-C4' energy: -28.196
flat angles C4'-P-C4' energy: -31.846
flat angles P-C4'-P energy: -26.492
tors. eta vs tors. theta energy: -38.315
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: 1
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -485.848119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.848119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.848119 (E_RNA)
where:
Base-Base interactions energy: -350.428
where: short stacking energy: -138.944
Base-Backbone interact. energy: -1.412
local terms energy: -134.007951
where:
bonds (distance) C4'-P energy: -27.676
bonds (distance) P-C4' energy: -22.635
flat angles C4'-P-C4' energy: -24.564
flat angles P-C4'-P energy: -20.212
tors. eta vs tors. theta energy: -38.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -441.733931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.733931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.733931 (E_RNA)
where:
Base-Base interactions energy: -310.989
where: short stacking energy: -132.068
Base-Backbone interact. energy: -1.519
local terms energy: -129.226447
where:
bonds (distance) C4'-P energy: -26.227
bonds (distance) P-C4' energy: -24.145
flat angles C4'-P-C4' energy: -29.220
flat angles P-C4'-P energy: -15.081
tors. eta vs tors. theta energy: -34.553
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: 7
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -395.231911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.231911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.231911 (E_RNA)
where:
Base-Base interactions energy: -263.787
where: short stacking energy: -117.318
Base-Backbone interact. energy: -0.725
local terms energy: -130.720356
where:
bonds (distance) C4'-P energy: -25.405
bonds (distance) P-C4' energy: -27.494
flat angles C4'-P-C4' energy: -29.601
flat angles P-C4'-P energy: -18.244
tors. eta vs tors. theta energy: -29.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -399.503549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.503549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.503549 (E_RNA)
where:
Base-Base interactions energy: -265.158
where: short stacking energy: -125.788
Base-Backbone interact. energy: -0.064
local terms energy: -134.281452
where:
bonds (distance) C4'-P energy: -29.204
bonds (distance) P-C4' energy: -24.340
flat angles C4'-P-C4' energy: -28.351
flat angles P-C4'-P energy: -18.451
tors. eta vs tors. theta energy: -33.935
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: 3
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -323.544704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.544704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.544704 (E_RNA)
where:
Base-Base interactions energy: -210.055
where: short stacking energy: -93.099
Base-Backbone interact. energy: 0.517
local terms energy: -114.006407
where:
bonds (distance) C4'-P energy: -20.985
bonds (distance) P-C4' energy: -26.033
flat angles C4'-P-C4' energy: -28.344
flat angles P-C4'-P energy: -16.632
tors. eta vs tors. theta energy: -22.012
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: 2
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -286.919167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.919167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.919167 (E_RNA)
where:
Base-Base interactions energy: -180.780
where: short stacking energy: -81.544
Base-Backbone interact. energy: -0.154
local terms energy: -105.985007
where:
bonds (distance) C4'-P energy: -27.544
bonds (distance) P-C4' energy: -28.084
flat angles C4'-P-C4' energy: -20.604
flat angles P-C4'-P energy: -16.015
tors. eta vs tors. theta energy: -13.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -224.679752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.679752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.679752 (E_RNA)
where:
Base-Base interactions energy: -119.797
where: short stacking energy: -75.337
Base-Backbone interact. energy: -0.489
local terms energy: -104.393735
where:
bonds (distance) C4'-P energy: -21.919
bonds (distance) P-C4' energy: -28.272
flat angles C4'-P-C4' energy: -21.414
flat angles P-C4'-P energy: -23.296
tors. eta vs tors. theta energy: -9.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -196.221693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.221693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.221693 (E_RNA)
where:
Base-Base interactions energy: -99.706
where: short stacking energy: -51.384
Base-Backbone interact. energy: -0.415
local terms energy: -96.100084
where:
bonds (distance) C4'-P energy: -25.217
bonds (distance) P-C4' energy: -25.230
flat angles C4'-P-C4' energy: -27.617
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -8.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -134.566416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.566416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.566416 (E_RNA)
where:
Base-Base interactions energy: -43.581
where: short stacking energy: -41.216
Base-Backbone interact. energy: -0.072
local terms energy: -90.912852
where:
bonds (distance) C4'-P energy: -21.359
bonds (distance) P-C4' energy: -29.690
flat angles C4'-P-C4' energy: -23.642
flat angles P-C4'-P energy: -8.268
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: 6
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -492.312833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.312833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.312833 (E_RNA)
where:
Base-Base interactions energy: -338.302
where: short stacking energy: -140.419
Base-Backbone interact. energy: -0.741
local terms energy: -153.270280
where:
bonds (distance) C4'-P energy: -28.889
bonds (distance) P-C4' energy: -26.053
flat angles C4'-P-C4' energy: -35.264
flat angles P-C4'-P energy: -23.055
tors. eta vs tors. theta energy: -40.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -437.162634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.162634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.162634 (E_RNA)
where:
Base-Base interactions energy: -298.722
where: short stacking energy: -124.048
Base-Backbone interact. energy: -0.265
local terms energy: -138.176068
where:
bonds (distance) C4'-P energy: -28.139
bonds (distance) P-C4' energy: -27.462
flat angles C4'-P-C4' energy: -32.538
flat angles P-C4'-P energy: -20.580
tors. eta vs tors. theta energy: -29.457
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: 3, replica: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -476.158484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.158484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.158484 (E_RNA)
where:
Base-Base interactions energy: -339.464
where: short stacking energy: -138.922
Base-Backbone interact. energy: -0.753
local terms energy: -135.941330
where:
bonds (distance) C4'-P energy: -26.698
bonds (distance) P-C4' energy: -21.671
flat angles C4'-P-C4' energy: -31.233
flat angles P-C4'-P energy: -19.477
tors. eta vs tors. theta energy: -36.862
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: 5
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -393.381215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.381215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.381215 (E_RNA)
where:
Base-Base interactions energy: -251.937
where: short stacking energy: -121.056
Base-Backbone interact. energy: -1.608
local terms energy: -139.835962
where:
bonds (distance) C4'-P energy: -29.914
bonds (distance) P-C4' energy: -26.284
flat angles C4'-P-C4' energy: -28.844
flat angles P-C4'-P energy: -21.086
tors. eta vs tors. theta energy: -33.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -384.493550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.493550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.493550 (E_RNA)
where:
Base-Base interactions energy: -250.795
where: short stacking energy: -122.548
Base-Backbone interact. energy: -0.632
local terms energy: -133.066520
where:
bonds (distance) C4'-P energy: -30.776
bonds (distance) P-C4' energy: -22.561
flat angles C4'-P-C4' energy: -30.218
flat angles P-C4'-P energy: -16.128
tors. eta vs tors. theta energy: -33.383
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: 6, replica: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -267.205882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.205882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.205882 (E_RNA)
where:
Base-Base interactions energy: -148.591
where: short stacking energy: -85.242
Base-Backbone interact. energy: -1.416
local terms energy: -117.199080
where:
bonds (distance) C4'-P energy: -23.312
bonds (distance) P-C4' energy: -28.038
flat angles C4'-P-C4' energy: -27.173
flat angles P-C4'-P energy: -14.553
tors. eta vs tors. theta energy: -24.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -313.457720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.457720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.457720 (E_RNA)
where:
Base-Base interactions energy: -204.502
where: short stacking energy: -89.704
Base-Backbone interact. energy: -1.860
local terms energy: -107.095353
where:
bonds (distance) C4'-P energy: -29.641
bonds (distance) P-C4' energy: -27.225
flat angles C4'-P-C4' energy: -21.867
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -16.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -222.970656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.970656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.970656 (E_RNA)
where:
Base-Base interactions energy: -121.715
where: short stacking energy: -53.771
Base-Backbone interact. energy: -0.444
local terms energy: -100.811411
where:
bonds (distance) C4'-P energy: -23.224
bonds (distance) P-C4' energy: -24.649
flat angles C4'-P-C4' energy: -31.554
flat angles P-C4'-P energy: -15.065
tors. eta vs tors. theta energy: -6.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -216.537289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.537289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.537289 (E_RNA)
where:
Base-Base interactions energy: -129.797
where: short stacking energy: -65.569
Base-Backbone interact. energy: 1.085
local terms energy: -87.825282
where:
bonds (distance) C4'-P energy: -19.529
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -25.623
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -8.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -129.266665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.266665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.266665 (E_RNA)
where:
Base-Base interactions energy: -45.527
where: short stacking energy: -41.811
Base-Backbone interact. energy: -0.194
local terms energy: -83.545365
where:
bonds (distance) C4'-P energy: -28.043
bonds (distance) P-C4' energy: -25.827
flat angles C4'-P-C4' energy: -21.456
flat angles P-C4'-P energy: -12.924
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: 38
Temperature: 0.900000
Total energy: -505.469020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.469020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.469020 (E_RNA)
where:
Base-Base interactions energy: -353.523
where: short stacking energy: -157.807
Base-Backbone interact. energy: -0.891
local terms energy: -151.054787
where:
bonds (distance) C4'-P energy: -30.463
bonds (distance) P-C4' energy: -25.880
flat angles C4'-P-C4' energy: -33.594
flat angles P-C4'-P energy: -20.046
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: 2, replica: 8
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -439.100650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.100650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.100650 (E_RNA)
where:
Base-Base interactions energy: -289.286
where: short stacking energy: -129.661
Base-Backbone interact. energy: -0.627
local terms energy: -149.187181
where:
bonds (distance) C4'-P energy: -28.480
bonds (distance) P-C4' energy: -29.517
flat angles C4'-P-C4' energy: -31.818
flat angles P-C4'-P energy: -23.716
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: 3, replica: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -480.884105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.884105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.884105 (E_RNA)
where:
Base-Base interactions energy: -344.360
where: short stacking energy: -140.654
Base-Backbone interact. energy: 2.863
local terms energy: -139.386813
where:
bonds (distance) C4'-P energy: -28.725
bonds (distance) P-C4' energy: -25.208
flat angles C4'-P-C4' energy: -29.359
flat angles P-C4'-P energy: -17.780
tors. eta vs tors. theta energy: -38.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -400.611162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.611162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.611162 (E_RNA)
where:
Base-Base interactions energy: -259.093
where: short stacking energy: -118.143
Base-Backbone interact. energy: -0.966
local terms energy: -140.551569
where:
bonds (distance) C4'-P energy: -29.330
bonds (distance) P-C4' energy: -25.759
flat angles C4'-P-C4' energy: -30.958
flat angles P-C4'-P energy: -22.098
tors. eta vs tors. theta energy: -32.407
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: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -406.149772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.149772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.149772 (E_RNA)
where:
Base-Base interactions energy: -271.391
where: short stacking energy: -128.487
Base-Backbone interact. energy: -0.229
local terms energy: -134.530016
where:
bonds (distance) C4'-P energy: -27.964
bonds (distance) P-C4' energy: -26.451
flat angles C4'-P-C4' energy: -23.559
flat angles P-C4'-P energy: -22.625
tors. eta vs tors. theta energy: -33.931
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: 38
Temperature: 1.150000
Total energy: -252.833130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.833130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.833130 (E_RNA)
where:
Base-Base interactions energy: -151.242
where: short stacking energy: -90.906
Base-Backbone interact. energy: -0.807
local terms energy: -100.784617
where:
bonds (distance) C4'-P energy: -24.315
bonds (distance) P-C4' energy: -24.487
flat angles C4'-P-C4' energy: -27.015
flat angles P-C4'-P energy: -6.190
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: 3
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -308.520336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.520336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.520336 (E_RNA)
where:
Base-Base interactions energy: -206.255
where: short stacking energy: -85.208
Base-Backbone interact. energy: 0.079
local terms energy: -102.344905
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -30.937
flat angles C4'-P-C4' energy: -28.870
flat angles P-C4'-P energy: -14.923
tors. eta vs tors. theta energy: -9.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -236.734935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.734935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.734935 (E_RNA)
where:
Base-Base interactions energy: -144.111
where: short stacking energy: -72.980
Base-Backbone interact. energy: -0.357
local terms energy: -92.266862
where:
bonds (distance) C4'-P energy: -23.143
bonds (distance) P-C4' energy: -23.686
flat angles C4'-P-C4' energy: -22.506
flat angles P-C4'-P energy: -16.993
tors. eta vs tors. theta energy: -5.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -205.757426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.757426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.757426 (E_RNA)
where:
Base-Base interactions energy: -104.336
where: short stacking energy: -54.816
Base-Backbone interact. energy: -1.000
local terms energy: -100.421624
where:
bonds (distance) C4'-P energy: -24.643
bonds (distance) P-C4' energy: -29.303
flat angles C4'-P-C4' energy: -27.455
flat angles P-C4'-P energy: -15.286
tors. eta vs tors. theta energy: -3.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -143.831023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.831023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.831023 (E_RNA)
where:
Base-Base interactions energy: -49.192
where: short stacking energy: -49.192
Base-Backbone interact. energy: 3.582
local terms energy: -98.220813
where:
bonds (distance) C4'-P energy: -25.482
bonds (distance) P-C4' energy: -29.245
flat angles C4'-P-C4' energy: -21.739
flat angles P-C4'-P energy: -17.416
tors. eta vs tors. theta energy: -4.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -512.327835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.327835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.327835 (E_RNA)
where:
Base-Base interactions energy: -359.851
where: short stacking energy: -151.663
Base-Backbone interact. energy: -0.037
local terms energy: -152.439887
where:
bonds (distance) C4'-P energy: -24.513
bonds (distance) P-C4' energy: -30.838
flat angles C4'-P-C4' energy: -31.751
flat angles P-C4'-P energy: -18.584
tors. eta vs tors. theta energy: -46.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -485.314138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.314138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.314138 (E_RNA)
where:
Base-Base interactions energy: -340.589
where: short stacking energy: -138.339
Base-Backbone interact. energy: -0.779
local terms energy: -143.946042
where:
bonds (distance) C4'-P energy: -27.844
bonds (distance) P-C4' energy: -27.056
flat angles C4'-P-C4' energy: -32.424
flat angles P-C4'-P energy: -16.009
tors. eta vs tors. theta energy: -40.612
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: 8
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -429.357569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.357569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.357569 (E_RNA)
where:
Base-Base interactions energy: -289.303
where: short stacking energy: -119.183
Base-Backbone interact. energy: -1.083
local terms energy: -138.971559
where:
bonds (distance) C4'-P energy: -27.922
bonds (distance) P-C4' energy: -28.264
flat angles C4'-P-C4' energy: -31.729
flat angles P-C4'-P energy: -18.097
tors. eta vs tors. theta energy: -32.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -399.146872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.146872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.146872 (E_RNA)
where:
Base-Base interactions energy: -271.312
where: short stacking energy: -121.517
Base-Backbone interact. energy: 0.097
local terms energy: -127.932646
where:
bonds (distance) C4'-P energy: -29.012
bonds (distance) P-C4' energy: -25.164
flat angles C4'-P-C4' energy: -23.425
flat angles P-C4'-P energy: -19.634
tors. eta vs tors. theta energy: -30.697
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: 5
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -394.900882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.900882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.900882 (E_RNA)
where:
Base-Base interactions energy: -255.904
where: short stacking energy: -115.204
Base-Backbone interact. energy: -0.859
local terms energy: -138.138529
where:
bonds (distance) C4'-P energy: -26.150
bonds (distance) P-C4' energy: -31.063
flat angles C4'-P-C4' energy: -26.990
flat angles P-C4'-P energy: -20.718
tors. eta vs tors. theta energy: -33.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -285.462279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.462279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.462279 (E_RNA)
where:
Base-Base interactions energy: -188.068
where: short stacking energy: -79.466
Base-Backbone interact. energy: -1.308
local terms energy: -96.086543
where:
bonds (distance) C4'-P energy: -20.218
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -26.243
flat angles P-C4'-P energy: -16.158
tors. eta vs tors. theta energy: -15.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -209.068992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.068992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.068992 (E_RNA)
where:
Base-Base interactions energy: -115.163
where: short stacking energy: -54.221
Base-Backbone interact. energy: -1.261
local terms energy: -92.645286
where:
bonds (distance) C4'-P energy: -29.679
bonds (distance) P-C4' energy: -24.497
flat angles C4'-P-C4' energy: -24.334
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -2.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -222.198616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.198616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.198616 (E_RNA)
where:
Base-Base interactions energy: -134.966
where: short stacking energy: -65.329
Base-Backbone interact. energy: -0.383
local terms energy: -86.849555
where:
bonds (distance) C4'-P energy: -18.131
bonds (distance) P-C4' energy: -24.705
flat angles C4'-P-C4' energy: -22.492
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -12.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -217.115075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.115075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.115075 (E_RNA)
where:
Base-Base interactions energy: -134.952
where: short stacking energy: -58.276
Base-Backbone interact. energy: -1.231
local terms energy: -80.931646
where:
bonds (distance) C4'-P energy: -17.965
bonds (distance) P-C4' energy: -21.966
flat angles C4'-P-C4' energy: -21.132
flat angles P-C4'-P energy: -14.246
tors. eta vs tors. theta energy: -5.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -132.485352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.485352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.485352 (E_RNA)
where:
Base-Base interactions energy: -51.018
where: short stacking energy: -36.898
Base-Backbone interact. energy: -0.496
local terms energy: -80.971447
where:
bonds (distance) C4'-P energy: -23.424
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -31.964
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -2.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -488.661538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.661538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.661538 (E_RNA)
where:
Base-Base interactions energy: -355.475
where: short stacking energy: -138.558
Base-Backbone interact. energy: -0.889
local terms energy: -132.297226
where:
bonds (distance) C4'-P energy: -24.802
bonds (distance) P-C4' energy: -24.199
flat angles C4'-P-C4' energy: -30.824
flat angles P-C4'-P energy: -18.845
tors. eta vs tors. theta energy: -33.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -495.355328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.355328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.355328 (E_RNA)
where:
Base-Base interactions energy: -352.652
where: short stacking energy: -147.311
Base-Backbone interact. energy: -0.770
local terms energy: -141.933493
where:
bonds (distance) C4'-P energy: -21.880
bonds (distance) P-C4' energy: -30.911
flat angles C4'-P-C4' energy: -29.498
flat angles P-C4'-P energy: -18.156
tors. eta vs tors. theta energy: -41.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -427.340664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.340664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.340664 (E_RNA)
where:
Base-Base interactions energy: -294.449
where: short stacking energy: -122.017
Base-Backbone interact. energy: -0.527
local terms energy: -132.365206
where:
bonds (distance) C4'-P energy: -26.007
bonds (distance) P-C4' energy: -27.147
flat angles C4'-P-C4' energy: -26.531
flat angles P-C4'-P energy: -19.610
tors. eta vs tors. theta energy: -33.070
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: 7
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -406.249567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.249567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.249567 (E_RNA)
where:
Base-Base interactions energy: -279.255
where: short stacking energy: -117.220
Base-Backbone interact. energy: -1.599
local terms energy: -125.395390
where:
bonds (distance) C4'-P energy: -24.267
bonds (distance) P-C4' energy: -27.874
flat angles C4'-P-C4' energy: -28.308
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -28.243
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: 5
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -401.531061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.531061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.531061 (E_RNA)
where:
Base-Base interactions energy: -269.044
where: short stacking energy: -117.760
Base-Backbone interact. energy: -0.590
local terms energy: -131.896723
where:
bonds (distance) C4'-P energy: -24.592
bonds (distance) P-C4' energy: -29.061
flat angles C4'-P-C4' energy: -29.271
flat angles P-C4'-P energy: -21.290
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: 6, replica: 3
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -310.355513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.355513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.355513 (E_RNA)
where:
Base-Base interactions energy: -220.805
where: short stacking energy: -80.949
Base-Backbone interact. energy: 1.129
local terms energy: -90.679539
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -25.585
flat angles C4'-P-C4' energy: -23.136
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -13.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -224.274811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.274811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.274811 (E_RNA)
where:
Base-Base interactions energy: -105.372
where: short stacking energy: -72.102
Base-Backbone interact. energy: -0.375
local terms energy: -118.527354
where:
bonds (distance) C4'-P energy: -26.657
bonds (distance) P-C4' energy: -28.225
flat angles C4'-P-C4' energy: -29.849
flat angles P-C4'-P energy: -19.459
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: 8, replica: 4
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -220.776807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.776807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.776807 (E_RNA)
where:
Base-Base interactions energy: -120.187
where: short stacking energy: -62.027
Base-Backbone interact. energy: -0.357
local terms energy: -100.232851
where:
bonds (distance) C4'-P energy: -24.235
bonds (distance) P-C4' energy: -30.738
flat angles C4'-P-C4' energy: -24.904
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -6.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -193.422445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.422445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.422445 (E_RNA)
where:
Base-Base interactions energy: -98.564
where: short stacking energy: -52.065
Base-Backbone interact. energy: -0.378
local terms energy: -94.479590
where:
bonds (distance) C4'-P energy: -27.431
bonds (distance) P-C4' energy: -29.730
flat angles C4'-P-C4' energy: -24.387
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -4.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -128.788977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.788977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.788977 (E_RNA)
where:
Base-Base interactions energy: -50.601
where: short stacking energy: -50.601
Base-Backbone interact. energy: -0.294
local terms energy: -77.894732
where:
bonds (distance) C4'-P energy: -30.718
bonds (distance) P-C4' energy: -25.137
flat angles C4'-P-C4' energy: -18.206
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: 2.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -505.245521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.245521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.245521 (E_RNA)
where:
Base-Base interactions energy: -366.524
where: short stacking energy: -150.465
Base-Backbone interact. energy: -0.697
local terms energy: -138.024651
where:
bonds (distance) C4'-P energy: -29.021
bonds (distance) P-C4' energy: -30.301
flat angles C4'-P-C4' energy: -27.606
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: -36.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -505.131460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.131460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.131460 (E_RNA)
where:
Base-Base interactions energy: -365.146
where: short stacking energy: -149.770
Base-Backbone interact. energy: -0.025
local terms energy: -139.961252
where:
bonds (distance) C4'-P energy: -24.814
bonds (distance) P-C4' energy: -20.866
flat angles C4'-P-C4' energy: -32.144
flat angles P-C4'-P energy: -19.470
tors. eta vs tors. theta energy: -42.668
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: 8
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -448.023495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.023495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.023495 (E_RNA)
where:
Base-Base interactions energy: -310.057
where: short stacking energy: -123.371
Base-Backbone interact. energy: -1.162
local terms energy: -136.803897
where:
bonds (distance) C4'-P energy: -29.932
bonds (distance) P-C4' energy: -27.249
flat angles C4'-P-C4' energy: -26.176
flat angles P-C4'-P energy: -21.642
tors. eta vs tors. theta energy: -31.805
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: 7
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -423.129370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.129370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.129370 (E_RNA)
where:
Base-Base interactions energy: -284.503
where: short stacking energy: -135.093
Base-Backbone interact. energy: -1.315
local terms energy: -137.310831
where:
bonds (distance) C4'-P energy: -28.508
bonds (distance) P-C4' energy: -23.560
flat angles C4'-P-C4' energy: -29.559
flat angles P-C4'-P energy: -21.204
tors. eta vs tors. theta energy: -34.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -411.074754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.074754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.074754 (E_RNA)
where:
Base-Base interactions energy: -279.607
where: short stacking energy: -116.818
Base-Backbone interact. energy: 2.048
local terms energy: -133.516019
where:
bonds (distance) C4'-P energy: -22.183
bonds (distance) P-C4' energy: -24.185
flat angles C4'-P-C4' energy: -33.927
flat angles P-C4'-P energy: -18.698
tors. eta vs tors. theta energy: -34.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -299.793407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.793407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.793407 (E_RNA)
where:
Base-Base interactions energy: -205.827
where: short stacking energy: -75.453
Base-Backbone interact. energy: -0.790
local terms energy: -93.176227
where:
bonds (distance) C4'-P energy: -28.718
bonds (distance) P-C4' energy: -25.336
flat angles C4'-P-C4' energy: -24.451
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -3.955
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: 2
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -214.284525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.284525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.284525 (E_RNA)
where:
Base-Base interactions energy: -125.808
where: short stacking energy: -72.373
Base-Backbone interact. energy: 0.084
local terms energy: -88.560884
where:
bonds (distance) C4'-P energy: -23.978
bonds (distance) P-C4' energy: -22.476
flat angles C4'-P-C4' energy: -21.281
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -12.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -238.081668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.081668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.081668 (E_RNA)
where:
Base-Base interactions energy: -134.830
where: short stacking energy: -70.496
Base-Backbone interact. energy: 0.591
local terms energy: -103.842927
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -27.643
flat angles C4'-P-C4' energy: -23.410
flat angles P-C4'-P energy: -21.274
tors. eta vs tors. theta energy: -11.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -214.627403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.627403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.627403 (E_RNA)
where:
Base-Base interactions energy: -120.905
where: short stacking energy: -61.611
Base-Backbone interact. energy: -0.063
local terms energy: -93.659012
where:
bonds (distance) C4'-P energy: -28.847
bonds (distance) P-C4' energy: -20.556
flat angles C4'-P-C4' energy: -20.873
flat angles P-C4'-P energy: -14.991
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: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -126.872628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.872628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.872628 (E_RNA)
where:
Base-Base interactions energy: -49.872
where: short stacking energy: -36.376
Base-Backbone interact. energy: -0.253
local terms energy: -76.747480
where:
bonds (distance) C4'-P energy: -21.035
bonds (distance) P-C4' energy: -31.825
flat angles C4'-P-C4' energy: -22.093
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: 8.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -494.783310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.783310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.783310 (E_RNA)
where:
Base-Base interactions energy: -355.839
where: short stacking energy: -145.629
Base-Backbone interact. energy: -1.307
local terms energy: -137.637343
where:
bonds (distance) C4'-P energy: -28.308
bonds (distance) P-C4' energy: -24.084
flat angles C4'-P-C4' energy: -32.015
flat angles P-C4'-P energy: -17.797
tors. eta vs tors. theta energy: -35.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -495.041506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.041506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.041506 (E_RNA)
where:
Base-Base interactions energy: -343.419
where: short stacking energy: -141.415
Base-Backbone interact. energy: -0.099
local terms energy: -151.523581
where:
bonds (distance) C4'-P energy: -28.610
bonds (distance) P-C4' energy: -25.460
flat angles C4'-P-C4' energy: -29.201
flat angles P-C4'-P energy: -26.990
tors. eta vs tors. theta energy: -41.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -446.188780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.188780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.188780 (E_RNA)
where:
Base-Base interactions energy: -315.517
where: short stacking energy: -139.652
Base-Backbone interact. energy: 1.644
local terms energy: -132.315010
where:
bonds (distance) C4'-P energy: -20.794
bonds (distance) P-C4' energy: -23.494
flat angles C4'-P-C4' energy: -27.122
flat angles P-C4'-P energy: -21.377
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: 4, replica: 7
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -406.993685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.993685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.993685 (E_RNA)
where:
Base-Base interactions energy: -280.301
where: short stacking energy: -120.556
Base-Backbone interact. energy: 1.286
local terms energy: -127.979550
where:
bonds (distance) C4'-P energy: -26.285
bonds (distance) P-C4' energy: -31.449
flat angles C4'-P-C4' energy: -28.616
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -27.722
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: 5
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -408.370144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.370144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.370144 (E_RNA)
where:
Base-Base interactions energy: -274.322
where: short stacking energy: -118.554
Base-Backbone interact. energy: -0.151
local terms energy: -133.896398
where:
bonds (distance) C4'-P energy: -27.894
bonds (distance) P-C4' energy: -29.989
flat angles C4'-P-C4' energy: -33.481
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -31.235
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: 6, replica: 3
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -294.227150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.227150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.227150 (E_RNA)
where:
Base-Base interactions energy: -199.825
where: short stacking energy: -78.967
Base-Backbone interact. energy: 0.224
local terms energy: -94.625691
where:
bonds (distance) C4'-P energy: -22.765
bonds (distance) P-C4' energy: -21.945
flat angles C4'-P-C4' energy: -19.511
flat angles P-C4'-P energy: -19.264
tors. eta vs tors. theta energy: -11.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -210.609451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.609451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.609451 (E_RNA)
where:
Base-Base interactions energy: -108.372
where: short stacking energy: -64.361
Base-Backbone interact. energy: -0.376
local terms energy: -101.862232
where:
bonds (distance) C4'-P energy: -26.554
bonds (distance) P-C4' energy: -25.261
flat angles C4'-P-C4' energy: -27.956
flat angles P-C4'-P energy: -15.946
tors. eta vs tors. theta energy: -6.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -240.724707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.724707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.724707 (E_RNA)
where:
Base-Base interactions energy: -147.043
where: short stacking energy: -69.399
Base-Backbone interact. energy: -0.263
local terms energy: -93.419342
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -19.458
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -25.254
tors. eta vs tors. theta energy: -11.575
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: 10
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -228.125505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.125505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.125505 (E_RNA)
where:
Base-Base interactions energy: -129.742
where: short stacking energy: -77.279
Base-Backbone interact. energy: -0.394
local terms energy: -97.988712
where:
bonds (distance) C4'-P energy: -21.426
bonds (distance) P-C4' energy: -27.903
flat angles C4'-P-C4' energy: -26.448
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -6.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -139.793751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.793751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.793751 (E_RNA)
where:
Base-Base interactions energy: -65.135
where: short stacking energy: -45.509
Base-Backbone interact. energy: -0.532
local terms energy: -74.127709
where:
bonds (distance) C4'-P energy: -27.295
bonds (distance) P-C4' energy: -24.201
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: 8.481
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: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -501.111791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.111791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.111791 (E_RNA)
where:
Base-Base interactions energy: -361.614
where: short stacking energy: -144.043
Base-Backbone interact. energy: -0.643
local terms energy: -138.854562
where:
bonds (distance) C4'-P energy: -24.465
bonds (distance) P-C4' energy: -31.240
flat angles C4'-P-C4' energy: -30.499
flat angles P-C4'-P energy: -13.677
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: 2, replica: 6
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -499.042906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.042906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.042906 (E_RNA)
where:
Base-Base interactions energy: -340.743
where: short stacking energy: -155.069
Base-Backbone interact. energy: -0.019
local terms energy: -158.280731
where:
bonds (distance) C4'-P energy: -24.193
bonds (distance) P-C4' energy: -30.481
flat angles C4'-P-C4' energy: -31.937
flat angles P-C4'-P energy: -25.217
tors. eta vs tors. theta energy: -46.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -437.198480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.198480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.198480 (E_RNA)
where:
Base-Base interactions energy: -304.011
where: short stacking energy: -132.903
Base-Backbone interact. energy: -0.447
local terms energy: -132.740517
where:
bonds (distance) C4'-P energy: -24.931
bonds (distance) P-C4' energy: -25.114
flat angles C4'-P-C4' energy: -31.413
flat angles P-C4'-P energy: -21.539
tors. eta vs tors. theta energy: -29.744
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: 4, replica: 5
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -428.649693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.649693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.649693 (E_RNA)
where:
Base-Base interactions energy: -288.101
where: short stacking energy: -127.677
Base-Backbone interact. energy: -0.501
local terms energy: -140.048485
where:
bonds (distance) C4'-P energy: -28.658
bonds (distance) P-C4' energy: -30.216
flat angles C4'-P-C4' energy: -32.519
flat angles P-C4'-P energy: -11.067
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: 5, replica: 7
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -401.816504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.816504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.816504 (E_RNA)
where:
Base-Base interactions energy: -285.319
where: short stacking energy: -118.580
Base-Backbone interact. energy: 0.363
local terms energy: -116.860131
where:
bonds (distance) C4'-P energy: -25.235
bonds (distance) P-C4' energy: -22.730
flat angles C4'-P-C4' energy: -21.015
flat angles P-C4'-P energy: -15.806
tors. eta vs tors. theta energy: -32.074
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: 6, replica: 3
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -307.682232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.682232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.682232 (E_RNA)
where:
Base-Base interactions energy: -201.427
where: short stacking energy: -89.783
Base-Backbone interact. energy: -0.496
local terms energy: -105.759350
where:
bonds (distance) C4'-P energy: -26.370
bonds (distance) P-C4' energy: -27.847
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -13.883
tors. eta vs tors. theta energy: -19.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -251.207174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.207174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.207174 (E_RNA)
where:
Base-Base interactions energy: -150.459
where: short stacking energy: -74.687
Base-Backbone interact. energy: -1.211
local terms energy: -99.536769
where:
bonds (distance) C4'-P energy: -23.601
bonds (distance) P-C4' energy: -26.305
flat angles C4'-P-C4' energy: -29.280
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -6.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -226.755926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.755926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.755926 (E_RNA)
where:
Base-Base interactions energy: -131.018
where: short stacking energy: -68.754
Base-Backbone interact. energy: -0.731
local terms energy: -95.007043
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -23.993
flat angles C4'-P-C4' energy: -26.514
flat angles P-C4'-P energy: -19.950
tors. eta vs tors. theta energy: -7.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -221.553113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.553113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.553113 (E_RNA)
where:
Base-Base interactions energy: -120.030
where: short stacking energy: -63.474
Base-Backbone interact. energy: -0.700
local terms energy: -100.823066
where:
bonds (distance) C4'-P energy: -21.868
bonds (distance) P-C4' energy: -29.833
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -18.145
tors. eta vs tors. theta energy: -13.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -124.560025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.560025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.560025 (E_RNA)
where:
Base-Base interactions energy: -52.709
where: short stacking energy: -36.239
Base-Backbone interact. energy: -0.319
local terms energy: -71.531773
where:
bonds (distance) C4'-P energy: -27.087
bonds (distance) P-C4' energy: -29.076
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: 8.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -493.283224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.283224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.283224 (E_RNA)
where:
Base-Base interactions energy: -346.252
where: short stacking energy: -122.669
Base-Backbone interact. energy: -0.182
local terms energy: -146.848549
where:
bonds (distance) C4'-P energy: -27.683
bonds (distance) P-C4' energy: -28.923
flat angles C4'-P-C4' energy: -31.689
flat angles P-C4'-P energy: -23.544
tors. eta vs tors. theta energy: -35.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -478.410576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.410576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.410576 (E_RNA)
where:
Base-Base interactions energy: -344.112
where: short stacking energy: -133.182
Base-Backbone interact. energy: -1.160
local terms energy: -133.139063
where:
bonds (distance) C4'-P energy: -25.003
bonds (distance) P-C4' energy: -27.352
flat angles C4'-P-C4' energy: -29.646
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -35.912
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: 3, replica: 5
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -441.606073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.606073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.606073 (E_RNA)
where:
Base-Base interactions energy: -296.378
where: short stacking energy: -135.152
Base-Backbone interact. energy: 0.090
local terms energy: -145.317609
where:
bonds (distance) C4'-P energy: -27.257
bonds (distance) P-C4' energy: -33.281
flat angles C4'-P-C4' energy: -27.491
flat angles P-C4'-P energy: -15.959
tors. eta vs tors. theta energy: -41.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -417.323383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.323383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.323383 (E_RNA)
where:
Base-Base interactions energy: -274.826
where: short stacking energy: -119.229
Base-Backbone interact. energy: -0.435
local terms energy: -142.062747
where:
bonds (distance) C4'-P energy: -30.985
bonds (distance) P-C4' energy: -29.276
flat angles C4'-P-C4' energy: -28.462
flat angles P-C4'-P energy: -22.229
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: 5, replica: 7
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -398.289705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.289705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.289705 (E_RNA)
where:
Base-Base interactions energy: -269.695
where: short stacking energy: -121.975
Base-Backbone interact. energy: -0.449
local terms energy: -128.146105
where:
bonds (distance) C4'-P energy: -24.735
bonds (distance) P-C4' energy: -28.953
flat angles C4'-P-C4' energy: -25.235
flat angles P-C4'-P energy: -16.222
tors. eta vs tors. theta energy: -33.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -327.791210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.791210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.791210 (E_RNA)
where:
Base-Base interactions energy: -213.983
where: short stacking energy: -94.918
Base-Backbone interact. energy: -0.930
local terms energy: -112.877719
where:
bonds (distance) C4'-P energy: -24.716
bonds (distance) P-C4' energy: -25.152
flat angles C4'-P-C4' energy: -28.718
flat angles P-C4'-P energy: -19.963
tors. eta vs tors. theta energy: -14.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -244.416650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.416650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.416650 (E_RNA)
where:
Base-Base interactions energy: -143.289
where: short stacking energy: -76.205
Base-Backbone interact. energy: -0.651
local terms energy: -100.477252
where:
bonds (distance) C4'-P energy: -28.910
bonds (distance) P-C4' energy: -23.394
flat angles C4'-P-C4' energy: -23.254
flat angles P-C4'-P energy: -19.800
tors. eta vs tors. theta energy: -5.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -219.134161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.134161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.134161 (E_RNA)
where:
Base-Base interactions energy: -120.766
where: short stacking energy: -68.083
Base-Backbone interact. energy: -0.454
local terms energy: -97.914085
where:
bonds (distance) C4'-P energy: -20.854
bonds (distance) P-C4' energy: -32.081
flat angles C4'-P-C4' energy: -21.730
flat angles P-C4'-P energy: -11.016
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: 9, replica: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -218.713116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.713116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.713116 (E_RNA)
where:
Base-Base interactions energy: -111.157
where: short stacking energy: -59.948
Base-Backbone interact. energy: -0.319
local terms energy: -107.237196
where:
bonds (distance) C4'-P energy: -25.217
bonds (distance) P-C4' energy: -26.922
flat angles C4'-P-C4' energy: -23.235
flat angles P-C4'-P energy: -15.995
tors. eta vs tors. theta energy: -15.868
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: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -144.983532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.983532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.983532 (E_RNA)
where:
Base-Base interactions energy: -53.646
where: short stacking energy: -36.800
Base-Backbone interact. energy: -0.425
local terms energy: -90.913449
where:
bonds (distance) C4'-P energy: -26.892
bonds (distance) P-C4' energy: -25.545
flat angles C4'-P-C4' energy: -24.157
flat angles P-C4'-P energy: -18.876
tors. eta vs tors. theta energy: 4.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -498.032146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.032146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.032146 (E_RNA)
where:
Base-Base interactions energy: -345.005
where: short stacking energy: -136.843
Base-Backbone interact. energy: -0.018
local terms energy: -153.009795
where:
bonds (distance) C4'-P energy: -23.657
bonds (distance) P-C4' energy: -29.878
flat angles C4'-P-C4' energy: -32.773
flat angles P-C4'-P energy: -22.847
tors. eta vs tors. theta energy: -43.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -464.031958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.031958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.031958 (E_RNA)
where:
Base-Base interactions energy: -328.763
where: short stacking energy: -122.390
Base-Backbone interact. energy: -1.196
local terms energy: -134.072834
where:
bonds (distance) C4'-P energy: -26.525
bonds (distance) P-C4' energy: -29.016
flat angles C4'-P-C4' energy: -29.365
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -36.813
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: 5
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -445.480146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.480146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.480146 (E_RNA)
where:
Base-Base interactions energy: -309.302
where: short stacking energy: -137.762
Base-Backbone interact. energy: -0.028
local terms energy: -136.150344
where:
bonds (distance) C4'-P energy: -22.885
bonds (distance) P-C4' energy: -25.540
flat angles C4'-P-C4' energy: -30.913
flat angles P-C4'-P energy: -18.149
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: 7
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -406.954199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.954199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.954199 (E_RNA)
where:
Base-Base interactions energy: -286.733
where: short stacking energy: -123.250
Base-Backbone interact. energy: -0.329
local terms energy: -119.892402
where:
bonds (distance) C4'-P energy: -20.439
bonds (distance) P-C4' energy: -21.364
flat angles C4'-P-C4' energy: -25.037
flat angles P-C4'-P energy: -19.787
tors. eta vs tors. theta energy: -33.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -390.458035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.458035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.458035 (E_RNA)
where:
Base-Base interactions energy: -272.838
where: short stacking energy: -126.092
Base-Backbone interact. energy: -1.990
local terms energy: -115.630799
where:
bonds (distance) C4'-P energy: -21.502
bonds (distance) P-C4' energy: -24.526
flat angles C4'-P-C4' energy: -22.187
flat angles P-C4'-P energy: -18.022
tors. eta vs tors. theta energy: -29.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -346.272314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.272314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.272314 (E_RNA)
where:
Base-Base interactions energy: -228.751
where: short stacking energy: -97.262
Base-Backbone interact. energy: -0.349
local terms energy: -117.171657
where:
bonds (distance) C4'-P energy: -25.618
bonds (distance) P-C4' energy: -29.194
flat angles C4'-P-C4' energy: -26.328
flat angles P-C4'-P energy: -16.696
tors. eta vs tors. theta energy: -19.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -247.282872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.282872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.282872 (E_RNA)
where:
Base-Base interactions energy: -146.303
where: short stacking energy: -93.983
Base-Backbone interact. energy: -0.047
local terms energy: -100.932953
where:
bonds (distance) C4'-P energy: -22.339
bonds (distance) P-C4' energy: -22.201
flat angles C4'-P-C4' energy: -25.959
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -20.547
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: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -248.719560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.719560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.719560 (E_RNA)
where:
Base-Base interactions energy: -143.404
where: short stacking energy: -73.691
Base-Backbone interact. energy: -0.382
local terms energy: -104.933798
where:
bonds (distance) C4'-P energy: -26.745
bonds (distance) P-C4' energy: -22.118
flat angles C4'-P-C4' energy: -23.273
flat angles P-C4'-P energy: -19.612
tors. eta vs tors. theta energy: -13.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -225.229615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.229615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.229615 (E_RNA)
where:
Base-Base interactions energy: -109.882
where: short stacking energy: -57.378
Base-Backbone interact. energy: 1.072
local terms energy: -116.419192
where:
bonds (distance) C4'-P energy: -29.463
bonds (distance) P-C4' energy: -28.484
flat angles C4'-P-C4' energy: -30.003
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -15.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -136.911253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.911253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.911253 (E_RNA)
where:
Base-Base interactions energy: -51.418
where: short stacking energy: -35.815
Base-Backbone interact. energy: -0.358
local terms energy: -85.135849
where:
bonds (distance) C4'-P energy: -27.558
bonds (distance) P-C4' energy: -23.714
flat angles C4'-P-C4' energy: -27.610
flat angles P-C4'-P energy: -13.827
tors. eta vs tors. theta energy: 7.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -478.834236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.834236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.834236 (E_RNA)
where:
Base-Base interactions energy: -339.635
where: short stacking energy: -138.454
Base-Backbone interact. energy: -0.821
local terms energy: -138.378550
where:
bonds (distance) C4'-P energy: -27.207
bonds (distance) P-C4' energy: -28.399
flat angles C4'-P-C4' energy: -28.771
flat angles P-C4'-P energy: -17.570
tors. eta vs tors. theta energy: -36.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -490.740642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.740642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.740642 (E_RNA)
where:
Base-Base interactions energy: -338.419
where: short stacking energy: -138.227
Base-Backbone interact. energy: -0.067
local terms energy: -152.254594
where:
bonds (distance) C4'-P energy: -27.416
bonds (distance) P-C4' energy: -32.108
flat angles C4'-P-C4' energy: -32.065
flat angles P-C4'-P energy: -19.816
tors. eta vs tors. theta energy: -40.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -437.930634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.930634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.930634 (E_RNA)
where:
Base-Base interactions energy: -304.164
where: short stacking energy: -135.486
Base-Backbone interact. energy: -0.374
local terms energy: -133.392261
where:
bonds (distance) C4'-P energy: -25.671
bonds (distance) P-C4' energy: -24.866
flat angles C4'-P-C4' energy: -31.408
flat angles P-C4'-P energy: -14.827
tors. eta vs tors. theta energy: -36.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -379.003935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.003935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.003935 (E_RNA)
where:
Base-Base interactions energy: -256.440
where: short stacking energy: -108.413
Base-Backbone interact. energy: -0.199
local terms energy: -122.364897
where:
bonds (distance) C4'-P energy: -26.215
bonds (distance) P-C4' energy: -25.984
flat angles C4'-P-C4' energy: -21.259
flat angles P-C4'-P energy: -19.185
tors. eta vs tors. theta energy: -29.722
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: 3
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -361.350051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.350051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.350051 (E_RNA)
where:
Base-Base interactions energy: -237.125
where: short stacking energy: -108.427
Base-Backbone interact. energy: -1.826
local terms energy: -122.398920
where:
bonds (distance) C4'-P energy: -22.463
bonds (distance) P-C4' energy: -27.260
flat angles C4'-P-C4' energy: -25.395
flat angles P-C4'-P energy: -20.688
tors. eta vs tors. theta energy: -26.593
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: 46
Temperature: 1.150000
Total energy: -396.564656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.564656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.564656 (E_RNA)
where:
Base-Base interactions energy: -282.179
where: short stacking energy: -123.770
Base-Backbone interact. energy: 6.226
local terms energy: -120.612299
where:
bonds (distance) C4'-P energy: -26.993
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -22.867
flat angles P-C4'-P energy: -20.356
tors. eta vs tors. theta energy: -29.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -249.810218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.810218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.810218 (E_RNA)
where:
Base-Base interactions energy: -146.896
where: short stacking energy: -88.176
Base-Backbone interact. energy: -0.898
local terms energy: -102.016075
where:
bonds (distance) C4'-P energy: -28.363
bonds (distance) P-C4' energy: -25.408
flat angles C4'-P-C4' energy: -25.455
flat angles P-C4'-P energy: -3.942
tors. eta vs tors. theta energy: -18.848
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: 8, replica: 4
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -220.473472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.473472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.473472 (E_RNA)
where:
Base-Base interactions energy: -117.196
where: short stacking energy: -66.571
Base-Backbone interact. energy: -0.251
local terms energy: -103.026106
where:
bonds (distance) C4'-P energy: -30.573
bonds (distance) P-C4' energy: -25.701
flat angles C4'-P-C4' energy: -21.320
flat angles P-C4'-P energy: -17.326
tors. eta vs tors. theta energy: -8.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -163.132789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.132789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.132789 (E_RNA)
where:
Base-Base interactions energy: -84.571
where: short stacking energy: -41.754
Base-Backbone interact. energy: -0.179
local terms energy: -78.382701
where:
bonds (distance) C4'-P energy: -21.825
bonds (distance) P-C4' energy: -25.913
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -3.522
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: 10, replica: 2
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -175.440752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.440752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.440752 (E_RNA)
where:
Base-Base interactions energy: -76.859
where: short stacking energy: -41.328
Base-Backbone interact. energy: -0.371
local terms energy: -98.210801
where:
bonds (distance) C4'-P energy: -29.897
bonds (distance) P-C4' energy: -25.946
flat angles C4'-P-C4' energy: -24.168
flat angles P-C4'-P energy: -16.566
tors. eta vs tors. theta energy: -1.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -480.060192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.060192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.060192 (E_RNA)
where:
Base-Base interactions energy: -327.571
where: short stacking energy: -131.131
Base-Backbone interact. energy: -0.597
local terms energy: -151.892364
where:
bonds (distance) C4'-P energy: -30.213
bonds (distance) P-C4' energy: -32.768
flat angles C4'-P-C4' energy: -31.591
flat angles P-C4'-P energy: -23.050
tors. eta vs tors. theta energy: -34.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -493.918458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.918458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.918458 (E_RNA)
where:
Base-Base interactions energy: -348.730
where: short stacking energy: -135.719
Base-Backbone interact. energy: -0.282
local terms energy: -144.906293
where:
bonds (distance) C4'-P energy: -29.804
bonds (distance) P-C4' energy: -29.627
flat angles C4'-P-C4' energy: -26.836
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: -41.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -452.013038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.013038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.013038 (E_RNA)
where:
Base-Base interactions energy: -311.262
where: short stacking energy: -134.877
Base-Backbone interact. energy: -0.847
local terms energy: -139.903570
where:
bonds (distance) C4'-P energy: -32.109
bonds (distance) P-C4' energy: -30.097
flat angles C4'-P-C4' energy: -26.743
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -37.614
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: 4, replica: 7
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -394.213102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.213102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.213102 (E_RNA)
where:
Base-Base interactions energy: -273.099
where: short stacking energy: -109.165
Base-Backbone interact. energy: -1.002
local terms energy: -120.111996
where:
bonds (distance) C4'-P energy: -21.170
bonds (distance) P-C4' energy: -23.465
flat angles C4'-P-C4' energy: -25.956
flat angles P-C4'-P energy: -20.401
tors. eta vs tors. theta energy: -29.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -344.189111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.189111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.189111 (E_RNA)
where:
Base-Base interactions energy: -219.167
where: short stacking energy: -99.667
Base-Backbone interact. energy: 0.791
local terms energy: -125.813349
where:
bonds (distance) C4'-P energy: -28.167
bonds (distance) P-C4' energy: -27.400
flat angles C4'-P-C4' energy: -26.310
flat angles P-C4'-P energy: -18.959
tors. eta vs tors. theta energy: -24.978
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: 8
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -410.569266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.569266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.569266 (E_RNA)
where:
Base-Base interactions energy: -284.386
where: short stacking energy: -124.252
Base-Backbone interact. energy: 1.259
local terms energy: -127.443033
where:
bonds (distance) C4'-P energy: -24.013
bonds (distance) P-C4' energy: -23.196
flat angles C4'-P-C4' energy: -30.944
flat angles P-C4'-P energy: -21.129
tors. eta vs tors. theta energy: -28.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -249.336622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.336622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.336622 (E_RNA)
where:
Base-Base interactions energy: -132.980
where: short stacking energy: -84.757
Base-Backbone interact. energy: -0.094
local terms energy: -116.262978
where:
bonds (distance) C4'-P energy: -27.874
bonds (distance) P-C4' energy: -27.551
flat angles C4'-P-C4' energy: -23.686
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -25.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -226.202662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.202662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.202662 (E_RNA)
where:
Base-Base interactions energy: -128.304
where: short stacking energy: -79.364
Base-Backbone interact. energy: -0.627
local terms energy: -97.271729
where:
bonds (distance) C4'-P energy: -28.174
bonds (distance) P-C4' energy: -23.420
flat angles C4'-P-C4' energy: -9.086
flat angles P-C4'-P energy: -20.132
tors. eta vs tors. theta energy: -16.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -188.058283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.058283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.058283 (E_RNA)
where:
Base-Base interactions energy: -114.981
where: short stacking energy: -66.830
Base-Backbone interact. energy: 0.393
local terms energy: -73.470073
where:
bonds (distance) C4'-P energy: -23.535
bonds (distance) P-C4' energy: -10.060
flat angles C4'-P-C4' energy: -19.772
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -9.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -131.297163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.297163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.297163 (E_RNA)
where:
Base-Base interactions energy: -52.423
where: short stacking energy: -44.536
Base-Backbone interact. energy: -0.062
local terms energy: -78.811742
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -25.556
flat angles C4'-P-C4' energy: -17.478
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -3.063
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: 1, replica: 6
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -501.718672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.718672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.718672 (E_RNA)
where:
Base-Base interactions energy: -349.120
where: short stacking energy: -147.709
Base-Backbone interact. energy: -0.254
local terms energy: -152.344600
where:
bonds (distance) C4'-P energy: -27.241
bonds (distance) P-C4' energy: -33.014
flat angles C4'-P-C4' energy: -29.180
flat angles P-C4'-P energy: -19.374
tors. eta vs tors. theta energy: -43.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -475.502987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.502987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.502987 (E_RNA)
where:
Base-Base interactions energy: -335.951
where: short stacking energy: -138.105
Base-Backbone interact. energy: -0.656
local terms energy: -138.895337
where:
bonds (distance) C4'-P energy: -26.588
bonds (distance) P-C4' energy: -23.980
flat angles C4'-P-C4' energy: -33.198
flat angles P-C4'-P energy: -21.050
tors. eta vs tors. theta energy: -34.081
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: 5
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -444.970599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.970599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.970599 (E_RNA)
where:
Base-Base interactions energy: -300.924
where: short stacking energy: -135.148
Base-Backbone interact. energy: -0.587
local terms energy: -143.459597
where:
bonds (distance) C4'-P energy: -30.318
bonds (distance) P-C4' energy: -30.639
flat angles C4'-P-C4' energy: -31.449
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -38.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -410.732410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.732410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.732410 (E_RNA)
where:
Base-Base interactions energy: -286.775
where: short stacking energy: -123.170
Base-Backbone interact. energy: 0.570
local terms energy: -124.527765
where:
bonds (distance) C4'-P energy: -20.755
bonds (distance) P-C4' energy: -26.032
flat angles C4'-P-C4' energy: -26.222
flat angles P-C4'-P energy: -19.256
tors. eta vs tors. theta energy: -32.262
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: 8
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -409.048175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.048175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.048175 (E_RNA)
where:
Base-Base interactions energy: -285.898
where: short stacking energy: -123.887
Base-Backbone interact. energy: -0.577
local terms energy: -122.573008
where:
bonds (distance) C4'-P energy: -25.673
bonds (distance) P-C4' energy: -22.111
flat angles C4'-P-C4' energy: -31.052
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -31.415
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: 48
Temperature: 1.150000
Total energy: -349.709480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.709480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.709480 (E_RNA)
where:
Base-Base interactions energy: -224.817
where: short stacking energy: -94.464
Base-Backbone interact. energy: -0.249
local terms energy: -124.642550
where:
bonds (distance) C4'-P energy: -26.630
bonds (distance) P-C4' energy: -22.935
flat angles C4'-P-C4' energy: -28.200
flat angles P-C4'-P energy: -18.522
tors. eta vs tors. theta energy: -28.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -220.903112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.903112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.903112 (E_RNA)
where:
Base-Base interactions energy: -117.028
where: short stacking energy: -57.289
Base-Backbone interact. energy: -0.862
local terms energy: -103.012845
where:
bonds (distance) C4'-P energy: -25.563
bonds (distance) P-C4' energy: -25.760
flat angles C4'-P-C4' energy: -20.022
flat angles P-C4'-P energy: -20.753
tors. eta vs tors. theta energy: -10.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -236.159673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.159673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.159673 (E_RNA)
where:
Base-Base interactions energy: -138.507
where: short stacking energy: -67.226
Base-Backbone interact. energy: -2.678
local terms energy: -94.974764
where:
bonds (distance) C4'-P energy: -27.776
bonds (distance) P-C4' energy: -22.196
flat angles C4'-P-C4' energy: -22.211
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -11.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -182.271696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.271696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.271696 (E_RNA)
where:
Base-Base interactions energy: -85.695
where: short stacking energy: -63.125
Base-Backbone interact. energy: -0.204
local terms energy: -96.372650
where:
bonds (distance) C4'-P energy: -26.465
bonds (distance) P-C4' energy: -27.202
flat angles C4'-P-C4' energy: -19.800
flat angles P-C4'-P energy: -16.292
tors. eta vs tors. theta energy: -6.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -139.143152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.143152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.143152 (E_RNA)
where:
Base-Base interactions energy: -42.988
where: short stacking energy: -41.788
Base-Backbone interact. energy: -1.743
local terms energy: -94.411420
where:
bonds (distance) C4'-P energy: -23.484
bonds (distance) P-C4' energy: -26.621
flat angles C4'-P-C4' energy: -24.564
flat angles P-C4'-P energy: -17.721
tors. eta vs tors. theta energy: -2.021
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: 6
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -512.128355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.128355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.128355 (E_RNA)
where:
Base-Base interactions energy: -351.850
where: short stacking energy: -145.130
Base-Backbone interact. energy: -0.430
local terms energy: -159.848763
where:
bonds (distance) C4'-P energy: -32.337
bonds (distance) P-C4' energy: -30.183
flat angles C4'-P-C4' energy: -35.241
flat angles P-C4'-P energy: -17.385
tors. eta vs tors. theta energy: -44.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -434.268255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.268255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.268255 (E_RNA)
where:
Base-Base interactions energy: -303.731
where: short stacking energy: -125.416
Base-Backbone interact. energy: -0.007
local terms energy: -130.530888
where:
bonds (distance) C4'-P energy: -28.052
bonds (distance) P-C4' energy: -29.160
flat angles C4'-P-C4' energy: -25.024
flat angles P-C4'-P energy: -15.984
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: 3, replica: 1
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -469.196588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.196588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.196588 (E_RNA)
where:
Base-Base interactions energy: -332.468
where: short stacking energy: -140.230
Base-Backbone interact. energy: -1.252
local terms energy: -135.476106
where:
bonds (distance) C4'-P energy: -27.126
bonds (distance) P-C4' energy: -31.351
flat angles C4'-P-C4' energy: -27.810
flat angles P-C4'-P energy: -16.117
tors. eta vs tors. theta energy: -33.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -401.330876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.330876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.330876 (E_RNA)
where:
Base-Base interactions energy: -275.088
where: short stacking energy: -123.283
Base-Backbone interact. energy: -1.891
local terms energy: -124.351398
where:
bonds (distance) C4'-P energy: -18.617
bonds (distance) P-C4' energy: -28.766
flat angles C4'-P-C4' energy: -30.268
flat angles P-C4'-P energy: -15.696
tors. eta vs tors. theta energy: -31.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -399.147710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.147710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.147710 (E_RNA)
where:
Base-Base interactions energy: -270.636
where: short stacking energy: -120.216
Base-Backbone interact. energy: -0.311
local terms energy: -128.200009
where:
bonds (distance) C4'-P energy: -24.323
bonds (distance) P-C4' energy: -26.573
flat angles C4'-P-C4' energy: -25.766
flat angles P-C4'-P energy: -19.604
tors. eta vs tors. theta energy: -31.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -345.989627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.989627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.989627 (E_RNA)
where:
Base-Base interactions energy: -232.378
where: short stacking energy: -99.497
Base-Backbone interact. energy: -0.438
local terms energy: -113.174514
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -25.499
flat angles C4'-P-C4' energy: -28.972
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: -29.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -248.781959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.781959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.781959 (E_RNA)
where:
Base-Base interactions energy: -138.588
where: short stacking energy: -81.653
Base-Backbone interact. energy: -0.051
local terms energy: -110.142422
where:
bonds (distance) C4'-P energy: -25.088
bonds (distance) P-C4' energy: -26.930
flat angles C4'-P-C4' energy: -26.924
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -19.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -243.764059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.764059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.764059 (E_RNA)
where:
Base-Base interactions energy: -138.900
where: short stacking energy: -76.203
Base-Backbone interact. energy: -0.160
local terms energy: -104.704132
where:
bonds (distance) C4'-P energy: -21.672
bonds (distance) P-C4' energy: -23.104
flat angles C4'-P-C4' energy: -30.181
flat angles P-C4'-P energy: -15.742
tors. eta vs tors. theta energy: -14.004
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: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -197.267265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.267265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.267265 (E_RNA)
where:
Base-Base interactions energy: -105.522
where: short stacking energy: -68.990
Base-Backbone interact. energy: 0.129
local terms energy: -91.874406
where:
bonds (distance) C4'-P energy: -19.857
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -30.052
flat angles P-C4'-P energy: -20.917
tors. eta vs tors. theta energy: -6.748
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: 2
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -129.723075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.723075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.723075 (E_RNA)
where:
Base-Base interactions energy: -49.599
where: short stacking energy: -43.530
Base-Backbone interact. energy: 1.974
local terms energy: -82.098066
where:
bonds (distance) C4'-P energy: -22.676
bonds (distance) P-C4' energy: -24.712
flat angles C4'-P-C4' energy: -23.327
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: 2.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -503.601495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.601495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.601495 (E_RNA)
where:
Base-Base interactions energy: -350.691
where: short stacking energy: -152.664
Base-Backbone interact. energy: -0.756
local terms energy: -152.154065
where:
bonds (distance) C4'-P energy: -26.875
bonds (distance) P-C4' energy: -29.794
flat angles C4'-P-C4' energy: -32.412
flat angles P-C4'-P energy: -20.567
tors. eta vs tors. theta energy: -42.506
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: 5
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -447.668331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.668331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.668331 (E_RNA)
where:
Base-Base interactions energy: -294.846
where: short stacking energy: -123.571
Base-Backbone interact. energy: -0.111
local terms energy: -152.710880
where:
bonds (distance) C4'-P energy: -29.981
bonds (distance) P-C4' energy: -31.361
flat angles C4'-P-C4' energy: -32.154
flat angles P-C4'-P energy: -20.292
tors. eta vs tors. theta energy: -38.924
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: 1
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -470.057280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.057280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.057280 (E_RNA)
where:
Base-Base interactions energy: -336.542
where: short stacking energy: -140.616
Base-Backbone interact. energy: -1.221
local terms energy: -132.293845
where:
bonds (distance) C4'-P energy: -27.012
bonds (distance) P-C4' energy: -26.924
flat angles C4'-P-C4' energy: -26.910
flat angles P-C4'-P energy: -17.068
tors. eta vs tors. theta energy: -34.380
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: 7
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -398.983781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.983781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.983781 (E_RNA)
where:
Base-Base interactions energy: -284.125
where: short stacking energy: -108.227
Base-Backbone interact. energy: 1.318
local terms energy: -116.176237
where:
bonds (distance) C4'-P energy: -26.933
bonds (distance) P-C4' energy: -23.867
flat angles C4'-P-C4' energy: -30.763
flat angles P-C4'-P energy: -15.854
tors. eta vs tors. theta energy: -18.758
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: 8
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -406.237462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.237462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.237462 (E_RNA)
where:
Base-Base interactions energy: -274.573
where: short stacking energy: -127.556
Base-Backbone interact. energy: -1.004
local terms energy: -130.661391
where:
bonds (distance) C4'-P energy: -21.623
bonds (distance) P-C4' energy: -27.307
flat angles C4'-P-C4' energy: -31.540
flat angles P-C4'-P energy: -15.802
tors. eta vs tors. theta energy: -34.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -364.097624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.097624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.097624 (E_RNA)
where:
Base-Base interactions energy: -240.623
where: short stacking energy: -92.207
Base-Backbone interact. energy: -0.298
local terms energy: -123.175706
where:
bonds (distance) C4'-P energy: -27.506
bonds (distance) P-C4' energy: -24.555
flat angles C4'-P-C4' energy: -29.252
flat angles P-C4'-P energy: -20.994
tors. eta vs tors. theta energy: -20.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -250.628482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.628482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.628482 (E_RNA)
where:
Base-Base interactions energy: -145.199
where: short stacking energy: -90.486
Base-Backbone interact. energy: -1.576
local terms energy: -103.853587
where:
bonds (distance) C4'-P energy: -23.783
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -24.667
flat angles P-C4'-P energy: -17.252
tors. eta vs tors. theta energy: -15.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -230.017631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.017631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.017631 (E_RNA)
where:
Base-Base interactions energy: -120.516
where: short stacking energy: -59.837
Base-Backbone interact. energy: -0.389
local terms energy: -109.112724
where:
bonds (distance) C4'-P energy: -23.404
bonds (distance) P-C4' energy: -24.973
flat angles C4'-P-C4' energy: -27.871
flat angles P-C4'-P energy: -20.462
tors. eta vs tors. theta energy: -12.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -179.242145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.242145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.242145 (E_RNA)
where:
Base-Base interactions energy: -81.903
where: short stacking energy: -51.873
Base-Backbone interact. energy: 1.775
local terms energy: -99.113936
where:
bonds (distance) C4'-P energy: -26.982
bonds (distance) P-C4' energy: -21.392
flat angles C4'-P-C4' energy: -22.071
flat angles P-C4'-P energy: -17.046
tors. eta vs tors. theta energy: -11.622
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: 2
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -120.773044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.773044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.773044 (E_RNA)
where:
Base-Base interactions energy: -43.860
where: short stacking energy: -36.650
Base-Backbone interact. energy: 0.933
local terms energy: -77.846469
where:
bonds (distance) C4'-P energy: -27.322
bonds (distance) P-C4' energy: -25.226
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -15.753
tors. eta vs tors. theta energy: 2.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -504.575765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.575765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.575765 (E_RNA)
where:
Base-Base interactions energy: -350.217
where: short stacking energy: -147.810
Base-Backbone interact. energy: 0.129
local terms energy: -154.487347
where:
bonds (distance) C4'-P energy: -24.280
bonds (distance) P-C4' energy: -26.677
flat angles C4'-P-C4' energy: -33.846
flat angles P-C4'-P energy: -24.648
tors. eta vs tors. theta energy: -45.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -471.684281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.684281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.684281 (E_RNA)
where:
Base-Base interactions energy: -339.205
where: short stacking energy: -136.243
Base-Backbone interact. energy: -1.261
local terms energy: -131.218325
where:
bonds (distance) C4'-P energy: -21.716
bonds (distance) P-C4' energy: -28.288
flat angles C4'-P-C4' energy: -28.097
flat angles P-C4'-P energy: -21.202
tors. eta vs tors. theta energy: -31.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -446.501404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.501404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.501404 (E_RNA)
where:
Base-Base interactions energy: -306.554
where: short stacking energy: -126.787
Base-Backbone interact. energy: -0.810
local terms energy: -139.136694
where:
bonds (distance) C4'-P energy: -26.366
bonds (distance) P-C4' energy: -30.166
flat angles C4'-P-C4' energy: -30.624
flat angles P-C4'-P energy: -13.703
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: 4, replica: 8
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -415.947769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.947769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.947769 (E_RNA)
where:
Base-Base interactions energy: -279.908
where: short stacking energy: -122.183
Base-Backbone interact. energy: -0.520
local terms energy: -135.520421
where:
bonds (distance) C4'-P energy: -19.231
bonds (distance) P-C4' energy: -28.214
flat angles C4'-P-C4' energy: -31.921
flat angles P-C4'-P energy: -19.046
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: 5, replica: 7
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -381.651542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.651542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.651542 (E_RNA)
where:
Base-Base interactions energy: -271.813
where: short stacking energy: -109.812
Base-Backbone interact. energy: 3.666
local terms energy: -113.504328
where:
bonds (distance) C4'-P energy: -20.683
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -29.042
flat angles P-C4'-P energy: -16.866
tors. eta vs tors. theta energy: -23.902
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: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -375.732026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.732026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.732026 (E_RNA)
where:
Base-Base interactions energy: -253.703
where: short stacking energy: -109.986
Base-Backbone interact. energy: -0.354
local terms energy: -121.674437
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -29.428
flat angles C4'-P-C4' energy: -32.085
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -30.541
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: 7, replica: 10
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -277.055127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.055127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.055127 (E_RNA)
where:
Base-Base interactions energy: -159.520
where: short stacking energy: -79.459
Base-Backbone interact. energy: -0.744
local terms energy: -116.791583
where:
bonds (distance) C4'-P energy: -28.052
bonds (distance) P-C4' energy: -25.498
flat angles C4'-P-C4' energy: -25.795
flat angles P-C4'-P energy: -17.666
tors. eta vs tors. theta energy: -19.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -241.497398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.497398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.497398 (E_RNA)
where:
Base-Base interactions energy: -147.714
where: short stacking energy: -73.881
Base-Backbone interact. energy: -0.681
local terms energy: -93.102766
where:
bonds (distance) C4'-P energy: -19.105
bonds (distance) P-C4' energy: -29.420
flat angles C4'-P-C4' energy: -22.094
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -10.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -147.173640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.173640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.173640 (E_RNA)
where:
Base-Base interactions energy: -56.144
where: short stacking energy: -53.443
Base-Backbone interact. energy: 4.486
local terms energy: -95.515467
where:
bonds (distance) C4'-P energy: -18.033
bonds (distance) P-C4' energy: -32.544
flat angles C4'-P-C4' energy: -22.006
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -10.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -140.005333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.005333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.005333 (E_RNA)
where:
Base-Base interactions energy: -50.457
where: short stacking energy: -46.167
Base-Backbone interact. energy: -0.913
local terms energy: -88.635852
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -22.334
flat angles C4'-P-C4' energy: -26.558
flat angles P-C4'-P energy: -16.870
tors. eta vs tors. theta energy: -5.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -478.783591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.783591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.783591 (E_RNA)
where:
Base-Base interactions energy: -342.533
where: short stacking energy: -135.607
Base-Backbone interact. energy: -0.138
local terms energy: -136.112142
where:
bonds (distance) C4'-P energy: -28.144
bonds (distance) P-C4' energy: -28.585
flat angles C4'-P-C4' energy: -31.479
flat angles P-C4'-P energy: -16.946
tors. eta vs tors. theta energy: -30.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -499.636425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.636425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.636425 (E_RNA)
where:
Base-Base interactions energy: -346.012
where: short stacking energy: -145.511
Base-Backbone interact. energy: -0.495
local terms energy: -153.129258
where:
bonds (distance) C4'-P energy: -29.129
bonds (distance) P-C4' energy: -25.334
flat angles C4'-P-C4' energy: -32.072
flat angles P-C4'-P energy: -21.676
tors. eta vs tors. theta energy: -44.919
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: 5
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -445.558752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.558752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.558752 (E_RNA)
where:
Base-Base interactions energy: -314.365
where: short stacking energy: -131.915
Base-Backbone interact. energy: -0.145
local terms energy: -131.048124
where:
bonds (distance) C4'-P energy: -27.873
bonds (distance) P-C4' energy: -27.221
flat angles C4'-P-C4' energy: -29.754
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -35.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -410.561712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.561712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.561712 (E_RNA)
where:
Base-Base interactions energy: -292.834
where: short stacking energy: -123.553
Base-Backbone interact. energy: -0.203
local terms energy: -117.524534
where:
bonds (distance) C4'-P energy: -24.090
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -25.585
flat angles P-C4'-P energy: -18.420
tors. eta vs tors. theta energy: -29.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -387.210250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.210250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.210250 (E_RNA)
where:
Base-Base interactions energy: -262.818
where: short stacking energy: -111.275
Base-Backbone interact. energy: -0.829
local terms energy: -123.563609
where:
bonds (distance) C4'-P energy: -26.944
bonds (distance) P-C4' energy: -23.766
flat angles C4'-P-C4' energy: -26.464
flat angles P-C4'-P energy: -26.241
tors. eta vs tors. theta energy: -20.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -355.398466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.398466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.398466 (E_RNA)
where:
Base-Base interactions energy: -239.073
where: short stacking energy: -109.452
Base-Backbone interact. energy: 0.945
local terms energy: -117.270742
where:
bonds (distance) C4'-P energy: -26.516
bonds (distance) P-C4' energy: -24.066
flat angles C4'-P-C4' energy: -29.121
flat angles P-C4'-P energy: -17.786
tors. eta vs tors. theta energy: -19.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -232.262141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.262141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.262141 (E_RNA)
where:
Base-Base interactions energy: -142.568
where: short stacking energy: -77.014
Base-Backbone interact. energy: -0.151
local terms energy: -89.542545
where:
bonds (distance) C4'-P energy: -22.277
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -21.412
flat angles P-C4'-P energy: -13.237
tors. eta vs tors. theta energy: -13.997
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: 10
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -245.230430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.230430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.230430 (E_RNA)
where:
Base-Base interactions energy: -147.849
where: short stacking energy: -81.569
Base-Backbone interact. energy: -0.272
local terms energy: -97.109313
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -25.433
flat angles C4'-P-C4' energy: -24.243
flat angles P-C4'-P energy: -16.380
tors. eta vs tors. theta energy: -12.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -141.109246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.109246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.109246 (E_RNA)
where:
Base-Base interactions energy: -51.995
where: short stacking energy: -47.411
Base-Backbone interact. energy: -0.534
local terms energy: -88.580681
where:
bonds (distance) C4'-P energy: -21.143
bonds (distance) P-C4' energy: -29.739
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -6.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -150.940656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.940656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.940656 (E_RNA)
where:
Base-Base interactions energy: -69.830
where: short stacking energy: -46.656
Base-Backbone interact. energy: -1.157
local terms energy: -79.953177
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -29.661
flat angles C4'-P-C4' energy: -11.279
flat angles P-C4'-P energy: -13.748
tors. eta vs tors. theta energy: -9.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -480.891411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.891411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.891411 (E_RNA)
where:
Base-Base interactions energy: -338.854
where: short stacking energy: -138.109
Base-Backbone interact. energy: -0.698
local terms energy: -141.340067
where:
bonds (distance) C4'-P energy: -29.178
bonds (distance) P-C4' energy: -26.043
flat angles C4'-P-C4' energy: -31.440
flat angles P-C4'-P energy: -22.262
tors. eta vs tors. theta energy: -32.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -492.261145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.261145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.261145 (E_RNA)
where:
Base-Base interactions energy: -341.609
where: short stacking energy: -138.382
Base-Backbone interact. energy: -0.650
local terms energy: -150.002329
where:
bonds (distance) C4'-P energy: -18.820
bonds (distance) P-C4' energy: -33.972
flat angles C4'-P-C4' energy: -30.238
flat angles P-C4'-P energy: -24.871
tors. eta vs tors. theta energy: -42.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -446.699758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.699758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.699758 (E_RNA)
where:
Base-Base interactions energy: -306.703
where: short stacking energy: -128.924
Base-Backbone interact. energy: 0.696
local terms energy: -140.692645
where:
bonds (distance) C4'-P energy: -26.731
bonds (distance) P-C4' energy: -31.432
flat angles C4'-P-C4' energy: -26.830
flat angles P-C4'-P energy: -18.492
tors. eta vs tors. theta energy: -37.208
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: 8
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -415.770376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.770376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.770376 (E_RNA)
where:
Base-Base interactions energy: -277.719
where: short stacking energy: -126.225
Base-Backbone interact. energy: -0.388
local terms energy: -137.663075
where:
bonds (distance) C4'-P energy: -24.383
bonds (distance) P-C4' energy: -28.273
flat angles C4'-P-C4' energy: -30.037
flat angles P-C4'-P energy: -21.104
tors. eta vs tors. theta energy: -33.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -383.921540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.921540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.921540 (E_RNA)
where:
Base-Base interactions energy: -261.443
where: short stacking energy: -116.095
Base-Backbone interact. energy: -0.219
local terms energy: -122.258971
where:
bonds (distance) C4'-P energy: -23.258
bonds (distance) P-C4' energy: -28.109
flat angles C4'-P-C4' energy: -27.984
flat angles P-C4'-P energy: -19.183
tors. eta vs tors. theta energy: -23.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -314.887502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.887502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.887502 (E_RNA)
where:
Base-Base interactions energy: -203.576
where: short stacking energy: -101.870
Base-Backbone interact. energy: -0.148
local terms energy: -111.164439
where:
bonds (distance) C4'-P energy: -28.038
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -20.713
tors. eta vs tors. theta energy: -21.803
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: 4
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -237.648455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.648455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.648455 (E_RNA)
where:
Base-Base interactions energy: -129.968
where: short stacking energy: -75.274
Base-Backbone interact. energy: -0.427
local terms energy: -107.253915
where:
bonds (distance) C4'-P energy: -26.112
bonds (distance) P-C4' energy: -28.065
flat angles C4'-P-C4' energy: -23.395
flat angles P-C4'-P energy: -17.692
tors. eta vs tors. theta energy: -11.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -219.635005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.635005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.635005 (E_RNA)
where:
Base-Base interactions energy: -117.996
where: short stacking energy: -57.053
Base-Backbone interact. energy: -0.903
local terms energy: -100.735673
where:
bonds (distance) C4'-P energy: -28.640
bonds (distance) P-C4' energy: -30.930
flat angles C4'-P-C4' energy: -26.935
flat angles P-C4'-P energy: -6.920
tors. eta vs tors. theta energy: -7.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -140.005439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.005439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.005439 (E_RNA)
where:
Base-Base interactions energy: -55.645
where: short stacking energy: -55.645
Base-Backbone interact. energy: 0.023
local terms energy: -84.383304
where:
bonds (distance) C4'-P energy: -24.177
bonds (distance) P-C4' energy: -26.330
flat angles C4'-P-C4' energy: -10.076
flat angles P-C4'-P energy: -17.628
tors. eta vs tors. theta energy: -6.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -147.972389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.972389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.972389 (E_RNA)
where:
Base-Base interactions energy: -65.533
where: short stacking energy: -52.194
Base-Backbone interact. energy: -1.029
local terms energy: -81.411046
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -24.345
flat angles C4'-P-C4' energy: -20.883
flat angles P-C4'-P energy: -19.768
tors. eta vs tors. theta energy: 1.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -473.983402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.983402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.983402 (E_RNA)
where:
Base-Base interactions energy: -337.149
where: short stacking energy: -144.195
Base-Backbone interact. energy: -0.553
local terms energy: -136.280800
where:
bonds (distance) C4'-P energy: -23.595
bonds (distance) P-C4' energy: -29.763
flat angles C4'-P-C4' energy: -29.935
flat angles P-C4'-P energy: -18.160
tors. eta vs tors. theta energy: -34.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -506.766056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.766056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.766056 (E_RNA)
where:
Base-Base interactions energy: -352.341
where: short stacking energy: -149.808
Base-Backbone interact. energy: -0.065
local terms energy: -154.360719
where:
bonds (distance) C4'-P energy: -30.110
bonds (distance) P-C4' energy: -25.756
flat angles C4'-P-C4' energy: -30.709
flat angles P-C4'-P energy: -23.552
tors. eta vs tors. theta energy: -44.234
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: 5
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -438.257678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.257678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.257678 (E_RNA)
where:
Base-Base interactions energy: -307.741
where: short stacking energy: -120.257
Base-Backbone interact. energy: -0.347
local terms energy: -130.170089
where:
bonds (distance) C4'-P energy: -26.112
bonds (distance) P-C4' energy: -30.536
flat angles C4'-P-C4' energy: -29.574
flat angles P-C4'-P energy: -14.039
tors. eta vs tors. theta energy: -29.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -420.365526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.365526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.365526 (E_RNA)
where:
Base-Base interactions energy: -287.038
where: short stacking energy: -119.871
Base-Backbone interact. energy: 0.332
local terms energy: -133.659416
where:
bonds (distance) C4'-P energy: -24.828
bonds (distance) P-C4' energy: -28.854
flat angles C4'-P-C4' energy: -26.170
flat angles P-C4'-P energy: -19.393
tors. eta vs tors. theta energy: -34.415
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: 7
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -381.100736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.100736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.100736 (E_RNA)
where:
Base-Base interactions energy: -268.412
where: short stacking energy: -107.566
Base-Backbone interact. energy: -0.127
local terms energy: -112.561409
where:
bonds (distance) C4'-P energy: -26.011
bonds (distance) P-C4' energy: -22.966
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -20.815
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: 6, replica: 3
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -325.503960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.503960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.503960 (E_RNA)
where:
Base-Base interactions energy: -213.559
where: short stacking energy: -90.475
Base-Backbone interact. energy: -0.100
local terms energy: -111.844644
where:
bonds (distance) C4'-P energy: -27.704
bonds (distance) P-C4' energy: -22.837
flat angles C4'-P-C4' energy: -27.029
flat angles P-C4'-P energy: -18.474
tors. eta vs tors. theta energy: -15.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -239.214885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.214885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.214885 (E_RNA)
where:
Base-Base interactions energy: -134.539
where: short stacking energy: -71.966
Base-Backbone interact. energy: -0.495
local terms energy: -104.180515
where:
bonds (distance) C4'-P energy: -31.396
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -20.711
flat angles P-C4'-P energy: -17.110
tors. eta vs tors. theta energy: -18.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -232.386703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.386703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.386703 (E_RNA)
where:
Base-Base interactions energy: -130.800
where: short stacking energy: -56.455
Base-Backbone interact. energy: -0.290
local terms energy: -101.295952
where:
bonds (distance) C4'-P energy: -26.914
bonds (distance) P-C4' energy: -27.935
flat angles C4'-P-C4' energy: -27.227
flat angles P-C4'-P energy: -17.413
tors. eta vs tors. theta energy: -1.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -150.304778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.304778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.304778 (E_RNA)
where:
Base-Base interactions energy: -45.621
where: short stacking energy: -40.965
Base-Backbone interact. energy: -0.329
local terms energy: -104.354999
where:
bonds (distance) C4'-P energy: -27.543
bonds (distance) P-C4' energy: -26.628
flat angles C4'-P-C4' energy: -29.188
flat angles P-C4'-P energy: -21.183
tors. eta vs tors. theta energy: 0.187
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: 2
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -123.987011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.987011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.987011 (E_RNA)
where:
Base-Base interactions energy: -46.410
where: short stacking energy: -40.602
Base-Backbone interact. energy: -0.480
local terms energy: -77.096941
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -26.699
flat angles C4'-P-C4' energy: -23.638
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -3.229
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: 1
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -492.459981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.459981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.459981 (E_RNA)
where:
Base-Base interactions energy: -350.921
where: short stacking energy: -143.489
Base-Backbone interact. energy: -0.487
local terms energy: -141.051872
where:
bonds (distance) C4'-P energy: -25.687
bonds (distance) P-C4' energy: -26.270
flat angles C4'-P-C4' energy: -33.825
flat angles P-C4'-P energy: -18.610
tors. eta vs tors. theta energy: -36.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -491.596976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.596976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.596976 (E_RNA)
where:
Base-Base interactions energy: -348.693
where: short stacking energy: -149.428
Base-Backbone interact. energy: 2.535
local terms energy: -145.438678
where:
bonds (distance) C4'-P energy: -29.778
bonds (distance) P-C4' energy: -28.965
flat angles C4'-P-C4' energy: -26.019
flat angles P-C4'-P energy: -24.177
tors. eta vs tors. theta energy: -36.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -456.591571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.591571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.591571 (E_RNA)
where:
Base-Base interactions energy: -315.068
where: short stacking energy: -131.345
Base-Backbone interact. energy: -1.261
local terms energy: -140.262871
where:
bonds (distance) C4'-P energy: -25.753
bonds (distance) P-C4' energy: -27.227
flat angles C4'-P-C4' energy: -31.470
flat angles P-C4'-P energy: -19.466
tors. eta vs tors. theta energy: -36.347
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: 4, replica: 8
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -428.843390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.843390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.843390 (E_RNA)
where:
Base-Base interactions energy: -297.652
where: short stacking energy: -123.916
Base-Backbone interact. energy: -0.829
local terms energy: -130.361833
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -25.296
flat angles C4'-P-C4' energy: -33.835
flat angles P-C4'-P energy: -19.393
tors. eta vs tors. theta energy: -34.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -378.156766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.156766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.156766 (E_RNA)
where:
Base-Base interactions energy: -266.348
where: short stacking energy: -107.037
Base-Backbone interact. energy: -0.262
local terms energy: -111.546968
where:
bonds (distance) C4'-P energy: -18.791
bonds (distance) P-C4' energy: -24.774
flat angles C4'-P-C4' energy: -26.181
flat angles P-C4'-P energy: -21.264
tors. eta vs tors. theta energy: -20.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -344.446597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.446597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.446597 (E_RNA)
where:
Base-Base interactions energy: -220.324
where: short stacking energy: -113.255
Base-Backbone interact. energy: -0.150
local terms energy: -123.972170
where:
bonds (distance) C4'-P energy: -20.553
bonds (distance) P-C4' energy: -34.117
flat angles C4'-P-C4' energy: -25.888
flat angles P-C4'-P energy: -13.734
tors. eta vs tors. theta energy: -29.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -245.742968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.742968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.742968 (E_RNA)
where:
Base-Base interactions energy: -141.463
where: short stacking energy: -69.994
Base-Backbone interact. energy: -0.474
local terms energy: -103.806957
where:
bonds (distance) C4'-P energy: -28.362
bonds (distance) P-C4' energy: -27.814
flat angles C4'-P-C4' energy: -23.977
flat angles P-C4'-P energy: -16.444
tors. eta vs tors. theta energy: -7.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -241.684441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.684441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.684441 (E_RNA)
where:
Base-Base interactions energy: -146.146
where: short stacking energy: -58.988
Base-Backbone interact. energy: -0.805
local terms energy: -94.732768
where:
bonds (distance) C4'-P energy: -25.369
bonds (distance) P-C4' energy: -26.743
flat angles C4'-P-C4' energy: -19.664
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -9.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -138.481030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.481030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.481030 (E_RNA)
where:
Base-Base interactions energy: -61.824
where: short stacking energy: -51.814
Base-Backbone interact. energy: -0.392
local terms energy: -76.264835
where:
bonds (distance) C4'-P energy: -17.379
bonds (distance) P-C4' energy: -24.956
flat angles C4'-P-C4' energy: -23.019
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -2.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -130.372976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.372976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.372976 (E_RNA)
where:
Base-Base interactions energy: -40.262
where: short stacking energy: -37.373
Base-Backbone interact. energy: -0.240
local terms energy: -89.870671
where:
bonds (distance) C4'-P energy: -25.415
bonds (distance) P-C4' energy: -24.837
flat angles C4'-P-C4' energy: -23.156
flat angles P-C4'-P energy: -15.692
tors. eta vs tors. theta energy: -0.771
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: 56
Temperature: 0.900000
Total energy: -505.854918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.854918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.854918 (E_RNA)
where:
Base-Base interactions energy: -359.372
where: short stacking energy: -147.932
Base-Backbone interact. energy: 0.779
local terms energy: -147.262115
where:
bonds (distance) C4'-P energy: -27.270
bonds (distance) P-C4' energy: -24.817
flat angles C4'-P-C4' energy: -30.820
flat angles P-C4'-P energy: -22.549
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: 2, replica: 1
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -477.808415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.808415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.808415 (E_RNA)
where:
Base-Base interactions energy: -339.973
where: short stacking energy: -135.070
Base-Backbone interact. energy: -0.810
local terms energy: -137.026089
where:
bonds (distance) C4'-P energy: -27.604
bonds (distance) P-C4' energy: -24.082
flat angles C4'-P-C4' energy: -29.271
flat angles P-C4'-P energy: -21.185
tors. eta vs tors. theta energy: -34.884
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: 3, replica: 8
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -452.382355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.382355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.382355 (E_RNA)
where:
Base-Base interactions energy: -306.444
where: short stacking energy: -120.623
Base-Backbone interact. energy: -0.022
local terms energy: -145.916164
where:
bonds (distance) C4'-P energy: -27.016
bonds (distance) P-C4' energy: -31.441
flat angles C4'-P-C4' energy: -31.533
flat angles P-C4'-P energy: -23.809
tors. eta vs tors. theta energy: -32.117
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: 5
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -434.258154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.258154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.258154 (E_RNA)
where:
Base-Base interactions energy: -302.853
where: short stacking energy: -122.034
Base-Backbone interact. energy: -1.427
local terms energy: -129.978742
where:
bonds (distance) C4'-P energy: -24.264
bonds (distance) P-C4' energy: -30.376
flat angles C4'-P-C4' energy: -29.650
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -32.034
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: 7
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -390.163999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.163999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.163999 (E_RNA)
where:
Base-Base interactions energy: -271.887
where: short stacking energy: -111.725
Base-Backbone interact. energy: -1.393
local terms energy: -116.883061
where:
bonds (distance) C4'-P energy: -22.156
bonds (distance) P-C4' energy: -26.409
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -15.676
tors. eta vs tors. theta energy: -23.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -348.966860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.966860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.966860 (E_RNA)
where:
Base-Base interactions energy: -215.366
where: short stacking energy: -101.322
Base-Backbone interact. energy: -1.451
local terms energy: -132.149676
where:
bonds (distance) C4'-P energy: -30.789
bonds (distance) P-C4' energy: -25.719
flat angles C4'-P-C4' energy: -25.705
flat angles P-C4'-P energy: -20.702
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: 7, replica: 4
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -244.811190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.811190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.811190 (E_RNA)
where:
Base-Base interactions energy: -140.018
where: short stacking energy: -79.579
Base-Backbone interact. energy: -0.361
local terms energy: -104.432290
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -31.797
flat angles C4'-P-C4' energy: -27.186
flat angles P-C4'-P energy: -15.636
tors. eta vs tors. theta energy: -13.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -227.291463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.291463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.291463 (E_RNA)
where:
Base-Base interactions energy: -131.772
where: short stacking energy: -63.765
Base-Backbone interact. energy: -1.046
local terms energy: -94.472891
where:
bonds (distance) C4'-P energy: -21.424
bonds (distance) P-C4' energy: -20.640
flat angles C4'-P-C4' energy: -28.364
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -10.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -138.354644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.354644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.354644 (E_RNA)
where:
Base-Base interactions energy: -52.144
where: short stacking energy: -49.472
Base-Backbone interact. energy: 0.330
local terms energy: -86.540199
where:
bonds (distance) C4'-P energy: -25.300
bonds (distance) P-C4' energy: -22.426
flat angles C4'-P-C4' energy: -21.827
flat angles P-C4'-P energy: -14.369
tors. eta vs tors. theta energy: -2.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -126.666199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.666199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.666199 (E_RNA)
where:
Base-Base interactions energy: -45.534
where: short stacking energy: -45.395
Base-Backbone interact. energy: -0.373
local terms energy: -80.759755
where:
bonds (distance) C4'-P energy: -20.422
bonds (distance) P-C4' energy: -22.927
flat angles C4'-P-C4' energy: -19.419
flat angles P-C4'-P energy: -20.325
tors. eta vs tors. theta energy: 2.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -502.155805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.155805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.155805 (E_RNA)
where:
Base-Base interactions energy: -352.444
where: short stacking energy: -148.008
Base-Backbone interact. energy: -0.414
local terms energy: -149.297641
where:
bonds (distance) C4'-P energy: -27.042
bonds (distance) P-C4' energy: -34.212
flat angles C4'-P-C4' energy: -33.530
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -41.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -485.730061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.730061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.730061 (E_RNA)
where:
Base-Base interactions energy: -339.249
where: short stacking energy: -139.314
Base-Backbone interact. energy: -1.134
local terms energy: -145.347066
where:
bonds (distance) C4'-P energy: -28.505
bonds (distance) P-C4' energy: -26.736
flat angles C4'-P-C4' energy: -31.941
flat angles P-C4'-P energy: -22.049
tors. eta vs tors. theta energy: -36.116
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: 8
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -432.923408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.923408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.923408 (E_RNA)
where:
Base-Base interactions energy: -305.796
where: short stacking energy: -123.802
Base-Backbone interact. energy: 0.791
local terms energy: -127.919337
where:
bonds (distance) C4'-P energy: -28.917
bonds (distance) P-C4' energy: -26.457
flat angles C4'-P-C4' energy: -22.907
flat angles P-C4'-P energy: -21.650
tors. eta vs tors. theta energy: -27.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -429.067542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.067542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.067542 (E_RNA)
where:
Base-Base interactions energy: -300.939
where: short stacking energy: -138.578
Base-Backbone interact. energy: -0.311
local terms energy: -127.817472
where:
bonds (distance) C4'-P energy: -16.725
bonds (distance) P-C4' energy: -25.777
flat angles C4'-P-C4' energy: -29.299
flat angles P-C4'-P energy: -16.030
tors. eta vs tors. theta energy: -39.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -380.847910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.847910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.847910 (E_RNA)
where:
Base-Base interactions energy: -266.267
where: short stacking energy: -114.326
Base-Backbone interact. energy: -1.377
local terms energy: -113.203550
where:
bonds (distance) C4'-P energy: -28.482
bonds (distance) P-C4' energy: -27.770
flat angles C4'-P-C4' energy: -23.023
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -21.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -346.689805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.689805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.689805 (E_RNA)
where:
Base-Base interactions energy: -236.388
where: short stacking energy: -105.805
Base-Backbone interact. energy: -1.781
local terms energy: -108.520844
where:
bonds (distance) C4'-P energy: -21.616
bonds (distance) P-C4' energy: -19.972
flat angles C4'-P-C4' energy: -26.090
flat angles P-C4'-P energy: -21.487
tors. eta vs tors. theta energy: -19.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -246.825821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.825821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.825821 (E_RNA)
where:
Base-Base interactions energy: -133.322
where: short stacking energy: -88.052
Base-Backbone interact. energy: 1.653
local terms energy: -115.157283
where:
bonds (distance) C4'-P energy: -28.556
bonds (distance) P-C4' energy: -27.717
flat angles C4'-P-C4' energy: -28.999
flat angles P-C4'-P energy: -13.192
tors. eta vs tors. theta energy: -16.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -241.541623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.541623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.541623 (E_RNA)
where:
Base-Base interactions energy: -132.642
where: short stacking energy: -71.164
Base-Backbone interact. energy: 1.691
local terms energy: -110.591108
where:
bonds (distance) C4'-P energy: -26.480
bonds (distance) P-C4' energy: -30.308
flat angles C4'-P-C4' energy: -24.843
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: -15.086
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: 2
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -138.441032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.441032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.441032 (E_RNA)
where:
Base-Base interactions energy: -52.809
where: short stacking energy: -46.459
Base-Backbone interact. energy: -0.542
local terms energy: -85.090501
where:
bonds (distance) C4'-P energy: -26.629
bonds (distance) P-C4' energy: -26.696
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -6.747
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: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -119.404051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.404051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.404051 (E_RNA)
where:
Base-Base interactions energy: -39.298
where: short stacking energy: -29.559
Base-Backbone interact. energy: -0.444
local terms energy: -79.661506
where:
bonds (distance) C4'-P energy: -27.296
bonds (distance) P-C4' energy: -29.676
flat angles C4'-P-C4' energy: -21.037
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: 7.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -489.328369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.328369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.328369 (E_RNA)
where:
Base-Base interactions energy: -346.505
where: short stacking energy: -144.696
Base-Backbone interact. energy: -0.911
local terms energy: -141.912002
where:
bonds (distance) C4'-P energy: -27.286
bonds (distance) P-C4' energy: -24.828
flat angles C4'-P-C4' energy: -31.438
flat angles P-C4'-P energy: -18.803
tors. eta vs tors. theta energy: -39.557
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: 2, replica: 6
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -507.309656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.309656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.309656 (E_RNA)
where:
Base-Base interactions energy: -348.850
where: short stacking energy: -143.164
Base-Backbone interact. energy: 0.232
local terms energy: -158.691920
where:
bonds (distance) C4'-P energy: -29.659
bonds (distance) P-C4' energy: -29.835
flat angles C4'-P-C4' energy: -32.073
flat angles P-C4'-P energy: -25.492
tors. eta vs tors. theta energy: -41.633
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: 3, replica: 8
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -446.879804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.879804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.879804 (E_RNA)
where:
Base-Base interactions energy: -310.685
where: short stacking energy: -130.243
Base-Backbone interact. energy: -0.001
local terms energy: -136.193794
where:
bonds (distance) C4'-P energy: -26.381
bonds (distance) P-C4' energy: -29.326
flat angles C4'-P-C4' energy: -26.110
flat angles P-C4'-P energy: -21.089
tors. eta vs tors. theta energy: -33.288
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: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -427.920832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.920832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.920832 (E_RNA)
where:
Base-Base interactions energy: -295.077
where: short stacking energy: -125.443
Base-Backbone interact. energy: 0.644
local terms energy: -133.488159
where:
bonds (distance) C4'-P energy: -23.114
bonds (distance) P-C4' energy: -29.199
flat angles C4'-P-C4' energy: -26.066
flat angles P-C4'-P energy: -17.673
tors. eta vs tors. theta energy: -37.436
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: 5, replica: 7
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -389.775001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.775001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.775001 (E_RNA)
where:
Base-Base interactions energy: -272.098
where: short stacking energy: -110.404
Base-Backbone interact. energy: 2.185
local terms energy: -119.862159
where:
bonds (distance) C4'-P energy: -28.446
bonds (distance) P-C4' energy: -27.727
flat angles C4'-P-C4' energy: -22.676
flat angles P-C4'-P energy: -17.871
tors. eta vs tors. theta energy: -23.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -339.705026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.705026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.705026 (E_RNA)
where:
Base-Base interactions energy: -215.075
where: short stacking energy: -97.838
Base-Backbone interact. energy: -0.039
local terms energy: -124.591355
where:
bonds (distance) C4'-P energy: -28.412
bonds (distance) P-C4' energy: -26.896
flat angles C4'-P-C4' energy: -31.353
flat angles P-C4'-P energy: -19.218
tors. eta vs tors. theta energy: -18.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -249.837628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.837628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.837628 (E_RNA)
where:
Base-Base interactions energy: -142.201
where: short stacking energy: -82.974
Base-Backbone interact. energy: -0.194
local terms energy: -107.442496
where:
bonds (distance) C4'-P energy: -24.015
bonds (distance) P-C4' energy: -26.573
flat angles C4'-P-C4' energy: -24.628
flat angles P-C4'-P energy: -14.723
tors. eta vs tors. theta energy: -17.503
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: 10
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -237.652005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.652005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.652005 (E_RNA)
where:
Base-Base interactions energy: -146.725
where: short stacking energy: -67.293
Base-Backbone interact. energy: -0.225
local terms energy: -90.701468
where:
bonds (distance) C4'-P energy: -27.957
bonds (distance) P-C4' energy: -20.945
flat angles C4'-P-C4' energy: -25.560
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -6.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -145.201272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.201272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.201272 (E_RNA)
where:
Base-Base interactions energy: -50.303
where: short stacking energy: -49.809
Base-Backbone interact. energy: -0.202
local terms energy: -94.695828
where:
bonds (distance) C4'-P energy: -30.230
bonds (distance) P-C4' energy: -29.802
flat angles C4'-P-C4' energy: -20.846
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -2.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -131.013530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.013530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.013530 (E_RNA)
where:
Base-Base interactions energy: -42.914
where: short stacking energy: -37.809
Base-Backbone interact. energy: 2.092
local terms energy: -90.191598
where:
bonds (distance) C4'-P energy: -28.225
bonds (distance) P-C4' energy: -23.285
flat angles C4'-P-C4' energy: -21.765
flat angles P-C4'-P energy: -19.471
tors. eta vs tors. theta energy: 2.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -495.072986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.072986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.072986 (E_RNA)
where:
Base-Base interactions energy: -344.935
where: short stacking energy: -139.842
Base-Backbone interact. energy: 0.109
local terms energy: -150.247095
where:
bonds (distance) C4'-P energy: -30.995
bonds (distance) P-C4' energy: -25.850
flat angles C4'-P-C4' energy: -33.389
flat angles P-C4'-P energy: -22.213
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: 2, replica: 6
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -496.560716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.560716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.560716 (E_RNA)
where:
Base-Base interactions energy: -344.370
where: short stacking energy: -146.404
Base-Backbone interact. energy: -0.083
local terms energy: -152.107735
where:
bonds (distance) C4'-P energy: -29.257
bonds (distance) P-C4' energy: -23.688
flat angles C4'-P-C4' energy: -28.546
flat angles P-C4'-P energy: -26.850
tors. eta vs tors. theta energy: -43.767
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: 8
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -433.537866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.537866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.537866 (E_RNA)
where:
Base-Base interactions energy: -304.529
where: short stacking energy: -136.336
Base-Backbone interact. energy: -0.726
local terms energy: -128.283029
where:
bonds (distance) C4'-P energy: -24.750
bonds (distance) P-C4' energy: -27.110
flat angles C4'-P-C4' energy: -21.927
flat angles P-C4'-P energy: -20.761
tors. eta vs tors. theta energy: -33.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -416.174513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.174513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.174513 (E_RNA)
where:
Base-Base interactions energy: -285.976
where: short stacking energy: -118.520
Base-Backbone interact. energy: -1.478
local terms energy: -128.721234
where:
bonds (distance) C4'-P energy: -28.251
bonds (distance) P-C4' energy: -22.978
flat angles C4'-P-C4' energy: -27.508
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: -36.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -396.783016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.783016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.783016 (E_RNA)
where:
Base-Base interactions energy: -263.825
where: short stacking energy: -108.406
Base-Backbone interact. energy: -0.563
local terms energy: -132.394821
where:
bonds (distance) C4'-P energy: -30.065
bonds (distance) P-C4' energy: -28.917
flat angles C4'-P-C4' energy: -31.272
flat angles P-C4'-P energy: -17.051
tors. eta vs tors. theta energy: -25.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -346.079275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.079275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.079275 (E_RNA)
where:
Base-Base interactions energy: -232.287
where: short stacking energy: -99.298
Base-Backbone interact. energy: -0.808
local terms energy: -112.984316
where:
bonds (distance) C4'-P energy: -24.156
bonds (distance) P-C4' energy: -21.559
flat angles C4'-P-C4' energy: -25.702
flat angles P-C4'-P energy: -18.188
tors. eta vs tors. theta energy: -23.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -244.620930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.620930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.620930 (E_RNA)
where:
Base-Base interactions energy: -129.454
where: short stacking energy: -72.815
Base-Backbone interact. energy: -0.337
local terms energy: -114.830339
where:
bonds (distance) C4'-P energy: -26.587
bonds (distance) P-C4' energy: -29.167
flat angles C4'-P-C4' energy: -28.767
flat angles P-C4'-P energy: -15.710
tors. eta vs tors. theta energy: -14.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -231.756022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.756022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.756022 (E_RNA)
where:
Base-Base interactions energy: -134.155
where: short stacking energy: -81.493
Base-Backbone interact. energy: 1.875
local terms energy: -99.476300
where:
bonds (distance) C4'-P energy: -19.797
bonds (distance) P-C4' energy: -25.256
flat angles C4'-P-C4' energy: -25.886
flat angles P-C4'-P energy: -14.622
tors. eta vs tors. theta energy: -13.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -149.447115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.447115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.447115 (E_RNA)
where:
Base-Base interactions energy: -60.252
where: short stacking energy: -48.905
Base-Backbone interact. energy: 0.314
local terms energy: -89.509245
where:
bonds (distance) C4'-P energy: -28.459
bonds (distance) P-C4' energy: -19.636
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -12.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -131.764388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.764388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.764388 (E_RNA)
where:
Base-Base interactions energy: -50.950
where: short stacking energy: -43.980
Base-Backbone interact. energy: 0.656
local terms energy: -81.470384
where:
bonds (distance) C4'-P energy: -20.965
bonds (distance) P-C4' energy: -23.863
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -6.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -494.983714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.983714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.983714 (E_RNA)
where:
Base-Base interactions energy: -339.678
where: short stacking energy: -143.547
Base-Backbone interact. energy: -0.361
local terms energy: -154.944840
where:
bonds (distance) C4'-P energy: -24.508
bonds (distance) P-C4' energy: -31.431
flat angles C4'-P-C4' energy: -33.775
flat angles P-C4'-P energy: -24.265
tors. eta vs tors. theta energy: -40.966
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: 1
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -483.263557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.263557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.263557 (E_RNA)
where:
Base-Base interactions energy: -347.416
where: short stacking energy: -139.038
Base-Backbone interact. energy: 0.552
local terms energy: -136.399758
where:
bonds (distance) C4'-P energy: -27.138
bonds (distance) P-C4' energy: -25.692
flat angles C4'-P-C4' energy: -28.860
flat angles P-C4'-P energy: -24.238
tors. eta vs tors. theta energy: -30.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -452.446160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.446160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.446160 (E_RNA)
where:
Base-Base interactions energy: -308.935
where: short stacking energy: -137.905
Base-Backbone interact. energy: 0.816
local terms energy: -144.327014
where:
bonds (distance) C4'-P energy: -27.623
bonds (distance) P-C4' energy: -30.124
flat angles C4'-P-C4' energy: -32.664
flat angles P-C4'-P energy: -17.606
tors. eta vs tors. theta energy: -36.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -433.702831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.702831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.702831 (E_RNA)
where:
Base-Base interactions energy: -294.554
where: short stacking energy: -128.849
Base-Backbone interact. energy: -1.801
local terms energy: -137.348272
where:
bonds (distance) C4'-P energy: -32.122
bonds (distance) P-C4' energy: -23.905
flat angles C4'-P-C4' energy: -26.651
flat angles P-C4'-P energy: -16.472
tors. eta vs tors. theta energy: -38.198
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: 7
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -409.327417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.327417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.327417 (E_RNA)
where:
Base-Base interactions energy: -278.664
where: short stacking energy: -114.582
Base-Backbone interact. energy: -1.257
local terms energy: -129.406700
where:
bonds (distance) C4'-P energy: -26.148
bonds (distance) P-C4' energy: -27.763
flat angles C4'-P-C4' energy: -32.563
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -28.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -349.577553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.577553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.577553 (E_RNA)
where:
Base-Base interactions energy: -223.648
where: short stacking energy: -97.542
Base-Backbone interact. energy: -1.242
local terms energy: -124.687281
where:
bonds (distance) C4'-P energy: -28.311
bonds (distance) P-C4' energy: -29.846
flat angles C4'-P-C4' energy: -25.090
flat angles P-C4'-P energy: -21.584
tors. eta vs tors. theta energy: -19.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -243.029493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.029493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.029493 (E_RNA)
where:
Base-Base interactions energy: -136.085
where: short stacking energy: -73.089
Base-Backbone interact. energy: 0.037
local terms energy: -106.981685
where:
bonds (distance) C4'-P energy: -20.019
bonds (distance) P-C4' energy: -27.042
flat angles C4'-P-C4' energy: -28.156
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: -17.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -221.872337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.872337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.872337 (E_RNA)
where:
Base-Base interactions energy: -131.102
where: short stacking energy: -72.818
Base-Backbone interact. energy: -0.441
local terms energy: -90.330038
where:
bonds (distance) C4'-P energy: -19.325
bonds (distance) P-C4' energy: -25.952
flat angles C4'-P-C4' energy: -20.152
flat angles P-C4'-P energy: -19.861
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -161.676169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.676169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.676169 (E_RNA)
where:
Base-Base interactions energy: -75.942
where: short stacking energy: -47.991
Base-Backbone interact. energy: -0.172
local terms energy: -85.562632
where:
bonds (distance) C4'-P energy: -22.397
bonds (distance) P-C4' energy: -27.425
flat angles C4'-P-C4' energy: -25.659
flat angles P-C4'-P energy: -6.497
tors. eta vs tors. theta energy: -3.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -184.709154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.709154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.709154 (E_RNA)
where:
Base-Base interactions energy: -80.094
where: short stacking energy: -58.581
Base-Backbone interact. energy: -1.694
local terms energy: -102.921539
where:
bonds (distance) C4'-P energy: -25.919
bonds (distance) P-C4' energy: -30.536
flat angles C4'-P-C4' energy: -25.355
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -12.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -504.548465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.548465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.548465 (E_RNA)
where:
Base-Base interactions energy: -348.352
where: short stacking energy: -143.968
Base-Backbone interact. energy: -0.011
local terms energy: -156.185924
where:
bonds (distance) C4'-P energy: -29.572
bonds (distance) P-C4' energy: -32.464
flat angles C4'-P-C4' energy: -26.433
flat angles P-C4'-P energy: -22.770
tors. eta vs tors. theta energy: -44.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -488.680638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.680638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.680638 (E_RNA)
where:
Base-Base interactions energy: -347.419
where: short stacking energy: -135.638
Base-Backbone interact. energy: -0.880
local terms energy: -140.382255
where:
bonds (distance) C4'-P energy: -27.400
bonds (distance) P-C4' energy: -31.339
flat angles C4'-P-C4' energy: -31.166
flat angles P-C4'-P energy: -16.003
tors. eta vs tors. theta energy: -34.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -445.218786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.218786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.218786 (E_RNA)
where:
Base-Base interactions energy: -309.460
where: short stacking energy: -132.074
Base-Backbone interact. energy: -1.078
local terms energy: -134.680922
where:
bonds (distance) C4'-P energy: -20.906
bonds (distance) P-C4' energy: -29.065
flat angles C4'-P-C4' energy: -29.300
flat angles P-C4'-P energy: -16.702
tors. eta vs tors. theta energy: -38.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -424.801802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.801802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.801802 (E_RNA)
where:
Base-Base interactions energy: -296.234
where: short stacking energy: -132.823
Base-Backbone interact. energy: -0.496
local terms energy: -128.071918
where:
bonds (distance) C4'-P energy: -28.244
bonds (distance) P-C4' energy: -21.805
flat angles C4'-P-C4' energy: -31.083
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -32.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -412.408394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.408394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.408394 (E_RNA)
where:
Base-Base interactions energy: -289.380
where: short stacking energy: -121.792
Base-Backbone interact. energy: 0.695
local terms energy: -123.723270
where:
bonds (distance) C4'-P energy: -26.450
bonds (distance) P-C4' energy: -21.206
flat angles C4'-P-C4' energy: -31.510
flat angles P-C4'-P energy: -14.993
tors. eta vs tors. theta energy: -29.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -353.566733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.566733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.566733 (E_RNA)
where:
Base-Base interactions energy: -232.631
where: short stacking energy: -93.453
Base-Backbone interact. energy: -0.507
local terms energy: -120.428310
where:
bonds (distance) C4'-P energy: -28.636
bonds (distance) P-C4' energy: -26.947
flat angles C4'-P-C4' energy: -29.677
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -22.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -255.787482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.787482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.787482 (E_RNA)
where:
Base-Base interactions energy: -147.845
where: short stacking energy: -84.350
Base-Backbone interact. energy: -0.784
local terms energy: -107.158853
where:
bonds (distance) C4'-P energy: -23.714
bonds (distance) P-C4' energy: -28.259
flat angles C4'-P-C4' energy: -24.262
flat angles P-C4'-P energy: -17.265
tors. eta vs tors. theta energy: -13.658
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: 8, replica: 2
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -144.505132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.505132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.505132 (E_RNA)
where:
Base-Base interactions energy: -61.218
where: short stacking energy: -56.562
Base-Backbone interact. energy: 0.270
local terms energy: -83.556967
where:
bonds (distance) C4'-P energy: -21.216
bonds (distance) P-C4' energy: -20.195
flat angles C4'-P-C4' energy: -27.543
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -0.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -222.535236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.535236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.535236 (E_RNA)
where:
Base-Base interactions energy: -129.431
where: short stacking energy: -69.535
Base-Backbone interact. energy: -0.674
local terms energy: -92.429872
where:
bonds (distance) C4'-P energy: -21.761
bonds (distance) P-C4' energy: -29.402
flat angles C4'-P-C4' energy: -20.836
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -8.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -151.128793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.128793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.128793 (E_RNA)
where:
Base-Base interactions energy: -77.798
where: short stacking energy: -51.586
Base-Backbone interact. energy: 0.434
local terms energy: -73.765576
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -25.880
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -16.179
tors. eta vs tors. theta energy: -4.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -498.911710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.911710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.911710 (E_RNA)
where:
Base-Base interactions energy: -358.159
where: short stacking energy: -147.088
Base-Backbone interact. energy: -0.681
local terms energy: -140.071896
where:
bonds (distance) C4'-P energy: -26.803
bonds (distance) P-C4' energy: -30.949
flat angles C4'-P-C4' energy: -25.983
flat angles P-C4'-P energy: -15.220
tors. eta vs tors. theta energy: -41.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -484.078411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.078411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.078411 (E_RNA)
where:
Base-Base interactions energy: -339.340
where: short stacking energy: -139.480
Base-Backbone interact. energy: -2.341
local terms energy: -142.397132
where:
bonds (distance) C4'-P energy: -29.397
bonds (distance) P-C4' energy: -29.632
flat angles C4'-P-C4' energy: -31.767
flat angles P-C4'-P energy: -16.246
tors. eta vs tors. theta energy: -35.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -434.622366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.622366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.622366 (E_RNA)
where:
Base-Base interactions energy: -305.135
where: short stacking energy: -125.400
Base-Backbone interact. energy: -0.658
local terms energy: -128.829458
where:
bonds (distance) C4'-P energy: -26.077
bonds (distance) P-C4' energy: -26.513
flat angles C4'-P-C4' energy: -28.859
flat angles P-C4'-P energy: -21.646
tors. eta vs tors. theta energy: -25.734
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: 4, replica: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -437.873093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.873093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.873093 (E_RNA)
where:
Base-Base interactions energy: -302.980
where: short stacking energy: -127.693
Base-Backbone interact. energy: -0.585
local terms energy: -134.308121
where:
bonds (distance) C4'-P energy: -24.636
bonds (distance) P-C4' energy: -26.912
flat angles C4'-P-C4' energy: -27.846
flat angles P-C4'-P energy: -21.412
tors. eta vs tors. theta energy: -33.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -401.501156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.501156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.501156 (E_RNA)
where:
Base-Base interactions energy: -271.169
where: short stacking energy: -121.339
Base-Backbone interact. energy: -0.305
local terms energy: -130.027291
where:
bonds (distance) C4'-P energy: -21.471
bonds (distance) P-C4' energy: -32.113
flat angles C4'-P-C4' energy: -26.871
flat angles P-C4'-P energy: -18.940
tors. eta vs tors. theta energy: -30.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -383.426444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.426444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.426444 (E_RNA)
where:
Base-Base interactions energy: -255.077
where: short stacking energy: -110.259
Base-Backbone interact. energy: -0.232
local terms energy: -128.117449
where:
bonds (distance) C4'-P energy: -27.494
bonds (distance) P-C4' energy: -30.902
flat angles C4'-P-C4' energy: -23.014
flat angles P-C4'-P energy: -17.731
tors. eta vs tors. theta energy: -28.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -241.740090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.740090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.740090 (E_RNA)
where:
Base-Base interactions energy: -152.291
where: short stacking energy: -84.599
Base-Backbone interact. energy: -0.221
local terms energy: -89.228294
where:
bonds (distance) C4'-P energy: -19.484
bonds (distance) P-C4' energy: -20.543
flat angles C4'-P-C4' energy: -21.994
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -15.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -153.177458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.177458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.177458 (E_RNA)
where:
Base-Base interactions energy: -67.839
where: short stacking energy: -46.035
Base-Backbone interact. energy: -0.310
local terms energy: -85.028278
where:
bonds (distance) C4'-P energy: -24.441
bonds (distance) P-C4' energy: -24.325
flat angles C4'-P-C4' energy: -23.631
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: 0.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -227.455883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.455883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.455883 (E_RNA)
where:
Base-Base interactions energy: -126.314
where: short stacking energy: -55.920
Base-Backbone interact. energy: -0.864
local terms energy: -100.277596
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -26.544
flat angles C4'-P-C4' energy: -27.710
flat angles P-C4'-P energy: -16.795
tors. eta vs tors. theta energy: -12.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -145.816124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.816124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.816124 (E_RNA)
where:
Base-Base interactions energy: -71.630
where: short stacking energy: -39.854
Base-Backbone interact. energy: -0.851
local terms energy: -73.335210
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -25.413
flat angles C4'-P-C4' energy: -22.775
flat angles P-C4'-P energy: -10.489
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: 6
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -496.946992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.946992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.946992 (E_RNA)
where:
Base-Base interactions energy: -346.068
where: short stacking energy: -150.620
Base-Backbone interact. energy: -0.863
local terms energy: -150.015930
where:
bonds (distance) C4'-P energy: -28.597
bonds (distance) P-C4' energy: -25.148
flat angles C4'-P-C4' energy: -31.511
flat angles P-C4'-P energy: -23.429
tors. eta vs tors. theta energy: -41.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -485.245335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.245335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.245335 (E_RNA)
where:
Base-Base interactions energy: -349.589
where: short stacking energy: -138.790
Base-Backbone interact. energy: -0.793
local terms energy: -134.862775
where:
bonds (distance) C4'-P energy: -24.815
bonds (distance) P-C4' energy: -29.004
flat angles C4'-P-C4' energy: -31.143
flat angles P-C4'-P energy: -14.881
tors. eta vs tors. theta energy: -35.021
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: 3, replica: 8
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -431.383680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.383680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.383680 (E_RNA)
where:
Base-Base interactions energy: -290.528
where: short stacking energy: -122.043
Base-Backbone interact. energy: -1.571
local terms energy: -139.284989
where:
bonds (distance) C4'-P energy: -26.280
bonds (distance) P-C4' energy: -24.062
flat angles C4'-P-C4' energy: -31.950
flat angles P-C4'-P energy: -22.890
tors. eta vs tors. theta energy: -34.102
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: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -439.843111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.843111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.843111 (E_RNA)
where:
Base-Base interactions energy: -300.382
where: short stacking energy: -120.300
Base-Backbone interact. energy: 0.862
local terms energy: -140.323809
where:
bonds (distance) C4'-P energy: -23.920
bonds (distance) P-C4' energy: -28.416
flat angles C4'-P-C4' energy: -31.961
flat angles P-C4'-P energy: -23.069
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: 5, replica: 7
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -390.094959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.094959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.094959 (E_RNA)
where:
Base-Base interactions energy: -272.328
where: short stacking energy: -105.972
Base-Backbone interact. energy: -0.500
local terms energy: -117.266915
where:
bonds (distance) C4'-P energy: -25.700
bonds (distance) P-C4' energy: -25.655
flat angles C4'-P-C4' energy: -22.096
flat angles P-C4'-P energy: -19.709
tors. eta vs tors. theta energy: -24.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -353.440738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.440738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.440738 (E_RNA)
where:
Base-Base interactions energy: -236.010
where: short stacking energy: -111.413
Base-Backbone interact. energy: -0.528
local terms energy: -116.903222
where:
bonds (distance) C4'-P energy: -25.821
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -30.346
flat angles P-C4'-P energy: -16.602
tors. eta vs tors. theta energy: -24.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -360.369965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.369965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.369965 (E_RNA)
where:
Base-Base interactions energy: -248.392
where: short stacking energy: -113.714
Base-Backbone interact. energy: 1.446
local terms energy: -113.423678
where:
bonds (distance) C4'-P energy: -20.811
bonds (distance) P-C4' energy: -25.237
flat angles C4'-P-C4' energy: -25.616
flat angles P-C4'-P energy: -18.219
tors. eta vs tors. theta energy: -23.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -209.575875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.575875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.575875 (E_RNA)
where:
Base-Base interactions energy: -103.905
where: short stacking energy: -58.231
Base-Backbone interact. energy: -0.345
local terms energy: -105.326054
where:
bonds (distance) C4'-P energy: -24.431
bonds (distance) P-C4' energy: -27.282
flat angles C4'-P-C4' energy: -32.257
flat angles P-C4'-P energy: -16.053
tors. eta vs tors. theta energy: -5.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -138.625746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.625746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.625746 (E_RNA)
where:
Base-Base interactions energy: -50.095
where: short stacking energy: -36.019
Base-Backbone interact. energy: 0.021
local terms energy: -88.552401
where:
bonds (distance) C4'-P energy: -24.789
bonds (distance) P-C4' energy: -31.131
flat angles C4'-P-C4' energy: -21.582
flat angles P-C4'-P energy: -11.757
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: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -123.712347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.712347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.712347 (E_RNA)
where:
Base-Base interactions energy: -38.642
where: short stacking energy: -38.241
Base-Backbone interact. energy: -0.019
local terms energy: -85.051642
where:
bonds (distance) C4'-P energy: -23.069
bonds (distance) P-C4' energy: -24.576
flat angles C4'-P-C4' energy: -21.465
flat angles P-C4'-P energy: -15.676
tors. eta vs tors. theta energy: -0.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -493.149475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.149475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.149475 (E_RNA)
where:
Base-Base interactions energy: -339.450
where: short stacking energy: -154.643
Base-Backbone interact. energy: -0.005
local terms energy: -153.694002
where:
bonds (distance) C4'-P energy: -26.591
bonds (distance) P-C4' energy: -28.371
flat angles C4'-P-C4' energy: -32.330
flat angles P-C4'-P energy: -22.616
tors. eta vs tors. theta energy: -43.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -486.334133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.334133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.334133 (E_RNA)
where:
Base-Base interactions energy: -342.916
where: short stacking energy: -131.921
Base-Backbone interact. energy: -1.928
local terms energy: -141.489958
where:
bonds (distance) C4'-P energy: -28.760
bonds (distance) P-C4' energy: -29.796
flat angles C4'-P-C4' energy: -27.368
flat angles P-C4'-P energy: -17.801
tors. eta vs tors. theta energy: -37.765
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: 5
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -436.629810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.629810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.629810 (E_RNA)
where:
Base-Base interactions energy: -296.938
where: short stacking energy: -134.430
Base-Backbone interact. energy: -0.437
local terms energy: -139.254665
where:
bonds (distance) C4'-P energy: -23.967
bonds (distance) P-C4' energy: -26.424
flat angles C4'-P-C4' energy: -33.112
flat angles P-C4'-P energy: -17.708
tors. eta vs tors. theta energy: -38.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -421.031790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.031790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.031790 (E_RNA)
where:
Base-Base interactions energy: -283.101
where: short stacking energy: -112.974
Base-Backbone interact. energy: -0.389
local terms energy: -137.541695
where:
bonds (distance) C4'-P energy: -30.086
bonds (distance) P-C4' energy: -30.108
flat angles C4'-P-C4' energy: -27.384
flat angles P-C4'-P energy: -20.659
tors. eta vs tors. theta energy: -29.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -367.116244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.116244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.116244 (E_RNA)
where:
Base-Base interactions energy: -236.866
where: short stacking energy: -107.545
Base-Backbone interact. energy: -0.252
local terms energy: -129.998050
where:
bonds (distance) C4'-P energy: -22.341
bonds (distance) P-C4' energy: -25.349
flat angles C4'-P-C4' energy: -30.816
flat angles P-C4'-P energy: -25.655
tors. eta vs tors. theta energy: -25.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -388.724789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.724789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.724789 (E_RNA)
where:
Base-Base interactions energy: -260.013
where: short stacking energy: -103.991
Base-Backbone interact. energy: -1.002
local terms energy: -127.709929
where:
bonds (distance) C4'-P energy: -24.488
bonds (distance) P-C4' energy: -26.306
flat angles C4'-P-C4' energy: -32.063
flat angles P-C4'-P energy: -22.424
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: 7, replica: 10
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -355.105774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.105774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.105774 (E_RNA)
where:
Base-Base interactions energy: -250.974
where: short stacking energy: -107.034
Base-Backbone interact. energy: -0.729
local terms energy: -103.403010
where:
bonds (distance) C4'-P energy: -22.491
bonds (distance) P-C4' energy: -22.526
flat angles C4'-P-C4' energy: -25.367
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -20.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -233.394209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.394209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.394209 (E_RNA)
where:
Base-Base interactions energy: -145.779
where: short stacking energy: -68.669
Base-Backbone interact. energy: -1.313
local terms energy: -86.301663
where:
bonds (distance) C4'-P energy: -19.954
bonds (distance) P-C4' energy: -25.038
flat angles C4'-P-C4' energy: -25.323
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -3.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -151.276817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.276817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.276817 (E_RNA)
where:
Base-Base interactions energy: -62.374
where: short stacking energy: -42.608
Base-Backbone interact. energy: -0.400
local terms energy: -88.502864
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -27.328
flat angles C4'-P-C4' energy: -30.088
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -2.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -124.506993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.506993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.506993 (E_RNA)
where:
Base-Base interactions energy: -45.798
where: short stacking energy: -40.530
Base-Backbone interact. energy: -0.369
local terms energy: -78.340272
where:
bonds (distance) C4'-P energy: -26.482
bonds (distance) P-C4' energy: -27.175
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -6.353
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: 6
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -503.839948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.839948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.839948 (E_RNA)
where:
Base-Base interactions energy: -350.210
where: short stacking energy: -153.004
Base-Backbone interact. energy: -0.159
local terms energy: -153.471417
where:
bonds (distance) C4'-P energy: -27.460
bonds (distance) P-C4' energy: -30.066
flat angles C4'-P-C4' energy: -29.151
flat angles P-C4'-P energy: -21.414
tors. eta vs tors. theta energy: -45.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -492.695334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.695334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.695334 (E_RNA)
where:
Base-Base interactions energy: -344.111
where: short stacking energy: -140.227
Base-Backbone interact. energy: -1.501
local terms energy: -147.083404
where:
bonds (distance) C4'-P energy: -30.341
bonds (distance) P-C4' energy: -29.954
flat angles C4'-P-C4' energy: -31.255
flat angles P-C4'-P energy: -18.309
tors. eta vs tors. theta energy: -37.225
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: 5
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -429.462574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.462574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.462574 (E_RNA)
where:
Base-Base interactions energy: -298.660
where: short stacking energy: -130.401
Base-Backbone interact. energy: -0.003
local terms energy: -130.799895
where:
bonds (distance) C4'-P energy: -20.051
bonds (distance) P-C4' energy: -26.902
flat angles C4'-P-C4' energy: -35.659
flat angles P-C4'-P energy: -17.645
tors. eta vs tors. theta energy: -30.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -428.290922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.290922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.290922 (E_RNA)
where:
Base-Base interactions energy: -288.006
where: short stacking energy: -112.824
Base-Backbone interact. energy: -0.070
local terms energy: -140.215253
where:
bonds (distance) C4'-P energy: -28.246
bonds (distance) P-C4' energy: -32.974
flat angles C4'-P-C4' energy: -33.787
flat angles P-C4'-P energy: -19.560
tors. eta vs tors. theta energy: -25.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -364.063229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.063229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.063229 (E_RNA)
where:
Base-Base interactions energy: -237.766
where: short stacking energy: -111.973
Base-Backbone interact. energy: -0.024
local terms energy: -126.273442
where:
bonds (distance) C4'-P energy: -27.309
bonds (distance) P-C4' energy: -25.967
flat angles C4'-P-C4' energy: -31.735
flat angles P-C4'-P energy: -19.395
tors. eta vs tors. theta energy: -21.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -365.507195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.507195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.507195 (E_RNA)
where:
Base-Base interactions energy: -250.310
where: short stacking energy: -97.483
Base-Backbone interact. energy: -0.966
local terms energy: -114.230551
where:
bonds (distance) C4'-P energy: -24.833
bonds (distance) P-C4' energy: -25.732
flat angles C4'-P-C4' energy: -29.825
flat angles P-C4'-P energy: -16.876
tors. eta vs tors. theta energy: -16.965
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: 7
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -334.224097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.224097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.224097 (E_RNA)
where:
Base-Base interactions energy: -222.578
where: short stacking energy: -94.605
Base-Backbone interact. energy: -0.469
local terms energy: -111.176306
where:
bonds (distance) C4'-P energy: -20.984
bonds (distance) P-C4' energy: -25.371
flat angles C4'-P-C4' energy: -26.421
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: -21.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -224.595227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.595227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.595227 (E_RNA)
where:
Base-Base interactions energy: -123.522
where: short stacking energy: -72.652
Base-Backbone interact. energy: -0.453
local terms energy: -100.620863
where:
bonds (distance) C4'-P energy: -29.398
bonds (distance) P-C4' energy: -28.253
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -17.945
tors. eta vs tors. theta energy: -7.764
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: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -144.258314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.258314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.258314 (E_RNA)
where:
Base-Base interactions energy: -53.798
where: short stacking energy: -36.710
Base-Backbone interact. energy: 3.121
local terms energy: -93.581773
where:
bonds (distance) C4'-P energy: -22.569
bonds (distance) P-C4' energy: -25.584
flat angles C4'-P-C4' energy: -24.170
flat angles P-C4'-P energy: -20.645
tors. eta vs tors. theta energy: -0.613
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: 2
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -139.689455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.689455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.689455 (E_RNA)
where:
Base-Base interactions energy: -63.813
where: short stacking energy: -55.477
Base-Backbone interact. energy: -1.145
local terms energy: -74.730902
where:
bonds (distance) C4'-P energy: -27.175
bonds (distance) P-C4' energy: -26.077
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: 2.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -509.141866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.141866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.141866 (E_RNA)
where:
Base-Base interactions energy: -354.462
where: short stacking energy: -144.236
Base-Backbone interact. energy: -0.311
local terms energy: -154.368707
where:
bonds (distance) C4'-P energy: -23.674
bonds (distance) P-C4' energy: -35.999
flat angles C4'-P-C4' energy: -30.992
flat angles P-C4'-P energy: -18.852
tors. eta vs tors. theta energy: -44.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -488.537508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.537508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.537508 (E_RNA)
where:
Base-Base interactions energy: -348.573
where: short stacking energy: -136.025
Base-Backbone interact. energy: -0.341
local terms energy: -139.623258
where:
bonds (distance) C4'-P energy: -21.458
bonds (distance) P-C4' energy: -31.859
flat angles C4'-P-C4' energy: -30.031
flat angles P-C4'-P energy: -19.597
tors. eta vs tors. theta energy: -36.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -448.006311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.006311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.006311 (E_RNA)
where:
Base-Base interactions energy: -317.102
where: short stacking energy: -124.907
Base-Backbone interact. energy: -1.906
local terms energy: -128.998442
where:
bonds (distance) C4'-P energy: -28.554
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -32.793
flat angles P-C4'-P energy: -17.595
tors. eta vs tors. theta energy: -32.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -425.404597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.404597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.404597 (E_RNA)
where:
Base-Base interactions energy: -291.821
where: short stacking energy: -129.205
Base-Backbone interact. energy: -0.313
local terms energy: -133.270278
where:
bonds (distance) C4'-P energy: -23.130
bonds (distance) P-C4' energy: -29.945
flat angles C4'-P-C4' energy: -28.500
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: -35.022
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: 3
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -361.929494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.929494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.929494 (E_RNA)
where:
Base-Base interactions energy: -235.544
where: short stacking energy: -111.420
Base-Backbone interact. energy: -0.185
local terms energy: -126.200724
where:
bonds (distance) C4'-P energy: -27.939
bonds (distance) P-C4' energy: -24.066
flat angles C4'-P-C4' energy: -26.607
flat angles P-C4'-P energy: -20.461
tors. eta vs tors. theta energy: -27.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -357.198051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.198051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.198051 (E_RNA)
where:
Base-Base interactions energy: -238.030
where: short stacking energy: -107.334
Base-Backbone interact. energy: -0.119
local terms energy: -119.048974
where:
bonds (distance) C4'-P energy: -24.145
bonds (distance) P-C4' energy: -29.539
flat angles C4'-P-C4' energy: -30.657
flat angles P-C4'-P energy: -19.173
tors. eta vs tors. theta energy: -15.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -332.763313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.763313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.763313 (E_RNA)
where:
Base-Base interactions energy: -230.934
where: short stacking energy: -93.148
Base-Backbone interact. energy: -0.924
local terms energy: -100.904877
where:
bonds (distance) C4'-P energy: -24.901
bonds (distance) P-C4' energy: -20.663
flat angles C4'-P-C4' energy: -25.704
flat angles P-C4'-P energy: -18.327
tors. eta vs tors. theta energy: -11.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -220.737842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.737842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.737842 (E_RNA)
where:
Base-Base interactions energy: -123.423
where: short stacking energy: -68.200
Base-Backbone interact. energy: -0.505
local terms energy: -96.810002
where:
bonds (distance) C4'-P energy: -22.725
bonds (distance) P-C4' energy: -27.549
flat angles C4'-P-C4' energy: -27.447
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -6.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -137.313415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.313415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.313415 (E_RNA)
where:
Base-Base interactions energy: -50.902
where: short stacking energy: -47.675
Base-Backbone interact. energy: -0.114
local terms energy: -86.296577
where:
bonds (distance) C4'-P energy: -29.095
bonds (distance) P-C4' energy: -23.269
flat angles C4'-P-C4' energy: -20.967
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: 0.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -129.822798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.822798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.822798 (E_RNA)
where:
Base-Base interactions energy: -55.644
where: short stacking energy: -47.994
Base-Backbone interact. energy: -0.327
local terms energy: -73.851212
where:
bonds (distance) C4'-P energy: -21.526
bonds (distance) P-C4' energy: -24.598
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -14.933
tors. eta vs tors. theta energy: 4.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -510.531259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.531259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.531259 (E_RNA)
where:
Base-Base interactions energy: -352.567
where: short stacking energy: -141.594
Base-Backbone interact. energy: -0.719
local terms energy: -157.245362
where:
bonds (distance) C4'-P energy: -31.821
bonds (distance) P-C4' energy: -32.281
flat angles C4'-P-C4' energy: -32.527
flat angles P-C4'-P energy: -22.686
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: 2, replica: 8
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -448.173407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.173407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.173407 (E_RNA)
where:
Base-Base interactions energy: -309.909
where: short stacking energy: -130.839
Base-Backbone interact. energy: -1.236
local terms energy: -137.028174
where:
bonds (distance) C4'-P energy: -29.109
bonds (distance) P-C4' energy: -30.839
flat angles C4'-P-C4' energy: -27.137
flat angles P-C4'-P energy: -17.982
tors. eta vs tors. theta energy: -31.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -477.234667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.234667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.234667 (E_RNA)
where:
Base-Base interactions energy: -344.940
where: short stacking energy: -138.661
Base-Backbone interact. energy: 1.851
local terms energy: -134.145952
where:
bonds (distance) C4'-P energy: -21.956
bonds (distance) P-C4' energy: -25.950
flat angles C4'-P-C4' energy: -34.268
flat angles P-C4'-P energy: -19.152
tors. eta vs tors. theta energy: -32.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -415.020708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.020708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.020708 (E_RNA)
where:
Base-Base interactions energy: -268.881
where: short stacking energy: -129.772
Base-Backbone interact. energy: -0.685
local terms energy: -145.454382
where:
bonds (distance) C4'-P energy: -27.768
bonds (distance) P-C4' energy: -27.282
flat angles C4'-P-C4' energy: -32.248
flat angles P-C4'-P energy: -21.930
tors. eta vs tors. theta energy: -36.226
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: 3
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -365.734328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.734328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.734328 (E_RNA)
where:
Base-Base interactions energy: -232.603
where: short stacking energy: -109.294
Base-Backbone interact. energy: -0.747
local terms energy: -132.384601
where:
bonds (distance) C4'-P energy: -30.722
bonds (distance) P-C4' energy: -20.008
flat angles C4'-P-C4' energy: -30.461
flat angles P-C4'-P energy: -23.617
tors. eta vs tors. theta energy: -27.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -332.234883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.234883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.234883 (E_RNA)
where:
Base-Base interactions energy: -217.254
where: short stacking energy: -95.027
Base-Backbone interact. energy: 0.684
local terms energy: -115.664947
where:
bonds (distance) C4'-P energy: -23.530
bonds (distance) P-C4' energy: -27.788
flat angles C4'-P-C4' energy: -31.588
flat angles P-C4'-P energy: -13.179
tors. eta vs tors. theta energy: -19.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -313.001495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.001495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.001495 (E_RNA)
where:
Base-Base interactions energy: -208.506
where: short stacking energy: -96.095
Base-Backbone interact. energy: 0.196
local terms energy: -104.691312
where:
bonds (distance) C4'-P energy: -22.913
bonds (distance) P-C4' energy: -25.937
flat angles C4'-P-C4' energy: -26.066
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -18.929
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: 8, replica: 4
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -209.464697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.464697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.464697 (E_RNA)
where:
Base-Base interactions energy: -110.786
where: short stacking energy: -59.119
Base-Backbone interact. energy: -0.629
local terms energy: -98.049548
where:
bonds (distance) C4'-P energy: -18.648
bonds (distance) P-C4' energy: -22.740
flat angles C4'-P-C4' energy: -33.719
flat angles P-C4'-P energy: -19.679
tors. eta vs tors. theta energy: -3.264
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: 9, replica: 9
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -149.466162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.466162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.466162 (E_RNA)
where:
Base-Base interactions energy: -59.591
where: short stacking energy: -57.549
Base-Backbone interact. energy: -0.851
local terms energy: -89.024076
where:
bonds (distance) C4'-P energy: -23.524
bonds (distance) P-C4' energy: -23.650
flat angles C4'-P-C4' energy: -23.948
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -4.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -138.489606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.489606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.489606 (E_RNA)
where:
Base-Base interactions energy: -50.020
where: short stacking energy: -30.899
Base-Backbone interact. energy: 0.326
local terms energy: -88.795606
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -32.682
flat angles C4'-P-C4' energy: -24.802
flat angles P-C4'-P energy: -13.159
tors. eta vs tors. theta energy: 1.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -506.519522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.519522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.519522 (E_RNA)
where:
Base-Base interactions energy: -355.308
where: short stacking energy: -146.944
Base-Backbone interact. energy: -0.003
local terms energy: -151.208327
where:
bonds (distance) C4'-P energy: -27.470
bonds (distance) P-C4' energy: -29.603
flat angles C4'-P-C4' energy: -29.520
flat angles P-C4'-P energy: -19.376
tors. eta vs tors. theta energy: -45.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -460.057401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.057401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.057401 (E_RNA)
where:
Base-Base interactions energy: -317.428
where: short stacking energy: -133.762
Base-Backbone interact. energy: -2.428
local terms energy: -140.201369
where:
bonds (distance) C4'-P energy: -25.780
bonds (distance) P-C4' energy: -26.305
flat angles C4'-P-C4' energy: -30.532
flat angles P-C4'-P energy: -20.240
tors. eta vs tors. theta energy: -37.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -426.419131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.419131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.419131 (E_RNA)
where:
Base-Base interactions energy: -292.450
where: short stacking energy: -120.325
Base-Backbone interact. energy: -0.058
local terms energy: -133.910879
where:
bonds (distance) C4'-P energy: -21.295
bonds (distance) P-C4' energy: -28.196
flat angles C4'-P-C4' energy: -29.819
flat angles P-C4'-P energy: -19.080
tors. eta vs tors. theta energy: -35.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -469.070859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.070859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.070859 (E_RNA)
where:
Base-Base interactions energy: -324.757
where: short stacking energy: -129.936
Base-Backbone interact. energy: -1.298
local terms energy: -143.016342
where:
bonds (distance) C4'-P energy: -29.305
bonds (distance) P-C4' energy: -25.547
flat angles C4'-P-C4' energy: -32.285
flat angles P-C4'-P energy: -19.480
tors. eta vs tors. theta energy: -36.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -370.080486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.080486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.080486 (E_RNA)
where:
Base-Base interactions energy: -246.578
where: short stacking energy: -111.778
Base-Backbone interact. energy: -0.583
local terms energy: -122.919250
where:
bonds (distance) C4'-P energy: -23.163
bonds (distance) P-C4' energy: -25.962
flat angles C4'-P-C4' energy: -29.064
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -30.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -350.766257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.766257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.766257 (E_RNA)
where:
Base-Base interactions energy: -229.255
where: short stacking energy: -108.479
Base-Backbone interact. energy: 2.996
local terms energy: -124.506701
where:
bonds (distance) C4'-P energy: -27.706
bonds (distance) P-C4' energy: -26.422
flat angles C4'-P-C4' energy: -24.091
flat angles P-C4'-P energy: -23.755
tors. eta vs tors. theta energy: -22.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -322.912880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.912880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.912880 (E_RNA)
where:
Base-Base interactions energy: -214.303
where: short stacking energy: -96.789
Base-Backbone interact. energy: 3.865
local terms energy: -112.475309
where:
bonds (distance) C4'-P energy: -20.680
bonds (distance) P-C4' energy: -24.275
flat angles C4'-P-C4' energy: -25.503
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -27.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -218.916118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.916118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.916118 (E_RNA)
where:
Base-Base interactions energy: -128.830
where: short stacking energy: -67.424
Base-Backbone interact. energy: 1.277
local terms energy: -91.362733
where:
bonds (distance) C4'-P energy: -27.564
bonds (distance) P-C4' energy: -18.935
flat angles C4'-P-C4' energy: -19.074
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -13.626
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: 9, replica: 2
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -154.307921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.307921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.307921 (E_RNA)
where:
Base-Base interactions energy: -59.636
where: short stacking energy: -44.521
Base-Backbone interact. energy: -0.827
local terms energy: -93.844931
where:
bonds (distance) C4'-P energy: -26.260
bonds (distance) P-C4' energy: -24.242
flat angles C4'-P-C4' energy: -21.792
flat angles P-C4'-P energy: -14.948
tors. eta vs tors. theta energy: -6.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -121.274972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.274972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.274972 (E_RNA)
where:
Base-Base interactions energy: -34.434
where: short stacking energy: -34.434
Base-Backbone interact. energy: -1.343
local terms energy: -85.497455
where:
bonds (distance) C4'-P energy: -23.778
bonds (distance) P-C4' energy: -25.533
flat angles C4'-P-C4' energy: -22.685
flat angles P-C4'-P energy: -17.243
tors. eta vs tors. theta energy: 3.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -512.650723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.650723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.650723 (E_RNA)
where:
Base-Base interactions energy: -354.976
where: short stacking energy: -151.643
Base-Backbone interact. energy: -1.428
local terms energy: -156.246781
where:
bonds (distance) C4'-P energy: -33.131
bonds (distance) P-C4' energy: -29.682
flat angles C4'-P-C4' energy: -28.641
flat angles P-C4'-P energy: -23.160
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: 8
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -429.579504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.579504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.579504 (E_RNA)
where:
Base-Base interactions energy: -298.429
where: short stacking energy: -127.906
Base-Backbone interact. energy: 0.966
local terms energy: -132.117041
where:
bonds (distance) C4'-P energy: -29.932
bonds (distance) P-C4' energy: -27.078
flat angles C4'-P-C4' energy: -23.361
flat angles P-C4'-P energy: -18.964
tors. eta vs tors. theta energy: -32.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -417.561329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.561329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.561329 (E_RNA)
where:
Base-Base interactions energy: -277.809
where: short stacking energy: -126.824
Base-Backbone interact. energy: 0.013
local terms energy: -139.764795
where:
bonds (distance) C4'-P energy: -30.309
bonds (distance) P-C4' energy: -26.219
flat angles C4'-P-C4' energy: -24.384
flat angles P-C4'-P energy: -21.921
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: 1
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -467.448624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.448624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.448624 (E_RNA)
where:
Base-Base interactions energy: -328.523
where: short stacking energy: -138.894
Base-Backbone interact. energy: -1.281
local terms energy: -137.645165
where:
bonds (distance) C4'-P energy: -25.579
bonds (distance) P-C4' energy: -24.751
flat angles C4'-P-C4' energy: -29.257
flat angles P-C4'-P energy: -17.986
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: 5, replica: 3
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -374.573190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.573190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.573190 (E_RNA)
where:
Base-Base interactions energy: -250.064
where: short stacking energy: -113.740
Base-Backbone interact. energy: -1.803
local terms energy: -122.706236
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -23.927
flat angles C4'-P-C4' energy: -26.878
flat angles P-C4'-P energy: -21.516
tors. eta vs tors. theta energy: -32.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -352.453979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.453979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.453979 (E_RNA)
where:
Base-Base interactions energy: -235.866
where: short stacking energy: -100.749
Base-Backbone interact. energy: 0.684
local terms energy: -117.271900
where:
bonds (distance) C4'-P energy: -26.906
bonds (distance) P-C4' energy: -27.306
flat angles C4'-P-C4' energy: -30.301
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -20.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -336.540193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.540193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.540193 (E_RNA)
where:
Base-Base interactions energy: -222.785
where: short stacking energy: -94.409
Base-Backbone interact. energy: -0.021
local terms energy: -113.734221
where:
bonds (distance) C4'-P energy: -32.428
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -30.704
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -26.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -217.313780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.313780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.313780 (E_RNA)
where:
Base-Base interactions energy: -118.308
where: short stacking energy: -58.895
Base-Backbone interact. energy: -1.883
local terms energy: -97.122127
where:
bonds (distance) C4'-P energy: -24.646
bonds (distance) P-C4' energy: -27.867
flat angles C4'-P-C4' energy: -24.635
flat angles P-C4'-P energy: -14.350
tors. eta vs tors. theta energy: -5.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -141.007730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.007730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.007730 (E_RNA)
where:
Base-Base interactions energy: -49.335
where: short stacking energy: -46.964
Base-Backbone interact. energy: -0.472
local terms energy: -91.201530
where:
bonds (distance) C4'-P energy: -31.169
bonds (distance) P-C4' energy: -26.148
flat angles C4'-P-C4' energy: -20.461
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -2.599
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: 9
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -182.634760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.634760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.634760 (E_RNA)
where:
Base-Base interactions energy: -94.119
where: short stacking energy: -57.574
Base-Backbone interact. energy: -0.187
local terms energy: -88.327974
where:
bonds (distance) C4'-P energy: -21.159
bonds (distance) P-C4' energy: -22.278
flat angles C4'-P-C4' energy: -29.218
flat angles P-C4'-P energy: -10.710
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: 1, replica: 6
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -508.822648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.822648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.822648 (E_RNA)
where:
Base-Base interactions energy: -350.576
where: short stacking energy: -149.330
Base-Backbone interact. energy: -0.324
local terms energy: -157.922637
where:
bonds (distance) C4'-P energy: -28.760
bonds (distance) P-C4' energy: -29.272
flat angles C4'-P-C4' energy: -33.301
flat angles P-C4'-P energy: -21.380
tors. eta vs tors. theta energy: -45.210
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: 2, replica: 8
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -437.204329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.204329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.204329 (E_RNA)
where:
Base-Base interactions energy: -296.356
where: short stacking energy: -115.975
Base-Backbone interact. energy: -0.031
local terms energy: -140.817094
where:
bonds (distance) C4'-P energy: -26.073
bonds (distance) P-C4' energy: -31.394
flat angles C4'-P-C4' energy: -30.221
flat angles P-C4'-P energy: -18.066
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: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -463.017451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.017451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.017451 (E_RNA)
where:
Base-Base interactions energy: -334.043
where: short stacking energy: -138.315
Base-Backbone interact. energy: 0.001
local terms energy: -128.975076
where:
bonds (distance) C4'-P energy: -27.134
bonds (distance) P-C4' energy: -18.089
flat angles C4'-P-C4' energy: -32.918
flat angles P-C4'-P energy: -15.821
tors. eta vs tors. theta energy: -35.013
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: 70
Temperature: 1.050000
Total energy: -438.013249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.013249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.013249 (E_RNA)
where:
Base-Base interactions energy: -303.291
where: short stacking energy: -129.060
Base-Backbone interact. energy: 1.706
local terms energy: -136.427701
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -28.346
flat angles C4'-P-C4' energy: -36.440
flat angles P-C4'-P energy: -13.953
tors. eta vs tors. theta energy: -38.749
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: 7
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -353.175881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.175881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.175881 (E_RNA)
where:
Base-Base interactions energy: -227.899
where: short stacking energy: -92.906
Base-Backbone interact. energy: -2.076
local terms energy: -123.200770
where:
bonds (distance) C4'-P energy: -26.425
bonds (distance) P-C4' energy: -29.412
flat angles C4'-P-C4' energy: -22.078
flat angles P-C4'-P energy: -21.671
tors. eta vs tors. theta energy: -23.615
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: 3
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -345.850783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.850783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.850783 (E_RNA)
where:
Base-Base interactions energy: -224.727
where: short stacking energy: -105.235
Base-Backbone interact. energy: -0.443
local terms energy: -120.680800
where:
bonds (distance) C4'-P energy: -24.776
bonds (distance) P-C4' energy: -28.861
flat angles C4'-P-C4' energy: -26.575
flat angles P-C4'-P energy: -14.840
tors. eta vs tors. theta energy: -25.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -348.693298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.693298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.693298 (E_RNA)
where:
Base-Base interactions energy: -233.554
where: short stacking energy: -96.955
Base-Backbone interact. energy: 3.497
local terms energy: -118.636343
where:
bonds (distance) C4'-P energy: -27.911
bonds (distance) P-C4' energy: -28.046
flat angles C4'-P-C4' energy: -23.600
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -24.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -219.486101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.486101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.486101 (E_RNA)
where:
Base-Base interactions energy: -109.877
where: short stacking energy: -58.104
Base-Backbone interact. energy: 2.041
local terms energy: -111.649792
where:
bonds (distance) C4'-P energy: -32.925
bonds (distance) P-C4' energy: -25.942
flat angles C4'-P-C4' energy: -27.111
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -12.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -194.654254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.654254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.654254 (E_RNA)
where:
Base-Base interactions energy: -117.822
where: short stacking energy: -67.086
Base-Backbone interact. energy: -0.536
local terms energy: -76.296485
where:
bonds (distance) C4'-P energy: -21.702
bonds (distance) P-C4' energy: -22.495
flat angles C4'-P-C4' energy: -22.265
flat angles P-C4'-P energy: -3.764
tors. eta vs tors. theta energy: -6.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -126.288980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.288980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.288980 (E_RNA)
where:
Base-Base interactions energy: -43.177
where: short stacking energy: -32.700
Base-Backbone interact. energy: -0.984
local terms energy: -82.128020
where:
bonds (distance) C4'-P energy: -21.675
bonds (distance) P-C4' energy: -22.110
flat angles C4'-P-C4' energy: -29.090
flat angles P-C4'-P energy: -16.447
tors. eta vs tors. theta energy: 7.194
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: 71
Temperature: 0.900000
Total energy: -514.113425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.113425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.113425 (E_RNA)
where:
Base-Base interactions energy: -359.550
where: short stacking energy: -141.537
Base-Backbone interact. energy: -0.263
local terms energy: -154.299966
where:
bonds (distance) C4'-P energy: -20.745
bonds (distance) P-C4' energy: -34.187
flat angles C4'-P-C4' energy: -34.901
flat angles P-C4'-P energy: -23.560
tors. eta vs tors. theta energy: -40.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -470.650051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.650051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.650051 (E_RNA)
where:
Base-Base interactions energy: -328.463
where: short stacking energy: -118.902
Base-Backbone interact. energy: -0.538
local terms energy: -141.649289
where:
bonds (distance) C4'-P energy: -25.724
bonds (distance) P-C4' energy: -30.695
flat angles C4'-P-C4' energy: -30.762
flat angles P-C4'-P energy: -15.887
tors. eta vs tors. theta energy: -38.582
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: 8
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -451.659240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.659240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.659240 (E_RNA)
where:
Base-Base interactions energy: -308.995
where: short stacking energy: -132.102
Base-Backbone interact. energy: -0.549
local terms energy: -142.115878
where:
bonds (distance) C4'-P energy: -28.017
bonds (distance) P-C4' energy: -28.762
flat angles C4'-P-C4' energy: -29.798
flat angles P-C4'-P energy: -19.471
tors. eta vs tors. theta energy: -36.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -419.737670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.737670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.737670 (E_RNA)
where:
Base-Base interactions energy: -287.654
where: short stacking energy: -123.283
Base-Backbone interact. energy: -1.068
local terms energy: -131.015513
where:
bonds (distance) C4'-P energy: -28.250
bonds (distance) P-C4' energy: -24.675
flat angles C4'-P-C4' energy: -26.448
flat angles P-C4'-P energy: -20.445
tors. eta vs tors. theta energy: -31.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -325.685491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.685491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.685491 (E_RNA)
where:
Base-Base interactions energy: -212.816
where: short stacking energy: -93.901
Base-Backbone interact. energy: -0.844
local terms energy: -112.025379
where:
bonds (distance) C4'-P energy: -25.726
bonds (distance) P-C4' energy: -28.951
flat angles C4'-P-C4' energy: -22.799
flat angles P-C4'-P energy: -19.006
tors. eta vs tors. theta energy: -15.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -353.933148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.933148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.933148 (E_RNA)
where:
Base-Base interactions energy: -243.517
where: short stacking energy: -110.457
Base-Backbone interact. energy: -0.339
local terms energy: -110.077181
where:
bonds (distance) C4'-P energy: -23.395
bonds (distance) P-C4' energy: -22.443
flat angles C4'-P-C4' energy: -24.523
flat angles P-C4'-P energy: -17.187
tors. eta vs tors. theta energy: -22.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -325.492298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.492298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.492298 (E_RNA)
where:
Base-Base interactions energy: -211.800
where: short stacking energy: -99.691
Base-Backbone interact. energy: -1.909
local terms energy: -111.782892
where:
bonds (distance) C4'-P energy: -32.801
bonds (distance) P-C4' energy: -21.694
flat angles C4'-P-C4' energy: -22.710
flat angles P-C4'-P energy: -16.081
tors. eta vs tors. theta energy: -18.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -209.138330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.138330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.138330 (E_RNA)
where:
Base-Base interactions energy: -114.882
where: short stacking energy: -68.863
Base-Backbone interact. energy: -0.375
local terms energy: -93.880947
where:
bonds (distance) C4'-P energy: -22.234
bonds (distance) P-C4' energy: -24.262
flat angles C4'-P-C4' energy: -23.281
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -12.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -225.878758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.878758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.878758 (E_RNA)
where:
Base-Base interactions energy: -130.186
where: short stacking energy: -85.366
Base-Backbone interact. energy: -0.270
local terms energy: -95.422676
where:
bonds (distance) C4'-P energy: -22.289
bonds (distance) P-C4' energy: -30.949
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -13.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -122.923744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.923744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.923744 (E_RNA)
where:
Base-Base interactions energy: -37.793
where: short stacking energy: -37.158
Base-Backbone interact. energy: 0.000
local terms energy: -85.131157
where:
bonds (distance) C4'-P energy: -24.924
bonds (distance) P-C4' energy: -27.730
flat angles C4'-P-C4' energy: -21.004
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: 1.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -509.759193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.759193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.759193 (E_RNA)
where:
Base-Base interactions energy: -361.619
where: short stacking energy: -138.688
Base-Backbone interact. energy: -0.639
local terms energy: -147.502005
where:
bonds (distance) C4'-P energy: -29.557
bonds (distance) P-C4' energy: -27.650
flat angles C4'-P-C4' energy: -32.460
flat angles P-C4'-P energy: -16.603
tors. eta vs tors. theta energy: -41.233
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: 1
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -483.489930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.489930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.489930 (E_RNA)
where:
Base-Base interactions energy: -334.839
where: short stacking energy: -133.771
Base-Backbone interact. energy: -1.411
local terms energy: -147.240295
where:
bonds (distance) C4'-P energy: -29.027
bonds (distance) P-C4' energy: -28.751
flat angles C4'-P-C4' energy: -33.968
flat angles P-C4'-P energy: -18.105
tors. eta vs tors. theta energy: -37.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -421.075181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.075181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.075181 (E_RNA)
where:
Base-Base interactions energy: -290.889
where: short stacking energy: -137.304
Base-Backbone interact. energy: -0.318
local terms energy: -129.868152
where:
bonds (distance) C4'-P energy: -21.751
bonds (distance) P-C4' energy: -25.785
flat angles C4'-P-C4' energy: -27.459
flat angles P-C4'-P energy: -19.593
tors. eta vs tors. theta energy: -35.280
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: 8
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -412.285302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.285302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.285302 (E_RNA)
where:
Base-Base interactions energy: -274.702
where: short stacking energy: -116.376
Base-Backbone interact. energy: -1.766
local terms energy: -135.817195
where:
bonds (distance) C4'-P energy: -25.522
bonds (distance) P-C4' energy: -30.937
flat angles C4'-P-C4' energy: -26.855
flat angles P-C4'-P energy: -21.618
tors. eta vs tors. theta energy: -30.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -378.798935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.798935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.798935 (E_RNA)
where:
Base-Base interactions energy: -258.812
where: short stacking energy: -114.609
Base-Backbone interact. energy: -0.032
local terms energy: -119.954880
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -23.746
flat angles C4'-P-C4' energy: -33.429
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -30.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -329.837834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.837834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.837834 (E_RNA)
where:
Base-Base interactions energy: -220.320
where: short stacking energy: -94.980
Base-Backbone interact. energy: -0.635
local terms energy: -108.882495
where:
bonds (distance) C4'-P energy: -17.628
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -31.499
flat angles P-C4'-P energy: -21.104
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: 3
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -339.717119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.717119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.717119 (E_RNA)
where:
Base-Base interactions energy: -211.274
where: short stacking energy: -82.843
Base-Backbone interact. energy: -1.902
local terms energy: -126.541608
where:
bonds (distance) C4'-P energy: -22.394
bonds (distance) P-C4' energy: -28.161
flat angles C4'-P-C4' energy: -28.205
flat angles P-C4'-P energy: -23.556
tors. eta vs tors. theta energy: -24.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -213.702075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.702075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.702075 (E_RNA)
where:
Base-Base interactions energy: -129.677
where: short stacking energy: -50.444
Base-Backbone interact. energy: -0.752
local terms energy: -83.272830
where:
bonds (distance) C4'-P energy: -22.844
bonds (distance) P-C4' energy: -26.445
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -13.366
tors. eta vs tors. theta energy: -2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -211.180044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.180044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.180044 (E_RNA)
where:
Base-Base interactions energy: -121.544
where: short stacking energy: -76.940
Base-Backbone interact. energy: -0.171
local terms energy: -89.465077
where:
bonds (distance) C4'-P energy: -18.410
bonds (distance) P-C4' energy: -26.909
flat angles C4'-P-C4' energy: -19.483
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -12.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -122.667674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.667674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.667674 (E_RNA)
where:
Base-Base interactions energy: -34.907
where: short stacking energy: -28.003
Base-Backbone interact. energy: -0.073
local terms energy: -87.687560
where:
bonds (distance) C4'-P energy: -24.861
bonds (distance) P-C4' energy: -27.225
flat angles C4'-P-C4' energy: -24.246
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -1.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -507.998521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.998521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.998521 (E_RNA)
where:
Base-Base interactions energy: -355.104
where: short stacking energy: -153.534
Base-Backbone interact. energy: 2.016
local terms energy: -154.910388
where:
bonds (distance) C4'-P energy: -29.891
bonds (distance) P-C4' energy: -29.874
flat angles C4'-P-C4' energy: -30.429
flat angles P-C4'-P energy: -17.586
tors. eta vs tors. theta energy: -47.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -477.419396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.419396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.419396 (E_RNA)
where:
Base-Base interactions energy: -329.829
where: short stacking energy: -141.207
Base-Backbone interact. energy: -0.406
local terms energy: -147.183869
where:
bonds (distance) C4'-P energy: -28.331
bonds (distance) P-C4' energy: -28.122
flat angles C4'-P-C4' energy: -33.180
flat angles P-C4'-P energy: -18.649
tors. eta vs tors. theta energy: -38.903
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: 73
Temperature: 1.000000
Total energy: -419.081797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.081797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.081797 (E_RNA)
where:
Base-Base interactions energy: -276.639
where: short stacking energy: -115.204
Base-Backbone interact. energy: -0.699
local terms energy: -141.743948
where:
bonds (distance) C4'-P energy: -29.389
bonds (distance) P-C4' energy: -28.860
flat angles C4'-P-C4' energy: -27.570
flat angles P-C4'-P energy: -24.070
tors. eta vs tors. theta energy: -31.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -398.100347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.100347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.100347 (E_RNA)
where:
Base-Base interactions energy: -264.664
where: short stacking energy: -122.597
Base-Backbone interact. energy: -0.129
local terms energy: -133.307137
where:
bonds (distance) C4'-P energy: -30.454
bonds (distance) P-C4' energy: -21.359
flat angles C4'-P-C4' energy: -26.189
flat angles P-C4'-P energy: -22.214
tors. eta vs tors. theta energy: -33.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -414.386102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.386102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.386102 (E_RNA)
where:
Base-Base interactions energy: -282.644
where: short stacking energy: -116.580
Base-Backbone interact. energy: -1.106
local terms energy: -130.636015
where:
bonds (distance) C4'-P energy: -24.140
bonds (distance) P-C4' energy: -23.207
flat angles C4'-P-C4' energy: -31.316
flat angles P-C4'-P energy: -21.998
tors. eta vs tors. theta energy: -29.975
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: 3
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -357.186208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.186208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.186208 (E_RNA)
where:
Base-Base interactions energy: -240.505
where: short stacking energy: -108.363
Base-Backbone interact. energy: -0.333
local terms energy: -116.348623
where:
bonds (distance) C4'-P energy: -21.920
bonds (distance) P-C4' energy: -23.904
flat angles C4'-P-C4' energy: -25.696
flat angles P-C4'-P energy: -18.275
tors. eta vs tors. theta energy: -26.554
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: 7
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -308.155281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.155281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.155281 (E_RNA)
where:
Base-Base interactions energy: -203.831
where: short stacking energy: -87.124
Base-Backbone interact. energy: -0.452
local terms energy: -103.872253
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -28.430
flat angles C4'-P-C4' energy: -29.745
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -14.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -235.482555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.482555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.482555 (E_RNA)
where:
Base-Base interactions energy: -123.632
where: short stacking energy: -69.821
Base-Backbone interact. energy: -0.315
local terms energy: -111.536285
where:
bonds (distance) C4'-P energy: -26.768
bonds (distance) P-C4' energy: -29.773
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -15.421
tors. eta vs tors. theta energy: -20.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -215.315565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.315565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.315565 (E_RNA)
where:
Base-Base interactions energy: -128.064
where: short stacking energy: -70.604
Base-Backbone interact. energy: -0.002
local terms energy: -87.249928
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -22.024
flat angles C4'-P-C4' energy: -18.901
flat angles P-C4'-P energy: -18.814
tors. eta vs tors. theta energy: -12.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -136.129736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.129736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.129736 (E_RNA)
where:
Base-Base interactions energy: -50.817
where: short stacking energy: -40.068
Base-Backbone interact. energy: -1.027
local terms energy: -84.285085
where:
bonds (distance) C4'-P energy: -27.510
bonds (distance) P-C4' energy: -26.005
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -14.882
tors. eta vs tors. theta energy: 0.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -502.029792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.029792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.029792 (E_RNA)
where:
Base-Base interactions energy: -345.544
where: short stacking energy: -151.978
Base-Backbone interact. energy: -0.974
local terms energy: -155.511927
where:
bonds (distance) C4'-P energy: -29.141
bonds (distance) P-C4' energy: -25.169
flat angles C4'-P-C4' energy: -32.262
flat angles P-C4'-P energy: -23.511
tors. eta vs tors. theta energy: -45.430
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: 1
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -469.733337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.733337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.733337 (E_RNA)
where:
Base-Base interactions energy: -330.160
where: short stacking energy: -138.753
Base-Backbone interact. energy: -0.750
local terms energy: -138.823255
where:
bonds (distance) C4'-P energy: -31.646
bonds (distance) P-C4' energy: -28.875
flat angles C4'-P-C4' energy: -25.309
flat angles P-C4'-P energy: -18.444
tors. eta vs tors. theta energy: -34.550
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: 3, replica: 5
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -440.004072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.004072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.004072 (E_RNA)
where:
Base-Base interactions energy: -307.039
where: short stacking energy: -137.378
Base-Backbone interact. energy: -1.404
local terms energy: -131.561623
where:
bonds (distance) C4'-P energy: -22.993
bonds (distance) P-C4' energy: -26.522
flat angles C4'-P-C4' energy: -25.347
flat angles P-C4'-P energy: -17.664
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: 4, replica: 10
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -408.472332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.472332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.472332 (E_RNA)
where:
Base-Base interactions energy: -268.823
where: short stacking energy: -99.683
Base-Backbone interact. energy: -2.344
local terms energy: -137.304709
where:
bonds (distance) C4'-P energy: -29.217
bonds (distance) P-C4' energy: -30.752
flat angles C4'-P-C4' energy: -29.430
flat angles P-C4'-P energy: -19.584
tors. eta vs tors. theta energy: -28.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -427.658441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.658441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.658441 (E_RNA)
where:
Base-Base interactions energy: -296.863
where: short stacking energy: -140.390
Base-Backbone interact. energy: -0.270
local terms energy: -130.525861
where:
bonds (distance) C4'-P energy: -26.010
bonds (distance) P-C4' energy: -21.476
flat angles C4'-P-C4' energy: -27.189
flat angles P-C4'-P energy: -20.844
tors. eta vs tors. theta energy: -35.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -358.587265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.587265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.587265 (E_RNA)
where:
Base-Base interactions energy: -239.047
where: short stacking energy: -108.543
Base-Backbone interact. energy: -1.469
local terms energy: -118.071373
where:
bonds (distance) C4'-P energy: -22.405
bonds (distance) P-C4' energy: -27.543
flat angles C4'-P-C4' energy: -25.192
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -31.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -252.137750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.137750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.137750 (E_RNA)
where:
Base-Base interactions energy: -158.844
where: short stacking energy: -66.173
Base-Backbone interact. energy: -1.905
local terms energy: -91.388874
where:
bonds (distance) C4'-P energy: -21.612
bonds (distance) P-C4' energy: -28.951
flat angles C4'-P-C4' energy: -21.713
flat angles P-C4'-P energy: -15.623
tors. eta vs tors. theta energy: -3.489
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: 8, replica: 9
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -210.173416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.173416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.173416 (E_RNA)
where:
Base-Base interactions energy: -116.680
where: short stacking energy: -60.308
Base-Backbone interact. energy: -0.440
local terms energy: -93.053010
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -27.260
flat angles C4'-P-C4' energy: -23.322
flat angles P-C4'-P energy: -19.374
tors. eta vs tors. theta energy: -4.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -210.645276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.645276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.645276 (E_RNA)
where:
Base-Base interactions energy: -118.418
where: short stacking energy: -53.544
Base-Backbone interact. energy: -0.447
local terms energy: -91.779802
where:
bonds (distance) C4'-P energy: -24.529
bonds (distance) P-C4' energy: -28.740
flat angles C4'-P-C4' energy: -21.847
flat angles P-C4'-P energy: -16.079
tors. eta vs tors. theta energy: -0.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -127.751805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.751805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.751805 (E_RNA)
where:
Base-Base interactions energy: -56.735
where: short stacking energy: -47.545
Base-Backbone interact. energy: -0.477
local terms energy: -70.540099
where:
bonds (distance) C4'-P energy: -20.848
bonds (distance) P-C4' energy: -23.952
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -5.136
tors. eta vs tors. theta energy: -2.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -504.541079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.541079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.541079 (E_RNA)
where:
Base-Base interactions energy: -352.822
where: short stacking energy: -155.809
Base-Backbone interact. energy: -1.065
local terms energy: -150.654404
where:
bonds (distance) C4'-P energy: -28.731
bonds (distance) P-C4' energy: -29.010
flat angles C4'-P-C4' energy: -28.971
flat angles P-C4'-P energy: -19.758
tors. eta vs tors. theta energy: -44.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -480.416858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.416858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.416858 (E_RNA)
where:
Base-Base interactions energy: -334.442
where: short stacking energy: -141.013
Base-Backbone interact. energy: 0.205
local terms energy: -146.180191
where:
bonds (distance) C4'-P energy: -29.773
bonds (distance) P-C4' energy: -28.982
flat angles C4'-P-C4' energy: -30.877
flat angles P-C4'-P energy: -21.355
tors. eta vs tors. theta energy: -35.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -394.138848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.138848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.138848 (E_RNA)
where:
Base-Base interactions energy: -276.979
where: short stacking energy: -107.881
Base-Backbone interact. energy: 0.320
local terms energy: -117.479951
where:
bonds (distance) C4'-P energy: -23.817
bonds (distance) P-C4' energy: -21.393
flat angles C4'-P-C4' energy: -24.588
flat angles P-C4'-P energy: -19.973
tors. eta vs tors. theta energy: -27.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -429.488057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.488057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.488057 (E_RNA)
where:
Base-Base interactions energy: -296.230
where: short stacking energy: -125.960
Base-Backbone interact. energy: -0.516
local terms energy: -132.742313
where:
bonds (distance) C4'-P energy: -25.635
bonds (distance) P-C4' energy: -29.437
flat angles C4'-P-C4' energy: -28.864
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -35.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -401.977713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.977713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.977713 (E_RNA)
where:
Base-Base interactions energy: -282.028
where: short stacking energy: -125.237
Base-Backbone interact. energy: -0.451
local terms energy: -119.499393
where:
bonds (distance) C4'-P energy: -23.819
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -27.576
flat angles P-C4'-P energy: -18.641
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: 6, replica: 3
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -336.854834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.854834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.854834 (E_RNA)
where:
Base-Base interactions energy: -230.281
where: short stacking energy: -102.107
Base-Backbone interact. energy: -0.362
local terms energy: -106.211599
where:
bonds (distance) C4'-P energy: -28.651
bonds (distance) P-C4' energy: -28.139
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -21.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -254.637290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.637290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.637290 (E_RNA)
where:
Base-Base interactions energy: -155.238
where: short stacking energy: -73.087
Base-Backbone interact. energy: 0.364
local terms energy: -99.763820
where:
bonds (distance) C4'-P energy: -24.600
bonds (distance) P-C4' energy: -19.285
flat angles C4'-P-C4' energy: -23.423
flat angles P-C4'-P energy: -18.047
tors. eta vs tors. theta energy: -14.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -208.360919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.360919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.360919 (E_RNA)
where:
Base-Base interactions energy: -110.424
where: short stacking energy: -52.396
Base-Backbone interact. energy: 4.757
local terms energy: -102.694057
where:
bonds (distance) C4'-P energy: -27.448
bonds (distance) P-C4' energy: -28.378
flat angles C4'-P-C4' energy: -22.335
flat angles P-C4'-P energy: -22.020
tors. eta vs tors. theta energy: -2.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -214.634520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.634520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.634520 (E_RNA)
where:
Base-Base interactions energy: -129.218
where: short stacking energy: -67.629
Base-Backbone interact. energy: -0.297
local terms energy: -85.119373
where:
bonds (distance) C4'-P energy: -26.383
bonds (distance) P-C4' energy: -28.477
flat angles C4'-P-C4' energy: -18.146
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -4.304
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: 10, replica: 2
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -126.353417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.353417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.353417 (E_RNA)
where:
Base-Base interactions energy: -46.736
where: short stacking energy: -41.919
Base-Backbone interact. energy: -0.396
local terms energy: -79.221524
where:
bonds (distance) C4'-P energy: -25.322
bonds (distance) P-C4' energy: -24.542
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: 0.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -509.913390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.913390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.913390 (E_RNA)
where:
Base-Base interactions energy: -359.654
where: short stacking energy: -150.014
Base-Backbone interact. energy: -0.452
local terms energy: -149.806938
where:
bonds (distance) C4'-P energy: -28.285
bonds (distance) P-C4' energy: -32.620
flat angles C4'-P-C4' energy: -24.739
flat angles P-C4'-P energy: -20.872
tors. eta vs tors. theta energy: -43.291
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: 1
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -473.851167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.851167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.851167 (E_RNA)
where:
Base-Base interactions energy: -326.962
where: short stacking energy: -135.240
Base-Backbone interact. energy: -0.709
local terms energy: -146.180813
where:
bonds (distance) C4'-P energy: -27.865
bonds (distance) P-C4' energy: -34.086
flat angles C4'-P-C4' energy: -28.473
flat angles P-C4'-P energy: -17.140
tors. eta vs tors. theta energy: -38.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -444.122410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.122410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.122410 (E_RNA)
where:
Base-Base interactions energy: -298.538
where: short stacking energy: -124.117
Base-Backbone interact. energy: 0.066
local terms energy: -145.649773
where:
bonds (distance) C4'-P energy: -32.006
bonds (distance) P-C4' energy: -29.011
flat angles C4'-P-C4' energy: -30.175
flat angles P-C4'-P energy: -21.122
tors. eta vs tors. theta energy: -33.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -422.675733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.675733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.675733 (E_RNA)
where:
Base-Base interactions energy: -283.303
where: short stacking energy: -122.963
Base-Backbone interact. energy: 0.204
local terms energy: -139.576797
where:
bonds (distance) C4'-P energy: -30.069
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -28.660
flat angles P-C4'-P energy: -21.464
tors. eta vs tors. theta energy: -34.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -358.606545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.606545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.606545 (E_RNA)
where:
Base-Base interactions energy: -236.018
where: short stacking energy: -106.818
Base-Backbone interact. energy: -0.868
local terms energy: -121.721330
where:
bonds (distance) C4'-P energy: -24.503
bonds (distance) P-C4' energy: -29.109
flat angles C4'-P-C4' energy: -29.184
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -24.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -426.371891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.371891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.371891 (E_RNA)
where:
Base-Base interactions energy: -284.963
where: short stacking energy: -124.935
Base-Backbone interact. energy: -0.630
local terms energy: -140.778959
where:
bonds (distance) C4'-P energy: -29.108
bonds (distance) P-C4' energy: -32.760
flat angles C4'-P-C4' energy: -28.682
flat angles P-C4'-P energy: -17.447
tors. eta vs tors. theta energy: -32.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -253.312728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.312728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.312728 (E_RNA)
where:
Base-Base interactions energy: -154.267
where: short stacking energy: -78.355
Base-Backbone interact. energy: -0.113
local terms energy: -98.932862
where:
bonds (distance) C4'-P energy: -28.757
bonds (distance) P-C4' energy: -25.690
flat angles C4'-P-C4' energy: -20.095
flat angles P-C4'-P energy: -16.981
tors. eta vs tors. theta energy: -7.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -249.352264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.352264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.352264 (E_RNA)
where:
Base-Base interactions energy: -150.706
where: short stacking energy: -83.793
Base-Backbone interact. energy: -0.038
local terms energy: -98.607814
where:
bonds (distance) C4'-P energy: -19.029
bonds (distance) P-C4' energy: -24.857
flat angles C4'-P-C4' energy: -22.853
flat angles P-C4'-P energy: -16.119
tors. eta vs tors. theta energy: -15.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -192.944739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.944739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.944739 (E_RNA)
where:
Base-Base interactions energy: -104.064
where: short stacking energy: -68.412
Base-Backbone interact. energy: -1.213
local terms energy: -87.667566
where:
bonds (distance) C4'-P energy: -26.634
bonds (distance) P-C4' energy: -28.378
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -10.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -142.578527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.578527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.578527 (E_RNA)
where:
Base-Base interactions energy: -64.903
where: short stacking energy: -50.592
Base-Backbone interact. energy: -0.856
local terms energy: -76.819317
where:
bonds (distance) C4'-P energy: -22.741
bonds (distance) P-C4' energy: -25.001
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -2.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -506.933824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.933824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.933824 (E_RNA)
where:
Base-Base interactions energy: -360.750
where: short stacking energy: -147.852
Base-Backbone interact. energy: -0.209
local terms energy: -145.975534
where:
bonds (distance) C4'-P energy: -26.935
bonds (distance) P-C4' energy: -27.762
flat angles C4'-P-C4' energy: -29.328
flat angles P-C4'-P energy: -19.933
tors. eta vs tors. theta energy: -42.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -486.979019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.979019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.979019 (E_RNA)
where:
Base-Base interactions energy: -334.411
where: short stacking energy: -139.692
Base-Backbone interact. energy: -0.991
local terms energy: -151.577586
where:
bonds (distance) C4'-P energy: -28.917
bonds (distance) P-C4' energy: -30.422
flat angles C4'-P-C4' energy: -31.053
flat angles P-C4'-P energy: -21.966
tors. eta vs tors. theta energy: -39.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -431.361883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.361883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.361883 (E_RNA)
where:
Base-Base interactions energy: -307.103
where: short stacking energy: -119.379
Base-Backbone interact. energy: -0.785
local terms energy: -123.473544
where:
bonds (distance) C4'-P energy: -27.696
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -31.322
flat angles P-C4'-P energy: -16.747
tors. eta vs tors. theta energy: -26.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -420.985837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.985837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.985837 (E_RNA)
where:
Base-Base interactions energy: -276.941
where: short stacking energy: -116.934
Base-Backbone interact. energy: 1.039
local terms energy: -145.083533
where:
bonds (distance) C4'-P energy: -28.433
bonds (distance) P-C4' energy: -28.876
flat angles C4'-P-C4' energy: -30.306
flat angles P-C4'-P energy: -18.606
tors. eta vs tors. theta energy: -38.862
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: 5, replica: 3
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -355.421459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.421459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.421459 (E_RNA)
where:
Base-Base interactions energy: -230.870
where: short stacking energy: -109.599
Base-Backbone interact. energy: -0.640
local terms energy: -123.911246
where:
bonds (distance) C4'-P energy: -27.208
bonds (distance) P-C4' energy: -21.797
flat angles C4'-P-C4' energy: -29.404
flat angles P-C4'-P energy: -20.526
tors. eta vs tors. theta energy: -24.977
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: 10
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -427.737486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.737486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.737486 (E_RNA)
where:
Base-Base interactions energy: -299.445
where: short stacking energy: -136.453
Base-Backbone interact. energy: -0.515
local terms energy: -127.778276
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -22.023
flat angles C4'-P-C4' energy: -31.084
flat angles P-C4'-P energy: -18.287
tors. eta vs tors. theta energy: -39.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -279.960161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.960161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.960161 (E_RNA)
where:
Base-Base interactions energy: -169.806
where: short stacking energy: -81.389
Base-Backbone interact. energy: 2.359
local terms energy: -112.513435
where:
bonds (distance) C4'-P energy: -24.647
bonds (distance) P-C4' energy: -28.229
flat angles C4'-P-C4' energy: -23.130
flat angles P-C4'-P energy: -15.878
tors. eta vs tors. theta energy: -20.630
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: 8, replica: 4
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -220.714000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.714000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.714000 (E_RNA)
where:
Base-Base interactions energy: -117.437
where: short stacking energy: -56.228
Base-Backbone interact. energy: -0.484
local terms energy: -102.792999
where:
bonds (distance) C4'-P energy: -20.514
bonds (distance) P-C4' energy: -27.273
flat angles C4'-P-C4' energy: -26.577
flat angles P-C4'-P energy: -17.214
tors. eta vs tors. theta energy: -11.215
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: 9, replica: 7
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -210.411740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.411740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.411740 (E_RNA)
where:
Base-Base interactions energy: -116.558
where: short stacking energy: -64.056
Base-Backbone interact. energy: 0.592
local terms energy: -94.446483
where:
bonds (distance) C4'-P energy: -26.415
bonds (distance) P-C4' energy: -20.763
flat angles C4'-P-C4' energy: -21.735
flat angles P-C4'-P energy: -19.689
tors. eta vs tors. theta energy: -5.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -139.062178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.062178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.062178 (E_RNA)
where:
Base-Base interactions energy: -54.190
where: short stacking energy: -51.252
Base-Backbone interact. energy: -0.374
local terms energy: -84.497721
where:
bonds (distance) C4'-P energy: -27.042
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -22.712
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: 0.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -496.551321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.551321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.551321 (E_RNA)
where:
Base-Base interactions energy: -353.354
where: short stacking energy: -138.613
Base-Backbone interact. energy: -2.475
local terms energy: -140.721814
where:
bonds (distance) C4'-P energy: -28.179
bonds (distance) P-C4' energy: -24.588
flat angles C4'-P-C4' energy: -29.284
flat angles P-C4'-P energy: -20.536
tors. eta vs tors. theta energy: -38.135
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: 6
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -493.044567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.044567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.044567 (E_RNA)
where:
Base-Base interactions energy: -345.905
where: short stacking energy: -145.336
Base-Backbone interact. energy: -0.096
local terms energy: -147.044131
where:
bonds (distance) C4'-P energy: -28.284
bonds (distance) P-C4' energy: -25.537
flat angles C4'-P-C4' energy: -27.728
flat angles P-C4'-P energy: -23.087
tors. eta vs tors. theta energy: -42.408
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: 5
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -435.020568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.020568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.020568 (E_RNA)
where:
Base-Base interactions energy: -301.358
where: short stacking energy: -130.623
Base-Backbone interact. energy: -0.252
local terms energy: -133.410879
where:
bonds (distance) C4'-P energy: -21.680
bonds (distance) P-C4' energy: -26.985
flat angles C4'-P-C4' energy: -24.876
flat angles P-C4'-P energy: -18.451
tors. eta vs tors. theta energy: -41.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -429.769888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.769888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.769888 (E_RNA)
where:
Base-Base interactions energy: -295.217
where: short stacking energy: -114.781
Base-Backbone interact. energy: -1.214
local terms energy: -133.338357
where:
bonds (distance) C4'-P energy: -27.526
bonds (distance) P-C4' energy: -28.607
flat angles C4'-P-C4' energy: -30.724
flat angles P-C4'-P energy: -16.076
tors. eta vs tors. theta energy: -30.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -434.122498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.122498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.122498 (E_RNA)
where:
Base-Base interactions energy: -296.625
where: short stacking energy: -129.228
Base-Backbone interact. energy: -0.201
local terms energy: -137.297104
where:
bonds (distance) C4'-P energy: -21.966
bonds (distance) P-C4' energy: -23.672
flat angles C4'-P-C4' energy: -33.135
flat angles P-C4'-P energy: -21.272
tors. eta vs tors. theta energy: -37.252
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: 6, replica: 3
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -352.770329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.770329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.770329 (E_RNA)
where:
Base-Base interactions energy: -237.580
where: short stacking energy: -99.963
Base-Backbone interact. energy: -0.410
local terms energy: -114.780328
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -27.699
flat angles C4'-P-C4' energy: -30.073
flat angles P-C4'-P energy: -17.264
tors. eta vs tors. theta energy: -22.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -298.833406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.833406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.833406 (E_RNA)
where:
Base-Base interactions energy: -178.449
where: short stacking energy: -81.177
Base-Backbone interact. energy: -1.188
local terms energy: -119.196254
where:
bonds (distance) C4'-P energy: -29.243
bonds (distance) P-C4' energy: -28.203
flat angles C4'-P-C4' energy: -27.969
flat angles P-C4'-P energy: -16.168
tors. eta vs tors. theta energy: -17.614
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: 8, replica: 4
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -234.742936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.742936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.742936 (E_RNA)
where:
Base-Base interactions energy: -129.512
where: short stacking energy: -64.019
Base-Backbone interact. energy: -1.276
local terms energy: -103.955676
where:
bonds (distance) C4'-P energy: -25.601
bonds (distance) P-C4' energy: -25.439
flat angles C4'-P-C4' energy: -20.999
flat angles P-C4'-P energy: -20.814
tors. eta vs tors. theta energy: -11.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -240.306459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.306459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.306459 (E_RNA)
where:
Base-Base interactions energy: -147.407
where: short stacking energy: -69.424
Base-Backbone interact. energy: -0.331
local terms energy: -92.568517
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -21.593
flat angles C4'-P-C4' energy: -28.073
flat angles P-C4'-P energy: -19.857
tors. eta vs tors. theta energy: -11.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -139.586776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.586776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.586776 (E_RNA)
where:
Base-Base interactions energy: -50.780
where: short stacking energy: -37.953
Base-Backbone interact. energy: -3.913
local terms energy: -84.894506
where:
bonds (distance) C4'-P energy: -20.633
bonds (distance) P-C4' energy: -24.219
flat angles C4'-P-C4' energy: -24.561
flat angles P-C4'-P energy: -16.729
tors. eta vs tors. theta energy: 1.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -493.841848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.841848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.841848 (E_RNA)
where:
Base-Base interactions energy: -340.667
where: short stacking energy: -136.574
Base-Backbone interact. energy: -0.391
local terms energy: -152.783868
where:
bonds (distance) C4'-P energy: -25.663
bonds (distance) P-C4' energy: -34.298
flat angles C4'-P-C4' energy: -30.976
flat angles P-C4'-P energy: -19.987
tors. eta vs tors. theta energy: -41.860
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: 6
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -503.180069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.180069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.180069 (E_RNA)
where:
Base-Base interactions energy: -349.285
where: short stacking energy: -145.894
Base-Backbone interact. energy: -0.745
local terms energy: -153.150258
where:
bonds (distance) C4'-P energy: -26.641
bonds (distance) P-C4' energy: -32.423
flat angles C4'-P-C4' energy: -30.701
flat angles P-C4'-P energy: -22.204
tors. eta vs tors. theta energy: -41.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -426.781506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.781506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.781506 (E_RNA)
where:
Base-Base interactions energy: -287.161
where: short stacking energy: -124.711
Base-Backbone interact. energy: 0.091
local terms energy: -139.711276
where:
bonds (distance) C4'-P energy: -30.316
bonds (distance) P-C4' energy: -30.334
flat angles C4'-P-C4' energy: -29.043
flat angles P-C4'-P energy: -15.049
tors. eta vs tors. theta energy: -34.970
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: 10
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -431.550810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.550810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.550810 (E_RNA)
where:
Base-Base interactions energy: -310.744
where: short stacking energy: -123.426
Base-Backbone interact. energy: -0.145
local terms energy: -120.661346
where:
bonds (distance) C4'-P energy: -19.561
bonds (distance) P-C4' energy: -27.869
flat angles C4'-P-C4' energy: -26.345
flat angles P-C4'-P energy: -17.296
tors. eta vs tors. theta energy: -29.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -418.831769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.831769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.831769 (E_RNA)
where:
Base-Base interactions energy: -288.535
where: short stacking energy: -116.290
Base-Backbone interact. energy: -1.691
local terms energy: -128.605184
where:
bonds (distance) C4'-P energy: -29.724
bonds (distance) P-C4' energy: -22.794
flat angles C4'-P-C4' energy: -30.708
flat angles P-C4'-P energy: -18.616
tors. eta vs tors. theta energy: -26.763
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: 79
Temperature: 1.150000
Total energy: -312.750488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.750488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.750488 (E_RNA)
where:
Base-Base interactions energy: -198.830
where: short stacking energy: -92.254
Base-Backbone interact. energy: -0.502
local terms energy: -113.419210
where:
bonds (distance) C4'-P energy: -24.115
bonds (distance) P-C4' energy: -26.713
flat angles C4'-P-C4' energy: -25.155
flat angles P-C4'-P energy: -14.890
tors. eta vs tors. theta energy: -22.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -365.392301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.392301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.392301 (E_RNA)
where:
Base-Base interactions energy: -244.782
where: short stacking energy: -94.563
Base-Backbone interact. energy: -0.494
local terms energy: -120.116541
where:
bonds (distance) C4'-P energy: -23.800
bonds (distance) P-C4' energy: -29.789
flat angles C4'-P-C4' energy: -32.127
flat angles P-C4'-P energy: -15.496
tors. eta vs tors. theta energy: -18.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -258.621247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.621247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.621247 (E_RNA)
where:
Base-Base interactions energy: -154.459
where: short stacking energy: -73.485
Base-Backbone interact. energy: -0.201
local terms energy: -103.961755
where:
bonds (distance) C4'-P energy: -21.795
bonds (distance) P-C4' energy: -25.462
flat angles C4'-P-C4' energy: -24.418
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -19.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -234.766159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.766159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.766159 (E_RNA)
where:
Base-Base interactions energy: -132.880
where: short stacking energy: -84.501
Base-Backbone interact. energy: -0.835
local terms energy: -101.051097
where:
bonds (distance) C4'-P energy: -20.877
bonds (distance) P-C4' energy: -21.369
flat angles C4'-P-C4' energy: -27.351
flat angles P-C4'-P energy: -15.128
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: 10, replica: 2
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -142.538966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.538966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.538966 (E_RNA)
where:
Base-Base interactions energy: -48.017
where: short stacking energy: -40.359
Base-Backbone interact. energy: -0.847
local terms energy: -93.674535
where:
bonds (distance) C4'-P energy: -25.367
bonds (distance) P-C4' energy: -29.687
flat angles C4'-P-C4' energy: -28.668
flat angles P-C4'-P energy: -6.142
tors. eta vs tors. theta energy: -3.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -509.792133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.792133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.792133 (E_RNA)
where:
Base-Base interactions energy: -349.392
where: short stacking energy: -150.943
Base-Backbone interact. energy: -0.417
local terms energy: -159.983240
where:
bonds (distance) C4'-P energy: -28.532
bonds (distance) P-C4' energy: -32.597
flat angles C4'-P-C4' energy: -36.606
flat angles P-C4'-P energy: -19.438
tors. eta vs tors. theta energy: -42.811
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: 80
Temperature: 0.950000
Total energy: -484.576187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.576187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.576187 (E_RNA)
where:
Base-Base interactions energy: -337.531
where: short stacking energy: -138.601
Base-Backbone interact. energy: -0.905
local terms energy: -146.139515
where:
bonds (distance) C4'-P energy: -25.979
bonds (distance) P-C4' energy: -29.170
flat angles C4'-P-C4' energy: -29.284
flat angles P-C4'-P energy: -21.075
tors. eta vs tors. theta energy: -40.632
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: 10
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -454.357574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.357574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.357574 (E_RNA)
where:
Base-Base interactions energy: -332.510
where: short stacking energy: -141.778
Base-Backbone interact. energy: -0.676
local terms energy: -121.171276
where:
bonds (distance) C4'-P energy: -14.722
bonds (distance) P-C4' energy: -29.663
flat angles C4'-P-C4' energy: -30.211
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -35.819
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: 5
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -428.136056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.136056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.136056 (E_RNA)
where:
Base-Base interactions energy: -294.990
where: short stacking energy: -123.581
Base-Backbone interact. energy: -0.686
local terms energy: -132.459427
where:
bonds (distance) C4'-P energy: -25.365
bonds (distance) P-C4' energy: -31.861
flat angles C4'-P-C4' energy: -29.356
flat angles P-C4'-P energy: -13.613
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: 8
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -403.113383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.113383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.113383 (E_RNA)
where:
Base-Base interactions energy: -291.464
where: short stacking energy: -120.358
Base-Backbone interact. energy: 0.941
local terms energy: -112.590698
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -25.673
flat angles C4'-P-C4' energy: -26.282
flat angles P-C4'-P energy: -17.282
tors. eta vs tors. theta energy: -25.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -306.213967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.213967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.213967 (E_RNA)
where:
Base-Base interactions energy: -192.558
where: short stacking energy: -79.139
Base-Backbone interact. energy: -0.607
local terms energy: -113.048368
where:
bonds (distance) C4'-P energy: -25.895
bonds (distance) P-C4' energy: -26.817
flat angles C4'-P-C4' energy: -24.479
flat angles P-C4'-P energy: -16.051
tors. eta vs tors. theta energy: -19.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -338.985707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.985707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.985707 (E_RNA)
where:
Base-Base interactions energy: -250.827
where: short stacking energy: -106.191
Base-Backbone interact. energy: -0.831
local terms energy: -87.327625
where:
bonds (distance) C4'-P energy: -19.716
bonds (distance) P-C4' energy: -16.711
flat angles C4'-P-C4' energy: -22.567
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -16.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -274.264512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.264512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.264512 (E_RNA)
where:
Base-Base interactions energy: -170.814
where: short stacking energy: -93.514
Base-Backbone interact. energy: 0.765
local terms energy: -104.215733
where:
bonds (distance) C4'-P energy: -26.180
bonds (distance) P-C4' energy: -23.583
flat angles C4'-P-C4' energy: -28.226
flat angles P-C4'-P energy: -4.538
tors. eta vs tors. theta energy: -21.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -141.135761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.135761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.135761 (E_RNA)
where:
Base-Base interactions energy: -50.729
where: short stacking energy: -41.777
Base-Backbone interact. energy: -0.903
local terms energy: -89.503567
where:
bonds (distance) C4'-P energy: -28.771
bonds (distance) P-C4' energy: -27.541
flat angles C4'-P-C4' energy: -24.019
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: 2.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -207.214481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.214481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.214481 (E_RNA)
where:
Base-Base interactions energy: -111.233
where: short stacking energy: -55.050
Base-Backbone interact. energy: -0.220
local terms energy: -95.761245
where:
bonds (distance) C4'-P energy: -20.128
bonds (distance) P-C4' energy: -27.764
flat angles C4'-P-C4' energy: -23.062
flat angles P-C4'-P energy: -16.740
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: 1, replica: 6
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -499.954151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.954151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.954151 (E_RNA)
where:
Base-Base interactions energy: -358.348
where: short stacking energy: -142.142
Base-Backbone interact. energy: -0.227
local terms energy: -141.378955
where:
bonds (distance) C4'-P energy: -24.792
bonds (distance) P-C4' energy: -32.810
flat angles C4'-P-C4' energy: -25.581
flat angles P-C4'-P energy: -21.424
tors. eta vs tors. theta energy: -36.772
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: 1
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -474.019480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.019480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.019480 (E_RNA)
where:
Base-Base interactions energy: -329.883
where: short stacking energy: -138.246
Base-Backbone interact. energy: -0.200
local terms energy: -143.936367
where:
bonds (distance) C4'-P energy: -25.605
bonds (distance) P-C4' energy: -27.763
flat angles C4'-P-C4' energy: -31.729
flat angles P-C4'-P energy: -22.227
tors. eta vs tors. theta energy: -36.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -462.574480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.574480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.574480 (E_RNA)
where:
Base-Base interactions energy: -321.823
where: short stacking energy: -130.257
Base-Backbone interact. energy: -0.211
local terms energy: -140.540607
where:
bonds (distance) C4'-P energy: -24.799
bonds (distance) P-C4' energy: -30.702
flat angles C4'-P-C4' energy: -32.510
flat angles P-C4'-P energy: -15.682
tors. eta vs tors. theta energy: -36.848
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: 5
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -407.469141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.469141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.469141 (E_RNA)
where:
Base-Base interactions energy: -274.845
where: short stacking energy: -127.650
Base-Backbone interact. energy: -0.099
local terms energy: -132.524649
where:
bonds (distance) C4'-P energy: -25.447
bonds (distance) P-C4' energy: -27.610
flat angles C4'-P-C4' energy: -27.847
flat angles P-C4'-P energy: -17.311
tors. eta vs tors. theta energy: -34.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -376.645108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.645108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.645108 (E_RNA)
where:
Base-Base interactions energy: -257.918
where: short stacking energy: -113.613
Base-Backbone interact. energy: -0.817
local terms energy: -117.909845
where:
bonds (distance) C4'-P energy: -25.635
bonds (distance) P-C4' energy: -21.017
flat angles C4'-P-C4' energy: -25.665
flat angles P-C4'-P energy: -17.192
tors. eta vs tors. theta energy: -28.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -364.615989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.615989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.615989 (E_RNA)
where:
Base-Base interactions energy: -245.596
where: short stacking energy: -97.369
Base-Backbone interact. energy: -1.605
local terms energy: -117.415590
where:
bonds (distance) C4'-P energy: -29.923
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -26.783
flat angles P-C4'-P energy: -18.488
tors. eta vs tors. theta energy: -22.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -313.921705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.921705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.921705 (E_RNA)
where:
Base-Base interactions energy: -212.117
where: short stacking energy: -97.423
Base-Backbone interact. energy: -0.763
local terms energy: -101.041309
where:
bonds (distance) C4'-P energy: -27.906
bonds (distance) P-C4' energy: -10.246
flat angles C4'-P-C4' energy: -28.506
flat angles P-C4'-P energy: -15.146
tors. eta vs tors. theta energy: -19.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -259.910239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.910239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.910239 (E_RNA)
where:
Base-Base interactions energy: -164.602
where: short stacking energy: -67.922
Base-Backbone interact. energy: -0.507
local terms energy: -94.801139
where:
bonds (distance) C4'-P energy: -18.240
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -28.633
flat angles P-C4'-P energy: -17.952
tors. eta vs tors. theta energy: -10.593
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: 2
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -137.124820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.124820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.124820 (E_RNA)
where:
Base-Base interactions energy: -49.634
where: short stacking energy: -46.750
Base-Backbone interact. energy: -1.226
local terms energy: -86.264893
where:
bonds (distance) C4'-P energy: -27.519
bonds (distance) P-C4' energy: -20.986
flat angles C4'-P-C4' energy: -27.905
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: 1.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -195.637238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.637238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.637238 (E_RNA)
where:
Base-Base interactions energy: -105.045
where: short stacking energy: -58.737
Base-Backbone interact. energy: 0.660
local terms energy: -91.252749
where:
bonds (distance) C4'-P energy: -27.820
bonds (distance) P-C4' energy: -23.822
flat angles C4'-P-C4' energy: -25.604
flat angles P-C4'-P energy: -1.185
tors. eta vs tors. theta energy: -12.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -504.607509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.607509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.607509 (E_RNA)
where:
Base-Base interactions energy: -352.679
where: short stacking energy: -159.153
Base-Backbone interact. energy: -0.584
local terms energy: -151.344270
where:
bonds (distance) C4'-P energy: -27.936
bonds (distance) P-C4' energy: -23.913
flat angles C4'-P-C4' energy: -33.495
flat angles P-C4'-P energy: -23.803
tors. eta vs tors. theta energy: -42.197
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: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -489.116638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.116638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.116638 (E_RNA)
where:
Base-Base interactions energy: -340.045
where: short stacking energy: -147.471
Base-Backbone interact. energy: -1.055
local terms energy: -148.016658
where:
bonds (distance) C4'-P energy: -28.782
bonds (distance) P-C4' energy: -29.280
flat angles C4'-P-C4' energy: -32.563
flat angles P-C4'-P energy: -18.711
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: 3, replica: 10
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -467.324158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.324158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.324158 (E_RNA)
where:
Base-Base interactions energy: -326.752
where: short stacking energy: -134.078
Base-Backbone interact. energy: -0.013
local terms energy: -140.559103
where:
bonds (distance) C4'-P energy: -28.955
bonds (distance) P-C4' energy: -32.214
flat angles C4'-P-C4' energy: -24.612
flat angles P-C4'-P energy: -15.854
tors. eta vs tors. theta energy: -38.924
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: 5
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -412.868516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.868516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.868516 (E_RNA)
where:
Base-Base interactions energy: -291.311
where: short stacking energy: -115.933
Base-Backbone interact. energy: -0.739
local terms energy: -120.818517
where:
bonds (distance) C4'-P energy: -21.320
bonds (distance) P-C4' energy: -31.909
flat angles C4'-P-C4' energy: -30.191
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -27.433
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: 5, replica: 3
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -384.582534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.582534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.582534 (E_RNA)
where:
Base-Base interactions energy: -257.894
where: short stacking energy: -106.876
Base-Backbone interact. energy: -0.162
local terms energy: -126.526478
where:
bonds (distance) C4'-P energy: -27.995
bonds (distance) P-C4' energy: -27.297
flat angles C4'-P-C4' energy: -22.979
flat angles P-C4'-P energy: -23.640
tors. eta vs tors. theta energy: -24.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -376.532593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.532593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.532593 (E_RNA)
where:
Base-Base interactions energy: -242.946
where: short stacking energy: -107.959
Base-Backbone interact. energy: -0.131
local terms energy: -133.455514
where:
bonds (distance) C4'-P energy: -26.394
bonds (distance) P-C4' energy: -27.518
flat angles C4'-P-C4' energy: -30.734
flat angles P-C4'-P energy: -20.852
tors. eta vs tors. theta energy: -27.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -298.256411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.256411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.256411 (E_RNA)
where:
Base-Base interactions energy: -184.809
where: short stacking energy: -81.271
Base-Backbone interact. energy: -0.156
local terms energy: -113.291502
where:
bonds (distance) C4'-P energy: -27.561
bonds (distance) P-C4' energy: -25.556
flat angles C4'-P-C4' energy: -21.314
flat angles P-C4'-P energy: -18.213
tors. eta vs tors. theta energy: -20.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -276.973876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.973876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.973876 (E_RNA)
where:
Base-Base interactions energy: -168.887
where: short stacking energy: -78.377
Base-Backbone interact. energy: -0.772
local terms energy: -107.314979
where:
bonds (distance) C4'-P energy: -25.818
bonds (distance) P-C4' energy: -26.079
flat angles C4'-P-C4' energy: -28.564
flat angles P-C4'-P energy: -14.745
tors. eta vs tors. theta energy: -12.110
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: 9, replica: 4
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -199.193811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.193811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.193811 (E_RNA)
where:
Base-Base interactions energy: -93.492
where: short stacking energy: -49.261
Base-Backbone interact. energy: 0.204
local terms energy: -105.905844
where:
bonds (distance) C4'-P energy: -27.157
bonds (distance) P-C4' energy: -27.894
flat angles C4'-P-C4' energy: -26.041
flat angles P-C4'-P energy: -22.526
tors. eta vs tors. theta energy: -2.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -140.275968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.275968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.275968 (E_RNA)
where:
Base-Base interactions energy: -63.814
where: short stacking energy: -45.281
Base-Backbone interact. energy: -0.195
local terms energy: -76.267255
where:
bonds (distance) C4'-P energy: -27.200
bonds (distance) P-C4' energy: -22.416
flat angles C4'-P-C4' energy: -16.645
flat angles P-C4'-P energy: -5.960
tors. eta vs tors. theta energy: -4.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -503.894198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.894198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.894198 (E_RNA)
where:
Base-Base interactions energy: -360.875
where: short stacking energy: -157.800
Base-Backbone interact. energy: -0.098
local terms energy: -142.921021
where:
bonds (distance) C4'-P energy: -23.686
bonds (distance) P-C4' energy: -30.653
flat angles C4'-P-C4' energy: -29.970
flat angles P-C4'-P energy: -20.519
tors. eta vs tors. theta energy: -38.092
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: 83
Temperature: 0.950000
Total energy: -483.949299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.949299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.949299 (E_RNA)
where:
Base-Base interactions energy: -341.377
where: short stacking energy: -148.924
Base-Backbone interact. energy: -0.006
local terms energy: -142.565948
where:
bonds (distance) C4'-P energy: -29.606
bonds (distance) P-C4' energy: -27.987
flat angles C4'-P-C4' energy: -25.503
flat angles P-C4'-P energy: -21.354
tors. eta vs tors. theta energy: -38.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -476.729788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.729788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.729788 (E_RNA)
where:
Base-Base interactions energy: -334.997
where: short stacking energy: -137.106
Base-Backbone interact. energy: -0.699
local terms energy: -141.033307
where:
bonds (distance) C4'-P energy: -31.261
bonds (distance) P-C4' energy: -26.299
flat angles C4'-P-C4' energy: -28.820
flat angles P-C4'-P energy: -15.764
tors. eta vs tors. theta energy: -38.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -427.287899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.287899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.287899 (E_RNA)
where:
Base-Base interactions energy: -295.680
where: short stacking energy: -112.113
Base-Backbone interact. energy: -0.128
local terms energy: -131.480559
where:
bonds (distance) C4'-P energy: -28.552
bonds (distance) P-C4' energy: -25.137
flat angles C4'-P-C4' energy: -32.586
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -33.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -397.637274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.637274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.637274 (E_RNA)
where:
Base-Base interactions energy: -279.347
where: short stacking energy: -106.960
Base-Backbone interact. energy: -0.337
local terms energy: -117.952445
where:
bonds (distance) C4'-P energy: -26.142
bonds (distance) P-C4' energy: -24.512
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -13.597
tors. eta vs tors. theta energy: -30.207
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: 8
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -385.151233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.151233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.151233 (E_RNA)
where:
Base-Base interactions energy: -257.975
where: short stacking energy: -104.424
Base-Backbone interact. energy: 1.324
local terms energy: -128.500361
where:
bonds (distance) C4'-P energy: -29.801
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -25.495
flat angles P-C4'-P energy: -21.911
tors. eta vs tors. theta energy: -30.195
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: 7
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -290.173514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.173514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.173514 (E_RNA)
where:
Base-Base interactions energy: -187.757
where: short stacking energy: -86.298
Base-Backbone interact. energy: 0.850
local terms energy: -103.266636
where:
bonds (distance) C4'-P energy: -22.779
bonds (distance) P-C4' energy: -25.002
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -19.880
tors. eta vs tors. theta energy: -20.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -208.118182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.118182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.118182 (E_RNA)
where:
Base-Base interactions energy: -116.747
where: short stacking energy: -65.130
Base-Backbone interact. energy: -0.466
local terms energy: -90.905378
where:
bonds (distance) C4'-P energy: -21.602
bonds (distance) P-C4' energy: -29.008
flat angles C4'-P-C4' energy: -28.479
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -6.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -230.648060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.648060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.648060 (E_RNA)
where:
Base-Base interactions energy: -131.403
where: short stacking energy: -78.325
Base-Backbone interact. energy: -0.344
local terms energy: -98.901222
where:
bonds (distance) C4'-P energy: -21.287
bonds (distance) P-C4' energy: -19.859
flat angles C4'-P-C4' energy: -24.276
flat angles P-C4'-P energy: -23.593
tors. eta vs tors. theta energy: -9.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -132.003577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.003577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.003577 (E_RNA)
where:
Base-Base interactions energy: -45.938
where: short stacking energy: -33.700
Base-Backbone interact. energy: -0.291
local terms energy: -85.774670
where:
bonds (distance) C4'-P energy: -25.297
bonds (distance) P-C4' energy: -33.164
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -14.128
tors. eta vs tors. theta energy: 4.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -511.465679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.465679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.465679 (E_RNA)
where:
Base-Base interactions energy: -347.692
where: short stacking energy: -145.753
Base-Backbone interact. energy: -0.324
local terms energy: -163.450139
where:
bonds (distance) C4'-P energy: -30.147
bonds (distance) P-C4' energy: -29.365
flat angles C4'-P-C4' energy: -32.727
flat angles P-C4'-P energy: -25.266
tors. eta vs tors. theta energy: -45.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -479.163534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.163534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.163534 (E_RNA)
where:
Base-Base interactions energy: -339.893
where: short stacking energy: -145.484
Base-Backbone interact. energy: 1.168
local terms energy: -140.438854
where:
bonds (distance) C4'-P energy: -28.549
bonds (distance) P-C4' energy: -26.175
flat angles C4'-P-C4' energy: -29.863
flat angles P-C4'-P energy: -19.975
tors. eta vs tors. theta energy: -35.876
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: 1
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -487.296779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.296779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.296779 (E_RNA)
where:
Base-Base interactions energy: -346.194
where: short stacking energy: -139.631
Base-Backbone interact. energy: -1.059
local terms energy: -140.044254
where:
bonds (distance) C4'-P energy: -29.488
bonds (distance) P-C4' energy: -26.258
flat angles C4'-P-C4' energy: -32.709
flat angles P-C4'-P energy: -13.192
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: 4, replica: 3
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -439.680039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.680039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.680039 (E_RNA)
where:
Base-Base interactions energy: -303.919
where: short stacking energy: -128.559
Base-Backbone interact. energy: -0.459
local terms energy: -135.302281
where:
bonds (distance) C4'-P energy: -24.977
bonds (distance) P-C4' energy: -28.940
flat angles C4'-P-C4' energy: -28.882
flat angles P-C4'-P energy: -15.717
tors. eta vs tors. theta energy: -36.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -410.079349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.079349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.079349 (E_RNA)
where:
Base-Base interactions energy: -285.245
where: short stacking energy: -119.203
Base-Backbone interact. energy: 1.194
local terms energy: -126.028104
where:
bonds (distance) C4'-P energy: -30.639
bonds (distance) P-C4' energy: -24.711
flat angles C4'-P-C4' energy: -26.736
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -32.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -382.593216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.593216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.593216 (E_RNA)
where:
Base-Base interactions energy: -277.272
where: short stacking energy: -110.566
Base-Backbone interact. energy: 1.880
local terms energy: -107.200488
where:
bonds (distance) C4'-P energy: -19.268
bonds (distance) P-C4' energy: -23.662
flat angles C4'-P-C4' energy: -24.709
flat angles P-C4'-P energy: -14.881
tors. eta vs tors. theta energy: -24.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -325.505395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.505395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.505395 (E_RNA)
where:
Base-Base interactions energy: -210.413
where: short stacking energy: -93.342
Base-Backbone interact. energy: 0.611
local terms energy: -115.703608
where:
bonds (distance) C4'-P energy: -24.304
bonds (distance) P-C4' energy: -21.314
flat angles C4'-P-C4' energy: -27.761
flat angles P-C4'-P energy: -21.082
tors. eta vs tors. theta energy: -21.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -220.645282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.645282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.645282 (E_RNA)
where:
Base-Base interactions energy: -130.444
where: short stacking energy: -77.416
Base-Backbone interact. energy: -0.224
local terms energy: -89.977566
where:
bonds (distance) C4'-P energy: -20.240
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -23.586
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -13.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -212.156256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.156256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.156256 (E_RNA)
where:
Base-Base interactions energy: -116.220
where: short stacking energy: -63.025
Base-Backbone interact. energy: -0.387
local terms energy: -95.548586
where:
bonds (distance) C4'-P energy: -26.161
bonds (distance) P-C4' energy: -21.733
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -16.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -128.784818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.784818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.784818 (E_RNA)
where:
Base-Base interactions energy: -48.466
where: short stacking energy: -32.951
Base-Backbone interact. energy: -1.854
local terms energy: -78.465282
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -30.361
flat angles C4'-P-C4' energy: -22.251
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: 5.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -504.262383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.262383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.262383 (E_RNA)
where:
Base-Base interactions energy: -350.237
where: short stacking energy: -151.925
Base-Backbone interact. energy: -0.373
local terms energy: -153.652473
where:
bonds (distance) C4'-P energy: -24.908
bonds (distance) P-C4' energy: -28.140
flat angles C4'-P-C4' energy: -34.050
flat angles P-C4'-P energy: -22.500
tors. eta vs tors. theta energy: -44.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -474.378753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.378753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.378753 (E_RNA)
where:
Base-Base interactions energy: -331.631
where: short stacking energy: -136.135
Base-Backbone interact. energy: -0.053
local terms energy: -142.694418
where:
bonds (distance) C4'-P energy: -25.183
bonds (distance) P-C4' energy: -28.535
flat angles C4'-P-C4' energy: -31.311
flat angles P-C4'-P energy: -17.585
tors. eta vs tors. theta energy: -40.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -471.159097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.159097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.159097 (E_RNA)
where:
Base-Base interactions energy: -334.998
where: short stacking energy: -140.029
Base-Backbone interact. energy: -0.141
local terms energy: -136.020080
where:
bonds (distance) C4'-P energy: -24.774
bonds (distance) P-C4' energy: -26.448
flat angles C4'-P-C4' energy: -26.039
flat angles P-C4'-P energy: -19.798
tors. eta vs tors. theta energy: -38.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -451.634270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.634270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.634270 (E_RNA)
where:
Base-Base interactions energy: -320.562
where: short stacking energy: -133.854
Base-Backbone interact. energy: -0.262
local terms energy: -130.809405
where:
bonds (distance) C4'-P energy: -28.772
bonds (distance) P-C4' energy: -19.022
flat angles C4'-P-C4' energy: -30.017
flat angles P-C4'-P energy: -13.503
tors. eta vs tors. theta energy: -39.495
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: 5
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -387.056571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.056571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.056571 (E_RNA)
where:
Base-Base interactions energy: -258.496
where: short stacking energy: -106.828
Base-Backbone interact. energy: -0.354
local terms energy: -128.207181
where:
bonds (distance) C4'-P energy: -27.695
bonds (distance) P-C4' energy: -28.719
flat angles C4'-P-C4' energy: -27.459
flat angles P-C4'-P energy: -17.964
tors. eta vs tors. theta energy: -26.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -360.018608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.018608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.018608 (E_RNA)
where:
Base-Base interactions energy: -237.625
where: short stacking energy: -106.088
Base-Backbone interact. energy: -0.046
local terms energy: -122.347249
where:
bonds (distance) C4'-P energy: -27.166
bonds (distance) P-C4' energy: -18.310
flat angles C4'-P-C4' energy: -23.730
flat angles P-C4'-P energy: -19.927
tors. eta vs tors. theta energy: -33.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -369.579693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.579693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.579693 (E_RNA)
where:
Base-Base interactions energy: -248.624
where: short stacking energy: -111.196
Base-Backbone interact. energy: -0.500
local terms energy: -120.456091
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -25.762
flat angles C4'-P-C4' energy: -29.454
flat angles P-C4'-P energy: -22.221
tors. eta vs tors. theta energy: -26.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -274.448811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.448811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.448811 (E_RNA)
where:
Base-Base interactions energy: -178.867
where: short stacking energy: -99.402
Base-Backbone interact. energy: -0.872
local terms energy: -94.709551
where:
bonds (distance) C4'-P energy: -22.019
bonds (distance) P-C4' energy: -23.351
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -20.850
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: 9, replica: 4
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -216.906423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.906423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.906423 (E_RNA)
where:
Base-Base interactions energy: -123.615
where: short stacking energy: -60.585
Base-Backbone interact. energy: -1.816
local terms energy: -91.474991
where:
bonds (distance) C4'-P energy: -28.413
bonds (distance) P-C4' energy: -22.364
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -17.691
tors. eta vs tors. theta energy: -5.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -129.475684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.475684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.475684 (E_RNA)
where:
Base-Base interactions energy: -52.604
where: short stacking energy: -28.628
Base-Backbone interact. energy: 2.291
local terms energy: -79.162399
where:
bonds (distance) C4'-P energy: -26.778
bonds (distance) P-C4' energy: -24.913
flat angles C4'-P-C4' energy: -21.750
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: 4.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -476.816083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.816083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.816083 (E_RNA)
where:
Base-Base interactions energy: -335.481
where: short stacking energy: -137.717
Base-Backbone interact. energy: 0.060
local terms energy: -141.395947
where:
bonds (distance) C4'-P energy: -28.150
bonds (distance) P-C4' energy: -26.042
flat angles C4'-P-C4' energy: -29.006
flat angles P-C4'-P energy: -20.424
tors. eta vs tors. theta energy: -37.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -500.175090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.175090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.175090 (E_RNA)
where:
Base-Base interactions energy: -351.640
where: short stacking energy: -145.749
Base-Backbone interact. energy: -0.398
local terms energy: -148.137186
where:
bonds (distance) C4'-P energy: -26.914
bonds (distance) P-C4' energy: -26.938
flat angles C4'-P-C4' energy: -34.330
flat angles P-C4'-P energy: -17.029
tors. eta vs tors. theta energy: -42.926
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: 10
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -459.532772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.532772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.532772 (E_RNA)
where:
Base-Base interactions energy: -326.779
where: short stacking energy: -141.398
Base-Backbone interact. energy: -0.653
local terms energy: -132.101036
where:
bonds (distance) C4'-P energy: -31.081
bonds (distance) P-C4' energy: -21.949
flat angles C4'-P-C4' energy: -25.783
flat angles P-C4'-P energy: -18.371
tors. eta vs tors. theta energy: -34.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -454.949686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.949686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.949686 (E_RNA)
where:
Base-Base interactions energy: -315.246
where: short stacking energy: -116.861
Base-Backbone interact. energy: -0.954
local terms energy: -138.748978
where:
bonds (distance) C4'-P energy: -27.378
bonds (distance) P-C4' energy: -27.504
flat angles C4'-P-C4' energy: -33.628
flat angles P-C4'-P energy: -22.348
tors. eta vs tors. theta energy: -27.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -410.177825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.177825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.177825 (E_RNA)
where:
Base-Base interactions energy: -287.851
where: short stacking energy: -119.718
Base-Backbone interact. energy: -0.429
local terms energy: -121.898387
where:
bonds (distance) C4'-P energy: -26.015
bonds (distance) P-C4' energy: -22.425
flat angles C4'-P-C4' energy: -28.268
flat angles P-C4'-P energy: -13.709
tors. eta vs tors. theta energy: -31.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -363.332236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.332236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.332236 (E_RNA)
where:
Base-Base interactions energy: -234.332
where: short stacking energy: -105.019
Base-Backbone interact. energy: -0.360
local terms energy: -128.639941
where:
bonds (distance) C4'-P energy: -27.788
bonds (distance) P-C4' energy: -26.776
flat angles C4'-P-C4' energy: -24.560
flat angles P-C4'-P energy: -24.466
tors. eta vs tors. theta energy: -25.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -358.919282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.919282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.919282 (E_RNA)
where:
Base-Base interactions energy: -254.991
where: short stacking energy: -103.008
Base-Backbone interact. energy: 0.893
local terms energy: -104.822103
where:
bonds (distance) C4'-P energy: -19.277
bonds (distance) P-C4' energy: -19.898
flat angles C4'-P-C4' energy: -26.962
flat angles P-C4'-P energy: -15.516
tors. eta vs tors. theta energy: -23.169
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: 9
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -289.716325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.716325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.716325 (E_RNA)
where:
Base-Base interactions energy: -175.163
where: short stacking energy: -85.842
Base-Backbone interact. energy: -1.485
local terms energy: -113.068877
where:
bonds (distance) C4'-P energy: -23.984
bonds (distance) P-C4' energy: -22.469
flat angles C4'-P-C4' energy: -32.017
flat angles P-C4'-P energy: -15.507
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: 4
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -208.287423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.287423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.287423 (E_RNA)
where:
Base-Base interactions energy: -113.535
where: short stacking energy: -56.217
Base-Backbone interact. energy: -0.436
local terms energy: -94.315993
where:
bonds (distance) C4'-P energy: -21.436
bonds (distance) P-C4' energy: -24.393
flat angles C4'-P-C4' energy: -24.943
flat angles P-C4'-P energy: -16.599
tors. eta vs tors. theta energy: -6.944
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: 2
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -145.758633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.758633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.758633 (E_RNA)
where:
Base-Base interactions energy: -68.382
where: short stacking energy: -52.760
Base-Backbone interact. energy: -0.056
local terms energy: -77.320589
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -24.216
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -6.595
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: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -481.263134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.263134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.263134 (E_RNA)
where:
Base-Base interactions energy: -343.650
where: short stacking energy: -135.157
Base-Backbone interact. energy: -0.861
local terms energy: -136.751844
where:
bonds (distance) C4'-P energy: -24.559
bonds (distance) P-C4' energy: -29.879
flat angles C4'-P-C4' energy: -34.317
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -33.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -494.789400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.789400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.789400 (E_RNA)
where:
Base-Base interactions energy: -341.309
where: short stacking energy: -140.521
Base-Backbone interact. energy: -0.198
local terms energy: -153.282616
where:
bonds (distance) C4'-P energy: -25.841
bonds (distance) P-C4' energy: -31.554
flat angles C4'-P-C4' energy: -33.420
flat angles P-C4'-P energy: -20.042
tors. eta vs tors. theta energy: -42.426
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: 3, replica: 10
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -462.566902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.566902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.566902 (E_RNA)
where:
Base-Base interactions energy: -316.528
where: short stacking energy: -136.583
Base-Backbone interact. energy: 0.811
local terms energy: -146.849456
where:
bonds (distance) C4'-P energy: -29.363
bonds (distance) P-C4' energy: -28.619
flat angles C4'-P-C4' energy: -28.105
flat angles P-C4'-P energy: -22.989
tors. eta vs tors. theta energy: -37.773
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: 3
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -445.806747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.806747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.806747 (E_RNA)
where:
Base-Base interactions energy: -318.769
where: short stacking energy: -131.424
Base-Backbone interact. energy: -0.252
local terms energy: -126.785946
where:
bonds (distance) C4'-P energy: -23.043
bonds (distance) P-C4' energy: -27.186
flat angles C4'-P-C4' energy: -22.391
flat angles P-C4'-P energy: -20.248
tors. eta vs tors. theta energy: -33.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -398.541457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.541457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.541457 (E_RNA)
where:
Base-Base interactions energy: -280.707
where: short stacking energy: -103.843
Base-Backbone interact. energy: -2.207
local terms energy: -115.627322
where:
bonds (distance) C4'-P energy: -19.036
bonds (distance) P-C4' energy: -30.755
flat angles C4'-P-C4' energy: -27.876
flat angles P-C4'-P energy: -13.336
tors. eta vs tors. theta energy: -24.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -383.520848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.520848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.520848 (E_RNA)
where:
Base-Base interactions energy: -269.889
where: short stacking energy: -112.307
Base-Backbone interact. energy: -1.994
local terms energy: -111.637113
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -24.907
flat angles C4'-P-C4' energy: -28.080
flat angles P-C4'-P energy: -20.721
tors. eta vs tors. theta energy: -24.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -374.986534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.986534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.986534 (E_RNA)
where:
Base-Base interactions energy: -253.820
where: short stacking energy: -120.283
Base-Backbone interact. energy: -1.971
local terms energy: -119.195593
where:
bonds (distance) C4'-P energy: -21.021
bonds (distance) P-C4' energy: -24.764
flat angles C4'-P-C4' energy: -30.202
flat angles P-C4'-P energy: -16.013
tors. eta vs tors. theta energy: -27.196
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: 9
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -267.101158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.101158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.101158 (E_RNA)
where:
Base-Base interactions energy: -174.293
where: short stacking energy: -95.760
Base-Backbone interact. energy: 0.713
local terms energy: -93.521143
where:
bonds (distance) C4'-P energy: -10.876
bonds (distance) P-C4' energy: -21.546
flat angles C4'-P-C4' energy: -27.445
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -26.775
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: 4
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -209.696888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.696888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.696888 (E_RNA)
where:
Base-Base interactions energy: -127.843
where: short stacking energy: -70.525
Base-Backbone interact. energy: -0.583
local terms energy: -81.270985
where:
bonds (distance) C4'-P energy: -21.856
bonds (distance) P-C4' energy: -19.760
flat angles C4'-P-C4' energy: -24.053
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -5.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -116.044852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.044852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.044852 (E_RNA)
where:
Base-Base interactions energy: -41.637
where: short stacking energy: -40.314
Base-Backbone interact. energy: -0.703
local terms energy: -73.705070
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -23.402
flat angles C4'-P-C4' energy: -19.753
flat angles P-C4'-P energy: -18.289
tors. eta vs tors. theta energy: 2.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -484.805975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.805975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.805975 (E_RNA)
where:
Base-Base interactions energy: -342.585
where: short stacking energy: -146.437
Base-Backbone interact. energy: 0.037
local terms energy: -142.257972
where:
bonds (distance) C4'-P energy: -29.638
bonds (distance) P-C4' energy: -30.764
flat angles C4'-P-C4' energy: -28.016
flat angles P-C4'-P energy: -15.770
tors. eta vs tors. theta energy: -38.070
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: 2, replica: 6
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -494.219329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.219329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.219329 (E_RNA)
where:
Base-Base interactions energy: -346.780
where: short stacking energy: -147.915
Base-Backbone interact. energy: -0.546
local terms energy: -146.893127
where:
bonds (distance) C4'-P energy: -27.751
bonds (distance) P-C4' energy: -22.848
flat angles C4'-P-C4' energy: -28.049
flat angles P-C4'-P energy: -23.721
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: 3, replica: 3
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -487.213687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.213687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.213687 (E_RNA)
where:
Base-Base interactions energy: -342.102
where: short stacking energy: -137.087
Base-Backbone interact. energy: -2.161
local terms energy: -142.950909
where:
bonds (distance) C4'-P energy: -29.084
bonds (distance) P-C4' energy: -26.836
flat angles C4'-P-C4' energy: -33.179
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -41.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -447.410263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.410263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.410263 (E_RNA)
where:
Base-Base interactions energy: -323.324
where: short stacking energy: -130.188
Base-Backbone interact. energy: -0.894
local terms energy: -123.192475
where:
bonds (distance) C4'-P energy: -23.498
bonds (distance) P-C4' energy: -26.622
flat angles C4'-P-C4' energy: -26.230
flat angles P-C4'-P energy: -13.675
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: 5, replica: 8
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -409.760596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.760596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.760596 (E_RNA)
where:
Base-Base interactions energy: -278.778
where: short stacking energy: -127.096
Base-Backbone interact. energy: -0.974
local terms energy: -130.008111
where:
bonds (distance) C4'-P energy: -19.942
bonds (distance) P-C4' energy: -33.341
flat angles C4'-P-C4' energy: -29.989
flat angles P-C4'-P energy: -14.587
tors. eta vs tors. theta energy: -32.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -388.291411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.291411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.291411 (E_RNA)
where:
Base-Base interactions energy: -264.661
where: short stacking energy: -104.607
Base-Backbone interact. energy: 0.158
local terms energy: -123.788314
where:
bonds (distance) C4'-P energy: -26.980
bonds (distance) P-C4' energy: -24.503
flat angles C4'-P-C4' energy: -26.424
flat angles P-C4'-P energy: -17.354
tors. eta vs tors. theta energy: -28.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -387.754538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.754538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.754538 (E_RNA)
where:
Base-Base interactions energy: -257.013
where: short stacking energy: -101.979
Base-Backbone interact. energy: -0.493
local terms energy: -130.248421
where:
bonds (distance) C4'-P energy: -22.340
bonds (distance) P-C4' energy: -25.436
flat angles C4'-P-C4' energy: -31.074
flat angles P-C4'-P energy: -21.378
tors. eta vs tors. theta energy: -30.021
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: 8, replica: 9
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -244.733845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.733845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.733845 (E_RNA)
where:
Base-Base interactions energy: -144.492
where: short stacking energy: -68.833
Base-Backbone interact. energy: -0.520
local terms energy: -99.722065
where:
bonds (distance) C4'-P energy: -21.973
bonds (distance) P-C4' energy: -28.891
flat angles C4'-P-C4' energy: -25.729
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -11.031
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: 4
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -220.116276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.116276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.116276 (E_RNA)
where:
Base-Base interactions energy: -133.085
where: short stacking energy: -73.202
Base-Backbone interact. energy: 2.334
local terms energy: -89.365047
where:
bonds (distance) C4'-P energy: -24.809
bonds (distance) P-C4' energy: -25.537
flat angles C4'-P-C4' energy: -19.358
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -9.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -139.245181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.245181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.245181 (E_RNA)
where:
Base-Base interactions energy: -57.264
where: short stacking energy: -57.264
Base-Backbone interact. energy: -0.063
local terms energy: -81.918257
where:
bonds (distance) C4'-P energy: -23.945
bonds (distance) P-C4' energy: -24.550
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -6.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -490.119237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.119237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.119237 (E_RNA)
where:
Base-Base interactions energy: -337.698
where: short stacking energy: -136.740
Base-Backbone interact. energy: -0.290
local terms energy: -152.132083
where:
bonds (distance) C4'-P energy: -35.570
bonds (distance) P-C4' energy: -29.985
flat angles C4'-P-C4' energy: -33.388
flat angles P-C4'-P energy: -16.660
tors. eta vs tors. theta energy: -36.530
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: 3
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -491.238189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.238189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.238189 (E_RNA)
where:
Base-Base interactions energy: -338.292
where: short stacking energy: -146.720
Base-Backbone interact. energy: -0.065
local terms energy: -152.881763
where:
bonds (distance) C4'-P energy: -25.523
bonds (distance) P-C4' energy: -28.660
flat angles C4'-P-C4' energy: -33.122
flat angles P-C4'-P energy: -20.805
tors. eta vs tors. theta energy: -44.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -488.963666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.963666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.963666 (E_RNA)
where:
Base-Base interactions energy: -348.208
where: short stacking energy: -132.658
Base-Backbone interact. energy: -0.155
local terms energy: -140.600172
where:
bonds (distance) C4'-P energy: -27.327
bonds (distance) P-C4' energy: -24.501
flat angles C4'-P-C4' energy: -28.400
flat angles P-C4'-P energy: -21.611
tors. eta vs tors. theta energy: -38.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -433.428915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.428915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.428915 (E_RNA)
where:
Base-Base interactions energy: -308.502
where: short stacking energy: -130.395
Base-Backbone interact. energy: -0.505
local terms energy: -124.421600
where:
bonds (distance) C4'-P energy: -24.133
bonds (distance) P-C4' energy: -20.311
flat angles C4'-P-C4' energy: -27.076
flat angles P-C4'-P energy: -17.842
tors. eta vs tors. theta energy: -35.060
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: 10
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -454.712010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.712010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.712010 (E_RNA)
where:
Base-Base interactions energy: -327.075
where: short stacking energy: -135.904
Base-Backbone interact. energy: -0.686
local terms energy: -126.950871
where:
bonds (distance) C4'-P energy: -25.672
bonds (distance) P-C4' energy: -21.134
flat angles C4'-P-C4' energy: -29.064
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -36.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -335.573754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.573754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.573754 (E_RNA)
where:
Base-Base interactions energy: -222.234
where: short stacking energy: -113.391
Base-Backbone interact. energy: -0.184
local terms energy: -113.155179
where:
bonds (distance) C4'-P energy: -27.045
bonds (distance) P-C4' energy: -18.202
flat angles C4'-P-C4' energy: -25.032
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -28.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -356.611836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.611836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.611836 (E_RNA)
where:
Base-Base interactions energy: -259.322
where: short stacking energy: -99.046
Base-Backbone interact. energy: -0.588
local terms energy: -96.702001
where:
bonds (distance) C4'-P energy: -25.513
bonds (distance) P-C4' energy: -13.273
flat angles C4'-P-C4' energy: -22.103
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -21.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -228.465174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.465174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.465174 (E_RNA)
where:
Base-Base interactions energy: -121.261
where: short stacking energy: -54.814
Base-Backbone interact. energy: -0.619
local terms energy: -106.585063
where:
bonds (distance) C4'-P energy: -24.371
bonds (distance) P-C4' energy: -27.533
flat angles C4'-P-C4' energy: -27.496
flat angles P-C4'-P energy: -23.546
tors. eta vs tors. theta energy: -3.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -245.317219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.317219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.317219 (E_RNA)
where:
Base-Base interactions energy: -151.154
where: short stacking energy: -65.625
Base-Backbone interact. energy: -0.467
local terms energy: -93.695942
where:
bonds (distance) C4'-P energy: -20.958
bonds (distance) P-C4' energy: -23.305
flat angles C4'-P-C4' energy: -23.159
flat angles P-C4'-P energy: -18.866
tors. eta vs tors. theta energy: -7.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -139.014817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.014817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.014817 (E_RNA)
where:
Base-Base interactions energy: -56.702
where: short stacking energy: -44.734
Base-Backbone interact. energy: -0.081
local terms energy: -82.231880
where:
bonds (distance) C4'-P energy: -20.985
bonds (distance) P-C4' energy: -23.487
flat angles C4'-P-C4' energy: -26.192
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -1.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -506.190346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.190346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.190346 (E_RNA)
where:
Base-Base interactions energy: -363.671
where: short stacking energy: -141.451
Base-Backbone interact. energy: -0.048
local terms energy: -142.471543
where:
bonds (distance) C4'-P energy: -27.611
bonds (distance) P-C4' energy: -26.694
flat angles C4'-P-C4' energy: -31.306
flat angles P-C4'-P energy: -16.252
tors. eta vs tors. theta energy: -40.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -475.680460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.680460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.680460 (E_RNA)
where:
Base-Base interactions energy: -339.380
where: short stacking energy: -132.091
Base-Backbone interact. energy: 0.132
local terms energy: -136.432940
where:
bonds (distance) C4'-P energy: -29.348
bonds (distance) P-C4' energy: -28.150
flat angles C4'-P-C4' energy: -28.064
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -37.188
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: 6
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -503.962650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.962650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.962650 (E_RNA)
where:
Base-Base interactions energy: -346.852
where: short stacking energy: -142.544
Base-Backbone interact. energy: -0.491
local terms energy: -156.619390
where:
bonds (distance) C4'-P energy: -30.250
bonds (distance) P-C4' energy: -31.820
flat angles C4'-P-C4' energy: -29.997
flat angles P-C4'-P energy: -19.751
tors. eta vs tors. theta energy: -44.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -449.823231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.823231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.823231 (E_RNA)
where:
Base-Base interactions energy: -314.103
where: short stacking energy: -130.957
Base-Backbone interact. energy: 3.240
local terms energy: -138.960014
where:
bonds (distance) C4'-P energy: -24.167
bonds (distance) P-C4' energy: -26.908
flat angles C4'-P-C4' energy: -30.580
flat angles P-C4'-P energy: -19.883
tors. eta vs tors. theta energy: -37.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -444.553310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.553310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.553310 (E_RNA)
where:
Base-Base interactions energy: -312.460
where: short stacking energy: -132.054
Base-Backbone interact. energy: 1.621
local terms energy: -133.714213
where:
bonds (distance) C4'-P energy: -26.474
bonds (distance) P-C4' energy: -25.472
flat angles C4'-P-C4' energy: -25.883
flat angles P-C4'-P energy: -18.890
tors. eta vs tors. theta energy: -36.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -354.179570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.179570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.179570 (E_RNA)
where:
Base-Base interactions energy: -231.190
where: short stacking energy: -109.090
Base-Backbone interact. energy: -0.137
local terms energy: -122.852879
where:
bonds (distance) C4'-P energy: -22.969
bonds (distance) P-C4' energy: -25.765
flat angles C4'-P-C4' energy: -28.297
flat angles P-C4'-P energy: -17.600
tors. eta vs tors. theta energy: -28.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -361.745301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.745301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.745301 (E_RNA)
where:
Base-Base interactions energy: -246.158
where: short stacking energy: -107.225
Base-Backbone interact. energy: -0.978
local terms energy: -114.608827
where:
bonds (distance) C4'-P energy: -28.444
bonds (distance) P-C4' energy: -22.818
flat angles C4'-P-C4' energy: -22.210
flat angles P-C4'-P energy: -16.102
tors. eta vs tors. theta energy: -25.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -225.531868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.531868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.531868 (E_RNA)
where:
Base-Base interactions energy: -126.948
where: short stacking energy: -61.975
Base-Backbone interact. energy: -0.848
local terms energy: -97.735951
where:
bonds (distance) C4'-P energy: -24.486
bonds (distance) P-C4' energy: -27.959
flat angles C4'-P-C4' energy: -19.333
flat angles P-C4'-P energy: -17.986
tors. eta vs tors. theta energy: -7.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -261.424374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.424374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.424374 (E_RNA)
where:
Base-Base interactions energy: -163.719
where: short stacking energy: -81.084
Base-Backbone interact. energy: 0.825
local terms energy: -98.530018
where:
bonds (distance) C4'-P energy: -26.264
bonds (distance) P-C4' energy: -21.014
flat angles C4'-P-C4' energy: -24.902
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -16.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -139.234505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.234505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.234505 (E_RNA)
where:
Base-Base interactions energy: -62.701
where: short stacking energy: -45.434
Base-Backbone interact. energy: -0.263
local terms energy: -76.269926
where:
bonds (distance) C4'-P energy: -19.528
bonds (distance) P-C4' energy: -23.811
flat angles C4'-P-C4' energy: -20.746
flat angles P-C4'-P energy: -13.078
tors. eta vs tors. theta energy: 0.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -514.542147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.542147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.542147 (E_RNA)
where:
Base-Base interactions energy: -368.024
where: short stacking energy: -158.596
Base-Backbone interact. energy: -0.827
local terms energy: -145.691478
where:
bonds (distance) C4'-P energy: -26.477
bonds (distance) P-C4' energy: -27.257
flat angles C4'-P-C4' energy: -32.227
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: -42.634
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: 6
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -498.298118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.298118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.298118 (E_RNA)
where:
Base-Base interactions energy: -343.818
where: short stacking energy: -145.947
Base-Backbone interact. energy: -0.092
local terms energy: -154.387720
where:
bonds (distance) C4'-P energy: -27.003
bonds (distance) P-C4' energy: -21.772
flat angles C4'-P-C4' energy: -31.397
flat angles P-C4'-P energy: -27.642
tors. eta vs tors. theta energy: -46.574
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: 91
Temperature: 1.000000
Total energy: -473.434591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.434591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.434591 (E_RNA)
where:
Base-Base interactions energy: -335.898
where: short stacking energy: -139.126
Base-Backbone interact. energy: -1.783
local terms energy: -135.754161
where:
bonds (distance) C4'-P energy: -26.049
bonds (distance) P-C4' energy: -24.707
flat angles C4'-P-C4' energy: -31.873
flat angles P-C4'-P energy: -17.966
tors. eta vs tors. theta energy: -35.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -450.776344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.776344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.776344 (E_RNA)
where:
Base-Base interactions energy: -318.495
where: short stacking energy: -129.381
Base-Backbone interact. energy: -0.618
local terms energy: -131.663940
where:
bonds (distance) C4'-P energy: -25.837
bonds (distance) P-C4' energy: -28.072
flat angles C4'-P-C4' energy: -26.641
flat angles P-C4'-P energy: -15.167
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: 5, replica: 8
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -435.779625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.779625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.779625 (E_RNA)
where:
Base-Base interactions energy: -308.769
where: short stacking energy: -126.138
Base-Backbone interact. energy: 2.544
local terms energy: -129.554397
where:
bonds (distance) C4'-P energy: -21.027
bonds (distance) P-C4' energy: -25.672
flat angles C4'-P-C4' energy: -30.265
flat angles P-C4'-P energy: -23.250
tors. eta vs tors. theta energy: -29.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -376.285193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.285193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.285193 (E_RNA)
where:
Base-Base interactions energy: -253.214
where: short stacking energy: -117.046
Base-Backbone interact. energy: -0.585
local terms energy: -122.486632
where:
bonds (distance) C4'-P energy: -22.493
bonds (distance) P-C4' energy: -24.576
flat angles C4'-P-C4' energy: -33.065
flat angles P-C4'-P energy: -19.111
tors. eta vs tors. theta energy: -23.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -377.843053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.843053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.843053 (E_RNA)
where:
Base-Base interactions energy: -252.267
where: short stacking energy: -107.287
Base-Backbone interact. energy: -0.155
local terms energy: -125.421345
where:
bonds (distance) C4'-P energy: -23.923
bonds (distance) P-C4' energy: -30.023
flat angles C4'-P-C4' energy: -26.073
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: -32.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -282.212695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.212695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.212695 (E_RNA)
where:
Base-Base interactions energy: -169.719
where: short stacking energy: -74.461
Base-Backbone interact. energy: -0.088
local terms energy: -112.404879
where:
bonds (distance) C4'-P energy: -27.286
bonds (distance) P-C4' energy: -30.936
flat angles C4'-P-C4' energy: -26.222
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -14.477
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: 91
Temperature: 1.300000
Total energy: -206.418824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.418824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.418824 (E_RNA)
where:
Base-Base interactions energy: -115.338
where: short stacking energy: -64.623
Base-Backbone interact. energy: -0.974
local terms energy: -90.106914
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -33.216
flat angles C4'-P-C4' energy: -27.177
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -5.189
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: 2
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -138.064676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.064676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.064676 (E_RNA)
where:
Base-Base interactions energy: -57.580
where: short stacking energy: -39.167
Base-Backbone interact. energy: 1.020
local terms energy: -81.504916
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -32.600
flat angles C4'-P-C4' energy: -18.990
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: 0.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -517.232530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.232530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.232530 (E_RNA)
where:
Base-Base interactions energy: -367.107
where: short stacking energy: -148.068
Base-Backbone interact. energy: 0.301
local terms energy: -150.426270
where:
bonds (distance) C4'-P energy: -30.488
bonds (distance) P-C4' energy: -27.787
flat angles C4'-P-C4' energy: -31.358
flat angles P-C4'-P energy: -17.927
tors. eta vs tors. theta energy: -42.867
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: 6
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -500.732371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.732371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.732371 (E_RNA)
where:
Base-Base interactions energy: -346.504
where: short stacking energy: -139.437
Base-Backbone interact. energy: -0.874
local terms energy: -153.354616
where:
bonds (distance) C4'-P energy: -29.609
bonds (distance) P-C4' energy: -27.432
flat angles C4'-P-C4' energy: -32.108
flat angles P-C4'-P energy: -27.510
tors. eta vs tors. theta energy: -36.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -455.806419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.806419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.806419 (E_RNA)
where:
Base-Base interactions energy: -321.709
where: short stacking energy: -134.649
Base-Backbone interact. energy: -0.075
local terms energy: -134.021863
where:
bonds (distance) C4'-P energy: -28.407
bonds (distance) P-C4' energy: -28.276
flat angles C4'-P-C4' energy: -28.290
flat angles P-C4'-P energy: -14.907
tors. eta vs tors. theta energy: -34.143
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: 1
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -466.427135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.427135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.427135 (E_RNA)
where:
Base-Base interactions energy: -324.069
where: short stacking energy: -126.574
Base-Backbone interact. energy: -0.762
local terms energy: -141.596088
where:
bonds (distance) C4'-P energy: -28.306
bonds (distance) P-C4' energy: -34.003
flat angles C4'-P-C4' energy: -27.645
flat angles P-C4'-P energy: -17.086
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: 5, replica: 5
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -398.978159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.978159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.978159 (E_RNA)
where:
Base-Base interactions energy: -267.364
where: short stacking energy: -127.377
Base-Backbone interact. energy: -0.151
local terms energy: -131.463349
where:
bonds (distance) C4'-P energy: -30.736
bonds (distance) P-C4' energy: -23.500
flat angles C4'-P-C4' energy: -25.193
flat angles P-C4'-P energy: -19.032
tors. eta vs tors. theta energy: -33.003
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: 6, replica: 8
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -433.916539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.916539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.916539 (E_RNA)
where:
Base-Base interactions energy: -313.688
where: short stacking energy: -132.939
Base-Backbone interact. energy: 0.993
local terms energy: -121.221207
where:
bonds (distance) C4'-P energy: -23.250
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -26.982
flat angles P-C4'-P energy: -18.790
tors. eta vs tors. theta energy: -36.148
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: 7
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -381.526052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.526052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.526052 (E_RNA)
where:
Base-Base interactions energy: -271.485
where: short stacking energy: -111.036
Base-Backbone interact. energy: -0.635
local terms energy: -109.405844
where:
bonds (distance) C4'-P energy: -22.018
bonds (distance) P-C4' energy: -21.393
flat angles C4'-P-C4' energy: -22.406
flat angles P-C4'-P energy: -15.656
tors. eta vs tors. theta energy: -27.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -278.934043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.934043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.934043 (E_RNA)
where:
Base-Base interactions energy: -183.363
where: short stacking energy: -85.302
Base-Backbone interact. energy: -0.874
local terms energy: -94.697263
where:
bonds (distance) C4'-P energy: -18.992
bonds (distance) P-C4' energy: -26.810
flat angles C4'-P-C4' energy: -23.573
flat angles P-C4'-P energy: -15.264
tors. eta vs tors. theta energy: -10.059
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: 92
Temperature: 1.300000
Total energy: -218.055027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.055027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.055027 (E_RNA)
where:
Base-Base interactions energy: -125.926
where: short stacking energy: -64.103
Base-Backbone interact. energy: -1.128
local terms energy: -91.001013
where:
bonds (distance) C4'-P energy: -20.099
bonds (distance) P-C4' energy: -24.449
flat angles C4'-P-C4' energy: -22.962
flat angles P-C4'-P energy: -14.189
tors. eta vs tors. theta energy: -9.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -133.945349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.945349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.945349 (E_RNA)
where:
Base-Base interactions energy: -44.762
where: short stacking energy: -44.044
Base-Backbone interact. energy: -0.817
local terms energy: -88.365701
where:
bonds (distance) C4'-P energy: -22.445
bonds (distance) P-C4' energy: -30.928
flat angles C4'-P-C4' energy: -27.371
flat angles P-C4'-P energy: -15.459
tors. eta vs tors. theta energy: 7.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -498.389694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.389694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.389694 (E_RNA)
where:
Base-Base interactions energy: -351.478
where: short stacking energy: -145.466
Base-Backbone interact. energy: -0.548
local terms energy: -146.364128
where:
bonds (distance) C4'-P energy: -29.000
bonds (distance) P-C4' energy: -27.842
flat angles C4'-P-C4' energy: -29.754
flat angles P-C4'-P energy: -20.661
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: 2, replica: 6
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -502.498744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.498744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.498744 (E_RNA)
where:
Base-Base interactions energy: -352.248
where: short stacking energy: -144.248
Base-Backbone interact. energy: -0.025
local terms energy: -150.225390
where:
bonds (distance) C4'-P energy: -29.914
bonds (distance) P-C4' energy: -21.381
flat angles C4'-P-C4' energy: -31.431
flat angles P-C4'-P energy: -25.259
tors. eta vs tors. theta energy: -42.241
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: 10
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -466.519382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.519382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.519382 (E_RNA)
where:
Base-Base interactions energy: -330.476
where: short stacking energy: -140.584
Base-Backbone interact. energy: -0.172
local terms energy: -135.871111
where:
bonds (distance) C4'-P energy: -24.900
bonds (distance) P-C4' energy: -26.279
flat angles C4'-P-C4' energy: -26.148
flat angles P-C4'-P energy: -22.841
tors. eta vs tors. theta energy: -35.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -430.786637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.786637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.786637 (E_RNA)
where:
Base-Base interactions energy: -284.766
where: short stacking energy: -133.602
Base-Backbone interact. energy: -0.346
local terms energy: -145.674371
where:
bonds (distance) C4'-P energy: -23.431
bonds (distance) P-C4' energy: -32.232
flat angles C4'-P-C4' energy: -28.564
flat angles P-C4'-P energy: -25.346
tors. eta vs tors. theta energy: -36.101
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: 1
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -462.848320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.848320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.848320 (E_RNA)
where:
Base-Base interactions energy: -333.931
where: short stacking energy: -128.091
Base-Backbone interact. energy: -0.521
local terms energy: -128.396086
where:
bonds (distance) C4'-P energy: -25.592
bonds (distance) P-C4' energy: -19.597
flat angles C4'-P-C4' energy: -28.494
flat angles P-C4'-P energy: -19.404
tors. eta vs tors. theta energy: -35.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -401.613955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.613955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.613955 (E_RNA)
where:
Base-Base interactions energy: -272.840
where: short stacking energy: -112.860
Base-Backbone interact. energy: -0.442
local terms energy: -128.331780
where:
bonds (distance) C4'-P energy: -22.897
bonds (distance) P-C4' energy: -24.647
flat angles C4'-P-C4' energy: -27.223
flat angles P-C4'-P energy: -23.629
tors. eta vs tors. theta energy: -29.936
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: 7
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -341.121777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.121777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.121777 (E_RNA)
where:
Base-Base interactions energy: -240.790
where: short stacking energy: -109.815
Base-Backbone interact. energy: -0.924
local terms energy: -99.407347
where:
bonds (distance) C4'-P energy: -18.128
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -24.062
flat angles P-C4'-P energy: -20.831
tors. eta vs tors. theta energy: -22.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -298.010125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.010125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.010125 (E_RNA)
where:
Base-Base interactions energy: -190.178
where: short stacking energy: -92.814
Base-Backbone interact. energy: -0.223
local terms energy: -107.608979
where:
bonds (distance) C4'-P energy: -26.027
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -26.265
flat angles P-C4'-P energy: -20.400
tors. eta vs tors. theta energy: -17.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -203.035443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.035443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.035443 (E_RNA)
where:
Base-Base interactions energy: -125.873
where: short stacking energy: -60.379
Base-Backbone interact. energy: -0.252
local terms energy: -76.909978
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -22.033
flat angles C4'-P-C4' energy: -20.363
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -4.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -129.674626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.674626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.674626 (E_RNA)
where:
Base-Base interactions energy: -41.937
where: short stacking energy: -41.180
Base-Backbone interact. energy: -0.520
local terms energy: -87.217422
where:
bonds (distance) C4'-P energy: -27.923
bonds (distance) P-C4' energy: -26.376
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: -0.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -508.731930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.731930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.731930 (E_RNA)
where:
Base-Base interactions energy: -354.170
where: short stacking energy: -156.239
Base-Backbone interact. energy: -1.052
local terms energy: -153.509367
where:
bonds (distance) C4'-P energy: -27.092
bonds (distance) P-C4' energy: -32.585
flat angles C4'-P-C4' energy: -30.800
flat angles P-C4'-P energy: -18.518
tors. eta vs tors. theta energy: -44.515
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: 94
Temperature: 0.950000
Total energy: -507.687012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.687012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.687012 (E_RNA)
where:
Base-Base interactions energy: -354.861
where: short stacking energy: -137.855
Base-Backbone interact. energy: -0.178
local terms energy: -152.647210
where:
bonds (distance) C4'-P energy: -34.014
bonds (distance) P-C4' energy: -29.785
flat angles C4'-P-C4' energy: -30.937
flat angles P-C4'-P energy: -19.506
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: 3, replica: 10
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -467.342166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.342166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.342166 (E_RNA)
where:
Base-Base interactions energy: -330.349
where: short stacking energy: -137.570
Base-Backbone interact. energy: -0.378
local terms energy: -136.615270
where:
bonds (distance) C4'-P energy: -26.982
bonds (distance) P-C4' energy: -28.949
flat angles C4'-P-C4' energy: -28.085
flat angles P-C4'-P energy: -15.964
tors. eta vs tors. theta energy: -36.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -425.543834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.543834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.543834 (E_RNA)
where:
Base-Base interactions energy: -287.763
where: short stacking energy: -134.509
Base-Backbone interact. energy: -0.122
local terms energy: -137.659256
where:
bonds (distance) C4'-P energy: -26.460
bonds (distance) P-C4' energy: -25.992
flat angles C4'-P-C4' energy: -26.894
flat angles P-C4'-P energy: -24.811
tors. eta vs tors. theta energy: -33.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -445.092717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.092717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.092717 (E_RNA)
where:
Base-Base interactions energy: -315.736
where: short stacking energy: -122.532
Base-Backbone interact. energy: 0.887
local terms energy: -130.243625
where:
bonds (distance) C4'-P energy: -22.608
bonds (distance) P-C4' energy: -30.293
flat angles C4'-P-C4' energy: -25.017
flat angles P-C4'-P energy: -20.968
tors. eta vs tors. theta energy: -31.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -403.528409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.528409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.528409 (E_RNA)
where:
Base-Base interactions energy: -281.205
where: short stacking energy: -125.098
Base-Backbone interact. energy: -1.318
local terms energy: -121.005794
where:
bonds (distance) C4'-P energy: -24.328
bonds (distance) P-C4' energy: -25.723
flat angles C4'-P-C4' energy: -23.056
flat angles P-C4'-P energy: -15.495
tors. eta vs tors. theta energy: -32.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -354.826069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.826069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.826069 (E_RNA)
where:
Base-Base interactions energy: -232.326
where: short stacking energy: -104.973
Base-Backbone interact. energy: -0.151
local terms energy: -122.349606
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -28.719
flat angles C4'-P-C4' energy: -28.847
flat angles P-C4'-P energy: -18.660
tors. eta vs tors. theta energy: -28.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -277.684202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.684202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.684202 (E_RNA)
where:
Base-Base interactions energy: -185.316
where: short stacking energy: -83.336
Base-Backbone interact. energy: 0.289
local terms energy: -92.657206
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -28.002
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -17.237
tors. eta vs tors. theta energy: -11.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -199.930857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.930857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.930857 (E_RNA)
where:
Base-Base interactions energy: -120.298
where: short stacking energy: -60.046
Base-Backbone interact. energy: -0.416
local terms energy: -79.216920
where:
bonds (distance) C4'-P energy: -26.503
bonds (distance) P-C4' energy: -28.554
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: 1.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -140.265582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.265582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.265582 (E_RNA)
where:
Base-Base interactions energy: -61.315
where: short stacking energy: -57.239
Base-Backbone interact. energy: -0.617
local terms energy: -78.333713
where:
bonds (distance) C4'-P energy: -21.296
bonds (distance) P-C4' energy: -28.872
flat angles C4'-P-C4' energy: -9.398
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -6.918
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: 1, replica: 6
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -514.066668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.066668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.066668 (E_RNA)
where:
Base-Base interactions energy: -360.611
where: short stacking energy: -150.280
Base-Backbone interact. energy: -0.341
local terms energy: -153.115243
where:
bonds (distance) C4'-P energy: -25.635
bonds (distance) P-C4' energy: -30.132
flat angles C4'-P-C4' energy: -31.849
flat angles P-C4'-P energy: -22.637
tors. eta vs tors. theta energy: -42.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -504.899427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.899427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.899427 (E_RNA)
where:
Base-Base interactions energy: -367.947
where: short stacking energy: -150.145
Base-Backbone interact. energy: -1.863
local terms energy: -135.089724
where:
bonds (distance) C4'-P energy: -18.778
bonds (distance) P-C4' energy: -25.823
flat angles C4'-P-C4' energy: -31.273
flat angles P-C4'-P energy: -17.447
tors. eta vs tors. theta energy: -41.767
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: 10
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -467.479782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.479782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.479782 (E_RNA)
where:
Base-Base interactions energy: -327.111
where: short stacking energy: -119.922
Base-Backbone interact. energy: 0.252
local terms energy: -140.621322
where:
bonds (distance) C4'-P energy: -30.234
bonds (distance) P-C4' energy: -24.058
flat angles C4'-P-C4' energy: -31.172
flat angles P-C4'-P energy: -21.161
tors. eta vs tors. theta energy: -33.997
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: 5
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -417.902386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.902386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.902386 (E_RNA)
where:
Base-Base interactions energy: -280.957
where: short stacking energy: -118.677
Base-Backbone interact. energy: -1.248
local terms energy: -135.697713
where:
bonds (distance) C4'-P energy: -28.332
bonds (distance) P-C4' energy: -26.628
flat angles C4'-P-C4' energy: -25.913
flat angles P-C4'-P energy: -20.064
tors. eta vs tors. theta energy: -34.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -453.500898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.500898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.500898 (E_RNA)
where:
Base-Base interactions energy: -338.640
where: short stacking energy: -131.037
Base-Backbone interact. energy: -0.696
local terms energy: -114.164783
where:
bonds (distance) C4'-P energy: -17.826
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -24.752
flat angles P-C4'-P energy: -20.140
tors. eta vs tors. theta energy: -31.711
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: 6, replica: 8
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -405.473489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.473489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.473489 (E_RNA)
where:
Base-Base interactions energy: -287.556
where: short stacking energy: -110.776
Base-Backbone interact. energy: -1.606
local terms energy: -116.312353
where:
bonds (distance) C4'-P energy: -21.259
bonds (distance) P-C4' energy: -25.771
flat angles C4'-P-C4' energy: -24.717
flat angles P-C4'-P energy: -15.743
tors. eta vs tors. theta energy: -28.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -355.843169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.843169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.843169 (E_RNA)
where:
Base-Base interactions energy: -230.237
where: short stacking energy: -95.955
Base-Backbone interact. energy: 0.300
local terms energy: -125.905609
where:
bonds (distance) C4'-P energy: -29.972
bonds (distance) P-C4' energy: -26.951
flat angles C4'-P-C4' energy: -31.008
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -24.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -261.558993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.558993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.558993 (E_RNA)
where:
Base-Base interactions energy: -170.054
where: short stacking energy: -85.812
Base-Backbone interact. energy: -0.477
local terms energy: -91.027267
where:
bonds (distance) C4'-P energy: -20.357
bonds (distance) P-C4' energy: -25.922
flat angles C4'-P-C4' energy: -21.262
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -13.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -195.177110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.177110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.177110 (E_RNA)
where:
Base-Base interactions energy: -99.757
where: short stacking energy: -56.844
Base-Backbone interact. energy: -0.425
local terms energy: -94.995133
where:
bonds (distance) C4'-P energy: -27.938
bonds (distance) P-C4' energy: -24.517
flat angles C4'-P-C4' energy: -27.246
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -3.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -137.302384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.302384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.302384 (E_RNA)
where:
Base-Base interactions energy: -67.826
where: short stacking energy: -41.426
Base-Backbone interact. energy: 1.003
local terms energy: -70.479963
where:
bonds (distance) C4'-P energy: -21.875
bonds (distance) P-C4' energy: -24.850
flat angles C4'-P-C4' energy: -19.663
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: 3.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -506.774470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.774470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.774470 (E_RNA)
where:
Base-Base interactions energy: -346.029
where: short stacking energy: -134.119
Base-Backbone interact. energy: -0.993
local terms energy: -159.751883
where:
bonds (distance) C4'-P energy: -32.161
bonds (distance) P-C4' energy: -32.429
flat angles C4'-P-C4' energy: -31.719
flat angles P-C4'-P energy: -24.274
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: 2, replica: 3
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -497.204915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.204915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.204915 (E_RNA)
where:
Base-Base interactions energy: -356.747
where: short stacking energy: -141.873
Base-Backbone interact. energy: 0.062
local terms energy: -140.519681
where:
bonds (distance) C4'-P energy: -28.412
bonds (distance) P-C4' energy: -27.931
flat angles C4'-P-C4' energy: -31.759
flat angles P-C4'-P energy: -13.624
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: 10
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -482.897538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.897538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.897538 (E_RNA)
where:
Base-Base interactions energy: -347.576
where: short stacking energy: -142.719
Base-Backbone interact. energy: -0.746
local terms energy: -134.575302
where:
bonds (distance) C4'-P energy: -21.507
bonds (distance) P-C4' energy: -28.385
flat angles C4'-P-C4' energy: -27.640
flat angles P-C4'-P energy: -19.194
tors. eta vs tors. theta energy: -37.849
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: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -432.684141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.684141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.684141 (E_RNA)
where:
Base-Base interactions energy: -289.327
where: short stacking energy: -134.264
Base-Backbone interact. energy: -1.591
local terms energy: -141.766610
where:
bonds (distance) C4'-P energy: -31.620
bonds (distance) P-C4' energy: -24.886
flat angles C4'-P-C4' energy: -30.026
flat angles P-C4'-P energy: -16.800
tors. eta vs tors. theta energy: -38.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -447.000422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.000422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.000422 (E_RNA)
where:
Base-Base interactions energy: -317.153
where: short stacking energy: -119.496
Base-Backbone interact. energy: -0.337
local terms energy: -129.511184
where:
bonds (distance) C4'-P energy: -28.212
bonds (distance) P-C4' energy: -23.242
flat angles C4'-P-C4' energy: -27.725
flat angles P-C4'-P energy: -19.281
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: 6, replica: 8
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -423.649526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.649526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.649526 (E_RNA)
where:
Base-Base interactions energy: -293.703
where: short stacking energy: -124.625
Base-Backbone interact. energy: -0.148
local terms energy: -129.798592
where:
bonds (distance) C4'-P energy: -19.401
bonds (distance) P-C4' energy: -27.450
flat angles C4'-P-C4' energy: -25.889
flat angles P-C4'-P energy: -22.853
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: 7, replica: 7
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -331.242641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.242641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.242641 (E_RNA)
where:
Base-Base interactions energy: -224.765
where: short stacking energy: -100.066
Base-Backbone interact. energy: -1.432
local terms energy: -105.045701
where:
bonds (distance) C4'-P energy: -18.782
bonds (distance) P-C4' energy: -25.995
flat angles C4'-P-C4' energy: -24.860
flat angles P-C4'-P energy: -14.292
tors. eta vs tors. theta energy: -21.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -244.131489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.131489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.131489 (E_RNA)
where:
Base-Base interactions energy: -139.212
where: short stacking energy: -69.894
Base-Backbone interact. energy: -0.257
local terms energy: -104.662464
where:
bonds (distance) C4'-P energy: -21.152
bonds (distance) P-C4' energy: -28.019
flat angles C4'-P-C4' energy: -20.950
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -20.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -211.855395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.855395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.855395 (E_RNA)
where:
Base-Base interactions energy: -116.730
where: short stacking energy: -64.374
Base-Backbone interact. energy: -0.753
local terms energy: -94.372539
where:
bonds (distance) C4'-P energy: -19.470
bonds (distance) P-C4' energy: -24.848
flat angles C4'-P-C4' energy: -22.089
flat angles P-C4'-P energy: -19.549
tors. eta vs tors. theta energy: -8.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -143.063661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.063661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.063661 (E_RNA)
where:
Base-Base interactions energy: -65.935
where: short stacking energy: -37.451
Base-Backbone interact. energy: 0.064
local terms energy: -77.193423
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -24.388
flat angles C4'-P-C4' energy: -21.134
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -3.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -500.553744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.553744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.553744 (E_RNA)
where:
Base-Base interactions energy: -351.935
where: short stacking energy: -153.244
Base-Backbone interact. energy: -0.164
local terms energy: -148.454629
where:
bonds (distance) C4'-P energy: -31.178
bonds (distance) P-C4' energy: -30.216
flat angles C4'-P-C4' energy: -26.325
flat angles P-C4'-P energy: -18.311
tors. eta vs tors. theta energy: -42.424
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: 97
Temperature: 0.950000
Total energy: -483.278375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.278375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.278375 (E_RNA)
where:
Base-Base interactions energy: -343.124
where: short stacking energy: -141.740
Base-Backbone interact. energy: -0.688
local terms energy: -139.466731
where:
bonds (distance) C4'-P energy: -28.438
bonds (distance) P-C4' energy: -26.897
flat angles C4'-P-C4' energy: -26.702
flat angles P-C4'-P energy: -18.158
tors. eta vs tors. theta energy: -39.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -486.738537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.738537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.738537 (E_RNA)
where:
Base-Base interactions energy: -328.128
where: short stacking energy: -137.217
Base-Backbone interact. energy: -0.901
local terms energy: -157.709729
where:
bonds (distance) C4'-P energy: -28.964
bonds (distance) P-C4' energy: -30.781
flat angles C4'-P-C4' energy: -30.029
flat angles P-C4'-P energy: -25.171
tors. eta vs tors. theta energy: -42.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -447.040246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.040246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.040246 (E_RNA)
where:
Base-Base interactions energy: -317.267
where: short stacking energy: -124.237
Base-Backbone interact. energy: 0.100
local terms energy: -129.873698
where:
bonds (distance) C4'-P energy: -23.218
bonds (distance) P-C4' energy: -30.206
flat angles C4'-P-C4' energy: -26.125
flat angles P-C4'-P energy: -16.184
tors. eta vs tors. theta energy: -34.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -411.078286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.078286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.078286 (E_RNA)
where:
Base-Base interactions energy: -293.087
where: short stacking energy: -124.772
Base-Backbone interact. energy: 1.014
local terms energy: -119.005054
where:
bonds (distance) C4'-P energy: -21.810
bonds (distance) P-C4' energy: -22.473
flat angles C4'-P-C4' energy: -31.467
flat angles P-C4'-P energy: -16.010
tors. eta vs tors. theta energy: -27.245
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: 6, replica: 8
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -424.624200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.624200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.624200 (E_RNA)
where:
Base-Base interactions energy: -304.260
where: short stacking energy: -125.066
Base-Backbone interact. energy: -0.128
local terms energy: -120.236575
where:
bonds (distance) C4'-P energy: -27.767
bonds (distance) P-C4' energy: -26.182
flat angles C4'-P-C4' energy: -24.772
flat angles P-C4'-P energy: -8.689
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: 7, replica: 7
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -338.778635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.778635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.778635 (E_RNA)
where:
Base-Base interactions energy: -218.054
where: short stacking energy: -96.932
Base-Backbone interact. energy: -0.455
local terms energy: -120.269532
where:
bonds (distance) C4'-P energy: -33.616
bonds (distance) P-C4' energy: -24.532
flat angles C4'-P-C4' energy: -20.162
flat angles P-C4'-P energy: -19.090
tors. eta vs tors. theta energy: -22.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -256.810552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.810552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.810552 (E_RNA)
where:
Base-Base interactions energy: -157.932
where: short stacking energy: -61.062
Base-Backbone interact. energy: -1.439
local terms energy: -97.439734
where:
bonds (distance) C4'-P energy: -30.740
bonds (distance) P-C4' energy: -25.339
flat angles C4'-P-C4' energy: -18.110
flat angles P-C4'-P energy: -14.532
tors. eta vs tors. theta energy: -8.719
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: 4
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -218.408407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.408407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.408407 (E_RNA)
where:
Base-Base interactions energy: -117.018
where: short stacking energy: -67.476
Base-Backbone interact. energy: -0.625
local terms energy: -100.765135
where:
bonds (distance) C4'-P energy: -21.309
bonds (distance) P-C4' energy: -28.355
flat angles C4'-P-C4' energy: -24.830
flat angles P-C4'-P energy: -17.389
tors. eta vs tors. theta energy: -8.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -124.505496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.505496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.505496 (E_RNA)
where:
Base-Base interactions energy: -53.518
where: short stacking energy: -48.691
Base-Backbone interact. energy: 1.152
local terms energy: -72.139343
where:
bonds (distance) C4'-P energy: -18.456
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -19.842
flat angles P-C4'-P energy: -16.427
tors. eta vs tors. theta energy: 1.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -507.167013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.167013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.167013 (E_RNA)
where:
Base-Base interactions energy: -358.255
where: short stacking energy: -148.578
Base-Backbone interact. energy: -0.456
local terms energy: -148.455339
where:
bonds (distance) C4'-P energy: -27.863
bonds (distance) P-C4' energy: -30.538
flat angles C4'-P-C4' energy: -29.219
flat angles P-C4'-P energy: -21.607
tors. eta vs tors. theta energy: -39.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -494.401098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.401098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.401098 (E_RNA)
where:
Base-Base interactions energy: -353.648
where: short stacking energy: -141.403
Base-Backbone interact. energy: -0.139
local terms energy: -140.613514
where:
bonds (distance) C4'-P energy: -23.742
bonds (distance) P-C4' energy: -29.745
flat angles C4'-P-C4' energy: -29.227
flat angles P-C4'-P energy: -18.199
tors. eta vs tors. theta energy: -39.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -463.564391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.564391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.564391 (E_RNA)
where:
Base-Base interactions energy: -328.012
where: short stacking energy: -123.988
Base-Backbone interact. energy: 0.053
local terms energy: -135.605532
where:
bonds (distance) C4'-P energy: -27.627
bonds (distance) P-C4' energy: -26.766
flat angles C4'-P-C4' energy: -25.729
flat angles P-C4'-P energy: -18.864
tors. eta vs tors. theta energy: -36.619
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: 4, replica: 3
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -473.673499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.673499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.673499 (E_RNA)
where:
Base-Base interactions energy: -334.094
where: short stacking energy: -129.690
Base-Backbone interact. energy: -0.700
local terms energy: -138.878901
where:
bonds (distance) C4'-P energy: -27.367
bonds (distance) P-C4' energy: -26.652
flat angles C4'-P-C4' energy: -30.931
flat angles P-C4'-P energy: -15.134
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: 5, replica: 5
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -398.021754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.021754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.021754 (E_RNA)
where:
Base-Base interactions energy: -274.893
where: short stacking energy: -126.599
Base-Backbone interact. energy: -0.217
local terms energy: -122.912459
where:
bonds (distance) C4'-P energy: -25.446
bonds (distance) P-C4' energy: -25.560
flat angles C4'-P-C4' energy: -26.082
flat angles P-C4'-P energy: -13.767
tors. eta vs tors. theta energy: -32.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -417.996774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.996774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.996774 (E_RNA)
where:
Base-Base interactions energy: -292.012
where: short stacking energy: -112.598
Base-Backbone interact. energy: -0.773
local terms energy: -125.212096
where:
bonds (distance) C4'-P energy: -24.831
bonds (distance) P-C4' energy: -28.714
flat angles C4'-P-C4' energy: -24.966
flat angles P-C4'-P energy: -18.485
tors. eta vs tors. theta energy: -28.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -340.177604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.177604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.177604 (E_RNA)
where:
Base-Base interactions energy: -212.840
where: short stacking energy: -97.008
Base-Backbone interact. energy: -0.144
local terms energy: -127.193582
where:
bonds (distance) C4'-P energy: -27.009
bonds (distance) P-C4' energy: -22.425
flat angles C4'-P-C4' energy: -32.161
flat angles P-C4'-P energy: -16.911
tors. eta vs tors. theta energy: -28.687
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: 9
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -239.263968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.263968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.263968 (E_RNA)
where:
Base-Base interactions energy: -150.540
where: short stacking energy: -62.429
Base-Backbone interact. energy: -1.383
local terms energy: -87.341193
where:
bonds (distance) C4'-P energy: -23.915
bonds (distance) P-C4' energy: -22.231
flat angles C4'-P-C4' energy: -22.467
flat angles P-C4'-P energy: -13.206
tors. eta vs tors. theta energy: -5.522
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: 98
Temperature: 1.300000
Total energy: -204.446585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.446585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.446585 (E_RNA)
where:
Base-Base interactions energy: -105.494
where: short stacking energy: -51.684
Base-Backbone interact. energy: -1.077
local terms energy: -97.875647
where:
bonds (distance) C4'-P energy: -29.137
bonds (distance) P-C4' energy: -29.263
flat angles C4'-P-C4' energy: -26.583
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -1.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -146.286062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.286062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.286062 (E_RNA)
where:
Base-Base interactions energy: -63.225
where: short stacking energy: -54.685
Base-Backbone interact. energy: -0.215
local terms energy: -82.846585
where:
bonds (distance) C4'-P energy: -29.268
bonds (distance) P-C4' energy: -24.270
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -4.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -500.867505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.867505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.867505 (E_RNA)
where:
Base-Base interactions energy: -341.136
where: short stacking energy: -149.456
Base-Backbone interact. energy: -0.040
local terms energy: -159.691549
where:
bonds (distance) C4'-P energy: -31.807
bonds (distance) P-C4' energy: -24.897
flat angles C4'-P-C4' energy: -34.210
flat angles P-C4'-P energy: -22.328
tors. eta vs tors. theta energy: -46.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -486.759370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.759370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.759370 (E_RNA)
where:
Base-Base interactions energy: -345.386
where: short stacking energy: -143.323
Base-Backbone interact. energy: -0.308
local terms energy: -141.065317
where:
bonds (distance) C4'-P energy: -28.428
bonds (distance) P-C4' energy: -28.409
flat angles C4'-P-C4' energy: -30.737
flat angles P-C4'-P energy: -13.646
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: 3, replica: 1
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -479.143729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.143729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.143729 (E_RNA)
where:
Base-Base interactions energy: -336.081
where: short stacking energy: -132.473
Base-Backbone interact. energy: -0.874
local terms energy: -142.188883
where:
bonds (distance) C4'-P energy: -27.005
bonds (distance) P-C4' energy: -23.988
flat angles C4'-P-C4' energy: -31.755
flat angles P-C4'-P energy: -25.434
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: 4, replica: 3
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -467.467398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.467398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.467398 (E_RNA)
where:
Base-Base interactions energy: -327.582
where: short stacking energy: -139.897
Base-Backbone interact. energy: -0.115
local terms energy: -139.769852
where:
bonds (distance) C4'-P energy: -25.621
bonds (distance) P-C4' energy: -27.152
flat angles C4'-P-C4' energy: -30.689
flat angles P-C4'-P energy: -18.382
tors. eta vs tors. theta energy: -37.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -402.705191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.705191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.705191 (E_RNA)
where:
Base-Base interactions energy: -285.594
where: short stacking energy: -117.857
Base-Backbone interact. energy: 0.013
local terms energy: -117.124069
where:
bonds (distance) C4'-P energy: -22.269
bonds (distance) P-C4' energy: -24.893
flat angles C4'-P-C4' energy: -27.690
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -28.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -445.816036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.816036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.816036 (E_RNA)
where:
Base-Base interactions energy: -311.842
where: short stacking energy: -133.905
Base-Backbone interact. energy: -0.653
local terms energy: -133.320839
where:
bonds (distance) C4'-P energy: -22.910
bonds (distance) P-C4' energy: -26.914
flat angles C4'-P-C4' energy: -30.782
flat angles P-C4'-P energy: -19.041
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: 7, replica: 7
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -331.657355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.657355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.657355 (E_RNA)
where:
Base-Base interactions energy: -222.098
where: short stacking energy: -94.564
Base-Backbone interact. energy: -0.481
local terms energy: -109.078175
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -27.070
flat angles C4'-P-C4' energy: -24.402
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -23.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -207.624270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.624270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.624270 (E_RNA)
where:
Base-Base interactions energy: -108.068
where: short stacking energy: -53.365
Base-Backbone interact. energy: -0.027
local terms energy: -99.529698
where:
bonds (distance) C4'-P energy: -26.932
bonds (distance) P-C4' energy: -28.398
flat angles C4'-P-C4' energy: -20.303
flat angles P-C4'-P energy: -18.106
tors. eta vs tors. theta energy: -5.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -216.221363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.221363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.221363 (E_RNA)
where:
Base-Base interactions energy: -121.231
where: short stacking energy: -53.815
Base-Backbone interact. energy: -0.822
local terms energy: -94.168423
where:
bonds (distance) C4'-P energy: -20.852
bonds (distance) P-C4' energy: -31.599
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -16.000
tors. eta vs tors. theta energy: -11.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -119.876201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.876201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.876201 (E_RNA)
where:
Base-Base interactions energy: -52.476
where: short stacking energy: -27.798
Base-Backbone interact. energy: -0.630
local terms energy: -66.769661
where:
bonds (distance) C4'-P energy: -19.895
bonds (distance) P-C4' energy: -25.349
flat angles C4'-P-C4' energy: -25.123
flat angles P-C4'-P energy: -2.721
tors. eta vs tors. theta energy: 6.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -498.389230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.389230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.389230 (E_RNA)
where:
Base-Base interactions energy: -343.700
where: short stacking energy: -150.556
Base-Backbone interact. energy: -0.325
local terms energy: -154.364441
where:
bonds (distance) C4'-P energy: -25.511
bonds (distance) P-C4' energy: -28.737
flat angles C4'-P-C4' energy: -33.426
flat angles P-C4'-P energy: -21.620
tors. eta vs tors. theta energy: -45.071
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: 10
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -477.904543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.904543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.904543 (E_RNA)
where:
Base-Base interactions energy: -337.440
where: short stacking energy: -133.879
Base-Backbone interact. energy: -0.318
local terms energy: -140.146784
where:
bonds (distance) C4'-P energy: -26.950
bonds (distance) P-C4' energy: -22.144
flat angles C4'-P-C4' energy: -30.284
flat angles P-C4'-P energy: -20.665
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: 3, replica: 3
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -470.169409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.169409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.169409 (E_RNA)
where:
Base-Base interactions energy: -331.748
where: short stacking energy: -134.562
Base-Backbone interact. energy: -0.042
local terms energy: -138.379506
where:
bonds (distance) C4'-P energy: -27.544
bonds (distance) P-C4' energy: -21.804
flat angles C4'-P-C4' energy: -32.693
flat angles P-C4'-P energy: -26.150
tors. eta vs tors. theta energy: -30.189
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: 1
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -464.514956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.514956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.514956 (E_RNA)
where:
Base-Base interactions energy: -329.106
where: short stacking energy: -129.349
Base-Backbone interact. energy: -0.692
local terms energy: -134.716857
where:
bonds (distance) C4'-P energy: -25.109
bonds (distance) P-C4' energy: -29.658
flat angles C4'-P-C4' energy: -28.844
flat angles P-C4'-P energy: -20.458
tors. eta vs tors. theta energy: -30.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -421.562240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.562240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.562240 (E_RNA)
where:
Base-Base interactions energy: -303.091
where: short stacking energy: -116.561
Base-Backbone interact. energy: -0.771
local terms energy: -117.699856
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -29.682
flat angles C4'-P-C4' energy: -24.710
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -30.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -385.259286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.259286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.259286 (E_RNA)
where:
Base-Base interactions energy: -266.544
where: short stacking energy: -115.421
Base-Backbone interact. energy: -1.414
local terms energy: -117.300994
where:
bonds (distance) C4'-P energy: -23.430
bonds (distance) P-C4' energy: -26.925
flat angles C4'-P-C4' energy: -26.838
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -28.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -341.244948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.244948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.244948 (E_RNA)
where:
Base-Base interactions energy: -241.809
where: short stacking energy: -98.899
Base-Backbone interact. energy: 1.443
local terms energy: -100.879357
where:
bonds (distance) C4'-P energy: -24.116
bonds (distance) P-C4' energy: -25.553
flat angles C4'-P-C4' energy: -23.876
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -15.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -227.772151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.772151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.772151 (E_RNA)
where:
Base-Base interactions energy: -125.221
where: short stacking energy: -70.369
Base-Backbone interact. energy: -0.020
local terms energy: -102.531796
where:
bonds (distance) C4'-P energy: -21.518
bonds (distance) P-C4' energy: -33.085
flat angles C4'-P-C4' energy: -17.879
flat angles P-C4'-P energy: -18.098
tors. eta vs tors. theta energy: -11.951
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: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -184.386360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.386360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.386360 (E_RNA)
where:
Base-Base interactions energy: -85.475
where: short stacking energy: -49.975
Base-Backbone interact. energy: 0.825
local terms energy: -99.736756
where:
bonds (distance) C4'-P energy: -27.923
bonds (distance) P-C4' energy: -27.677
flat angles C4'-P-C4' energy: -22.781
flat angles P-C4'-P energy: -17.888
tors. eta vs tors. theta energy: -3.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -144.522743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.522743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.522743 (E_RNA)
where:
Base-Base interactions energy: -69.232
where: short stacking energy: -52.081
Base-Backbone interact. energy: -1.070
local terms energy: -74.221512
where:
bonds (distance) C4'-P energy: -25.760
bonds (distance) P-C4' energy: -20.741
flat angles C4'-P-C4' energy: -22.858
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: 3.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -504.628940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.628940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.628940 (E_RNA)
where:
Base-Base interactions energy: -355.571
where: short stacking energy: -146.933
Base-Backbone interact. energy: 1.104
local terms energy: -150.162125
where:
bonds (distance) C4'-P energy: -26.478
bonds (distance) P-C4' energy: -31.837
flat angles C4'-P-C4' energy: -31.137
flat angles P-C4'-P energy: -19.817
tors. eta vs tors. theta energy: -40.894
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: 101
Temperature: 0.950000
Total energy: -473.860699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.860699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.860699 (E_RNA)
where:
Base-Base interactions energy: -326.915
where: short stacking energy: -133.756
Base-Backbone interact. energy: -0.385
local terms energy: -146.560543
where:
bonds (distance) C4'-P energy: -30.781
bonds (distance) P-C4' energy: -25.549
flat angles C4'-P-C4' energy: -29.392
flat angles P-C4'-P energy: -25.393
tors. eta vs tors. theta energy: -35.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -467.190997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.190997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.190997 (E_RNA)
where:
Base-Base interactions energy: -324.801
where: short stacking energy: -137.820
Base-Backbone interact. energy: -0.012
local terms energy: -142.378096
where:
bonds (distance) C4'-P energy: -28.433
bonds (distance) P-C4' energy: -26.922
flat angles C4'-P-C4' energy: -30.812
flat angles P-C4'-P energy: -19.918
tors. eta vs tors. theta energy: -36.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -466.324245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.324245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.324245 (E_RNA)
where:
Base-Base interactions energy: -336.283
where: short stacking energy: -140.228
Base-Backbone interact. energy: 1.489
local terms energy: -131.530171
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -28.904
flat angles C4'-P-C4' energy: -29.418
flat angles P-C4'-P energy: -19.612
tors. eta vs tors. theta energy: -36.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -431.773425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.773425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.773425 (E_RNA)
where:
Base-Base interactions energy: -302.918
where: short stacking energy: -118.269
Base-Backbone interact. energy: -0.659
local terms energy: -128.196445
where:
bonds (distance) C4'-P energy: -25.420
bonds (distance) P-C4' energy: -24.458
flat angles C4'-P-C4' energy: -24.183
flat angles P-C4'-P energy: -18.458
tors. eta vs tors. theta energy: -35.677
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: 5
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -346.719131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.719131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.719131 (E_RNA)
where:
Base-Base interactions energy: -238.042
where: short stacking energy: -109.148
Base-Backbone interact. energy: -0.381
local terms energy: -108.295492
where:
bonds (distance) C4'-P energy: -24.577
bonds (distance) P-C4' energy: -26.220
flat angles C4'-P-C4' energy: -23.302
flat angles P-C4'-P energy: -14.424
tors. eta vs tors. theta energy: -19.772
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: 7
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -340.217111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.217111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.217111 (E_RNA)
where:
Base-Base interactions energy: -225.031
where: short stacking energy: -101.219
Base-Backbone interact. energy: -0.001
local terms energy: -115.184997
where:
bonds (distance) C4'-P energy: -19.036
bonds (distance) P-C4' energy: -26.929
flat angles C4'-P-C4' energy: -24.249
flat angles P-C4'-P energy: -17.436
tors. eta vs tors. theta energy: -27.535
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: 4
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -239.537471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.537471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.537471 (E_RNA)
where:
Base-Base interactions energy: -147.414
where: short stacking energy: -84.943
Base-Backbone interact. energy: -0.386
local terms energy: -91.736908
where:
bonds (distance) C4'-P energy: -23.614
bonds (distance) P-C4' energy: -28.671
flat angles C4'-P-C4' energy: -9.076
flat angles P-C4'-P energy: -14.533
tors. eta vs tors. theta energy: -15.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -149.555575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.555575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.555575 (E_RNA)
where:
Base-Base interactions energy: -48.707
where: short stacking energy: -45.327
Base-Backbone interact. energy: -0.741
local terms energy: -100.107582
where:
bonds (distance) C4'-P energy: -31.231
bonds (distance) P-C4' energy: -27.520
flat angles C4'-P-C4' energy: -26.919
flat angles P-C4'-P energy: -16.718
tors. eta vs tors. theta energy: 2.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -123.695346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.695346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.695346 (E_RNA)
where:
Base-Base interactions energy: -55.173
where: short stacking energy: -50.213
Base-Backbone interact. energy: -1.242
local terms energy: -67.280802
where:
bonds (distance) C4'-P energy: -17.456
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -19.661
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: -2.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -504.620847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.620847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.620847 (E_RNA)
where:
Base-Base interactions energy: -355.129
where: short stacking energy: -146.949
Base-Backbone interact. energy: -0.455
local terms energy: -149.036634
where:
bonds (distance) C4'-P energy: -30.359
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -30.539
flat angles P-C4'-P energy: -23.531
tors. eta vs tors. theta energy: -41.835
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: 3
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -492.387064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.387064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.387064 (E_RNA)
where:
Base-Base interactions energy: -343.371
where: short stacking energy: -135.922
Base-Backbone interact. energy: -0.973
local terms energy: -148.042455
where:
bonds (distance) C4'-P energy: -26.671
bonds (distance) P-C4' energy: -31.213
flat angles C4'-P-C4' energy: -28.892
flat angles P-C4'-P energy: -20.585
tors. eta vs tors. theta energy: -40.680
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: 1
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -464.613877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.613877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.613877 (E_RNA)
where:
Base-Base interactions energy: -323.686
where: short stacking energy: -129.395
Base-Backbone interact. energy: 0.314
local terms energy: -141.241902
where:
bonds (distance) C4'-P energy: -25.074
bonds (distance) P-C4' energy: -31.150
flat angles C4'-P-C4' energy: -28.324
flat angles P-C4'-P energy: -23.223
tors. eta vs tors. theta energy: -33.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -464.048444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.048444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.048444 (E_RNA)
where:
Base-Base interactions energy: -317.467
where: short stacking energy: -146.347
Base-Backbone interact. energy: -0.010
local terms energy: -146.571869
where:
bonds (distance) C4'-P energy: -30.037
bonds (distance) P-C4' energy: -29.425
flat angles C4'-P-C4' energy: -30.882
flat angles P-C4'-P energy: -21.839
tors. eta vs tors. theta energy: -34.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -450.354550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.354550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.354550 (E_RNA)
where:
Base-Base interactions energy: -313.768
where: short stacking energy: -142.329
Base-Backbone interact. energy: -0.307
local terms energy: -136.279916
where:
bonds (distance) C4'-P energy: -22.347
bonds (distance) P-C4' energy: -27.805
flat angles C4'-P-C4' energy: -29.547
flat angles P-C4'-P energy: -17.323
tors. eta vs tors. theta energy: -39.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -346.607055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.607055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.607055 (E_RNA)
where:
Base-Base interactions energy: -237.126
where: short stacking energy: -100.878
Base-Backbone interact. energy: -0.226
local terms energy: -109.254347
where:
bonds (distance) C4'-P energy: -31.177
bonds (distance) P-C4' energy: -29.833
flat angles C4'-P-C4' energy: -19.478
flat angles P-C4'-P energy: -5.786
tors. eta vs tors. theta energy: -22.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -386.416758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.416758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.416758 (E_RNA)
where:
Base-Base interactions energy: -278.061
where: short stacking energy: -124.009
Base-Backbone interact. energy: -0.297
local terms energy: -108.058642
where:
bonds (distance) C4'-P energy: -23.096
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -21.636
flat angles P-C4'-P energy: -14.312
tors. eta vs tors. theta energy: -31.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -234.319935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.319935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.319935 (E_RNA)
where:
Base-Base interactions energy: -126.027
where: short stacking energy: -57.771
Base-Backbone interact. energy: -0.232
local terms energy: -108.061335
where:
bonds (distance) C4'-P energy: -22.343
bonds (distance) P-C4' energy: -24.512
flat angles C4'-P-C4' energy: -30.149
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: -16.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -145.357475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.357475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.357475 (E_RNA)
where:
Base-Base interactions energy: -57.752
where: short stacking energy: -43.979
Base-Backbone interact. energy: -0.263
local terms energy: -87.343042
where:
bonds (distance) C4'-P energy: -23.756
bonds (distance) P-C4' energy: -32.047
flat angles C4'-P-C4' energy: -24.533
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: 2.553
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: 10, replica: 9
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -171.683434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.683434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.683434 (E_RNA)
where:
Base-Base interactions energy: -86.100
where: short stacking energy: -50.621
Base-Backbone interact. energy: -0.152
local terms energy: -85.431607
where:
bonds (distance) C4'-P energy: -28.735
bonds (distance) P-C4' energy: -27.876
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -13.815
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: 1, replica: 6
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -504.221379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.221379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.221379 (E_RNA)
where:
Base-Base interactions energy: -340.253
where: short stacking energy: -152.803
Base-Backbone interact. energy: -1.070
local terms energy: -162.898316
where:
bonds (distance) C4'-P energy: -24.714
bonds (distance) P-C4' energy: -31.896
flat angles C4'-P-C4' energy: -35.634
flat angles P-C4'-P energy: -23.954
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: 3
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -502.936156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.936156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.936156 (E_RNA)
where:
Base-Base interactions energy: -354.875
where: short stacking energy: -143.544
Base-Backbone interact. energy: -0.205
local terms energy: -147.856880
where:
bonds (distance) C4'-P energy: -25.522
bonds (distance) P-C4' energy: -30.882
flat angles C4'-P-C4' energy: -29.375
flat angles P-C4'-P energy: -16.467
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: 3, replica: 1
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -472.452624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.452624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.452624 (E_RNA)
where:
Base-Base interactions energy: -346.736
where: short stacking energy: -142.136
Base-Backbone interact. energy: -0.575
local terms energy: -125.141639
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -29.653
flat angles C4'-P-C4' energy: -28.613
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -36.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -462.147828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.147828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.147828 (E_RNA)
where:
Base-Base interactions energy: -318.596
where: short stacking energy: -128.217
Base-Backbone interact. energy: -0.552
local terms energy: -142.999762
where:
bonds (distance) C4'-P energy: -21.564
bonds (distance) P-C4' energy: -32.562
flat angles C4'-P-C4' energy: -31.699
flat angles P-C4'-P energy: -21.509
tors. eta vs tors. theta energy: -35.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -444.512066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.512066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.512066 (E_RNA)
where:
Base-Base interactions energy: -309.263
where: short stacking energy: -132.487
Base-Backbone interact. energy: -0.114
local terms energy: -135.135173
where:
bonds (distance) C4'-P energy: -30.058
bonds (distance) P-C4' energy: -24.692
flat angles C4'-P-C4' energy: -26.929
flat angles P-C4'-P energy: -15.823
tors. eta vs tors. theta energy: -37.634
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: 7
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -458.311367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.311367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.311367 (E_RNA)
where:
Base-Base interactions energy: -330.127
where: short stacking energy: -124.283
Base-Backbone interact. energy: -1.637
local terms energy: -126.547793
where:
bonds (distance) C4'-P energy: -26.016
bonds (distance) P-C4' energy: -26.721
flat angles C4'-P-C4' energy: -22.177
flat angles P-C4'-P energy: -18.772
tors. eta vs tors. theta energy: -32.862
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: 7, replica: 5
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -353.526217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.526217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.526217 (E_RNA)
where:
Base-Base interactions energy: -236.495
where: short stacking energy: -95.989
Base-Backbone interact. energy: -0.107
local terms energy: -116.923536
where:
bonds (distance) C4'-P energy: -23.279
bonds (distance) P-C4' energy: -24.830
flat angles C4'-P-C4' energy: -28.092
flat angles P-C4'-P energy: -20.828
tors. eta vs tors. theta energy: -19.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -241.309926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.309926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.309926 (E_RNA)
where:
Base-Base interactions energy: -135.139
where: short stacking energy: -68.809
Base-Backbone interact. energy: 1.345
local terms energy: -107.515961
where:
bonds (distance) C4'-P energy: -24.053
bonds (distance) P-C4' energy: -28.781
flat angles C4'-P-C4' energy: -22.684
flat angles P-C4'-P energy: -16.537
tors. eta vs tors. theta energy: -15.461
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: 2
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -146.297043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.297043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.297043 (E_RNA)
where:
Base-Base interactions energy: -53.766
where: short stacking energy: -52.773
Base-Backbone interact. energy: 0.344
local terms energy: -92.875122
where:
bonds (distance) C4'-P energy: -22.882
bonds (distance) P-C4' energy: -27.852
flat angles C4'-P-C4' energy: -20.337
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -12.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -161.382258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.382258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.382258 (E_RNA)
where:
Base-Base interactions energy: -81.219
where: short stacking energy: -38.760
Base-Backbone interact. energy: -0.249
local terms energy: -79.915141
where:
bonds (distance) C4'-P energy: -23.430
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -28.508
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -0.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -505.292734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.292734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.292734 (E_RNA)
where:
Base-Base interactions energy: -354.663
where: short stacking energy: -147.429
Base-Backbone interact. energy: -0.320
local terms energy: -150.310337
where:
bonds (distance) C4'-P energy: -28.784
bonds (distance) P-C4' energy: -29.255
flat angles C4'-P-C4' energy: -31.006
flat angles P-C4'-P energy: -23.520
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: 2, replica: 3
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -487.652197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.652197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.652197 (E_RNA)
where:
Base-Base interactions energy: -343.875
where: short stacking energy: -146.096
Base-Backbone interact. energy: -0.096
local terms energy: -143.681177
where:
bonds (distance) C4'-P energy: -22.164
bonds (distance) P-C4' energy: -28.787
flat angles C4'-P-C4' energy: -33.034
flat angles P-C4'-P energy: -19.049
tors. eta vs tors. theta energy: -40.647
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: 8
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -469.516087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.516087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.516087 (E_RNA)
where:
Base-Base interactions energy: -319.376
where: short stacking energy: -147.998
Base-Backbone interact. energy: 0.226
local terms energy: -150.366072
where:
bonds (distance) C4'-P energy: -29.583
bonds (distance) P-C4' energy: -29.793
flat angles C4'-P-C4' energy: -32.441
flat angles P-C4'-P energy: -21.135
tors. eta vs tors. theta energy: -37.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -458.776734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.776734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.776734 (E_RNA)
where:
Base-Base interactions energy: -319.271
where: short stacking energy: -128.171
Base-Backbone interact. energy: -1.098
local terms energy: -138.407280
where:
bonds (distance) C4'-P energy: -23.884
bonds (distance) P-C4' energy: -29.745
flat angles C4'-P-C4' energy: -28.130
flat angles P-C4'-P energy: -20.388
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: 5, replica: 7
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -491.700304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.700304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.700304 (E_RNA)
where:
Base-Base interactions energy: -356.033
where: short stacking energy: -155.425
Base-Backbone interact. energy: -0.075
local terms energy: -135.592418
where:
bonds (distance) C4'-P energy: -25.142
bonds (distance) P-C4' energy: -23.627
flat angles C4'-P-C4' energy: -27.501
flat angles P-C4'-P energy: -16.135
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: 10
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -426.734085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.734085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.734085 (E_RNA)
where:
Base-Base interactions energy: -301.103
where: short stacking energy: -127.545
Base-Backbone interact. energy: -0.363
local terms energy: -125.268567
where:
bonds (distance) C4'-P energy: -25.664
bonds (distance) P-C4' energy: -24.045
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -21.870
tors. eta vs tors. theta energy: -32.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -356.811559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.811559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.811559 (E_RNA)
where:
Base-Base interactions energy: -236.913
where: short stacking energy: -98.309
Base-Backbone interact. energy: -1.483
local terms energy: -118.415855
where:
bonds (distance) C4'-P energy: -18.631
bonds (distance) P-C4' energy: -26.524
flat angles C4'-P-C4' energy: -30.971
flat angles P-C4'-P energy: -17.405
tors. eta vs tors. theta energy: -24.884
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: 8, replica: 4
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -221.990624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.990624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.990624 (E_RNA)
where:
Base-Base interactions energy: -121.343
where: short stacking energy: -69.058
Base-Backbone interact. energy: -0.393
local terms energy: -100.254131
where:
bonds (distance) C4'-P energy: -19.900
bonds (distance) P-C4' energy: -32.686
flat angles C4'-P-C4' energy: -20.152
flat angles P-C4'-P energy: -15.027
tors. eta vs tors. theta energy: -12.490
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: 2
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -154.283583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.283583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.283583 (E_RNA)
where:
Base-Base interactions energy: -76.635
where: short stacking energy: -44.902
Base-Backbone interact. energy: -0.209
local terms energy: -77.439606
where:
bonds (distance) C4'-P energy: -24.351
bonds (distance) P-C4' energy: -22.196
flat angles C4'-P-C4' energy: -19.241
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -0.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -147.251915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.251915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.251915 (E_RNA)
where:
Base-Base interactions energy: -56.275
where: short stacking energy: -52.972
Base-Backbone interact. energy: -0.488
local terms energy: -90.489054
where:
bonds (distance) C4'-P energy: -28.582
bonds (distance) P-C4' energy: -20.348
flat angles C4'-P-C4' energy: -25.294
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -4.631
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: 6
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -495.545570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.545570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.545570 (E_RNA)
where:
Base-Base interactions energy: -353.593
where: short stacking energy: -140.537
Base-Backbone interact. energy: -0.839
local terms energy: -141.114115
where:
bonds (distance) C4'-P energy: -23.397
bonds (distance) P-C4' energy: -29.885
flat angles C4'-P-C4' energy: -30.707
flat angles P-C4'-P energy: -20.635
tors. eta vs tors. theta energy: -36.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -485.831087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.831087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.831087 (E_RNA)
where:
Base-Base interactions energy: -341.585
where: short stacking energy: -134.045
Base-Backbone interact. energy: -0.815
local terms energy: -143.430925
where:
bonds (distance) C4'-P energy: -27.280
bonds (distance) P-C4' energy: -25.125
flat angles C4'-P-C4' energy: -32.472
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -44.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -461.688291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.688291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.688291 (E_RNA)
where:
Base-Base interactions energy: -328.242
where: short stacking energy: -135.744
Base-Backbone interact. energy: -0.350
local terms energy: -133.096741
where:
bonds (distance) C4'-P energy: -26.375
bonds (distance) P-C4' energy: -29.248
flat angles C4'-P-C4' energy: -24.825
flat angles P-C4'-P energy: -18.914
tors. eta vs tors. theta energy: -33.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -502.698280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.698280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.698280 (E_RNA)
where:
Base-Base interactions energy: -357.752
where: short stacking energy: -148.688
Base-Backbone interact. energy: -0.003
local terms energy: -144.943505
where:
bonds (distance) C4'-P energy: -28.042
bonds (distance) P-C4' energy: -22.249
flat angles C4'-P-C4' energy: -33.031
flat angles P-C4'-P energy: -18.860
tors. eta vs tors. theta energy: -42.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -453.160292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.160292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.160292 (E_RNA)
where:
Base-Base interactions energy: -316.060
where: short stacking energy: -129.072
Base-Backbone interact. energy: -0.853
local terms energy: -136.247444
where:
bonds (distance) C4'-P energy: -28.638
bonds (distance) P-C4' energy: -28.817
flat angles C4'-P-C4' energy: -31.324
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -34.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -423.161451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.161451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.161451 (E_RNA)
where:
Base-Base interactions energy: -300.725
where: short stacking energy: -120.039
Base-Backbone interact. energy: -0.578
local terms energy: -121.858434
where:
bonds (distance) C4'-P energy: -24.634
bonds (distance) P-C4' energy: -18.264
flat angles C4'-P-C4' energy: -27.032
flat angles P-C4'-P energy: -20.389
tors. eta vs tors. theta energy: -31.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -306.136522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.136522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.136522 (E_RNA)
where:
Base-Base interactions energy: -202.900
where: short stacking energy: -97.587
Base-Backbone interact. energy: -0.453
local terms energy: -102.783940
where:
bonds (distance) C4'-P energy: -25.016
bonds (distance) P-C4' energy: -22.801
flat angles C4'-P-C4' energy: -23.740
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -236.682470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.682470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.682470 (E_RNA)
where:
Base-Base interactions energy: -128.628
where: short stacking energy: -72.928
Base-Backbone interact. energy: -0.366
local terms energy: -107.688578
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -23.491
flat angles C4'-P-C4' energy: -29.443
flat angles P-C4'-P energy: -19.972
tors. eta vs tors. theta energy: -16.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -201.470710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.470710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.470710 (E_RNA)
where:
Base-Base interactions energy: -96.701
where: short stacking energy: -69.189
Base-Backbone interact. energy: -0.150
local terms energy: -104.620359
where:
bonds (distance) C4'-P energy: -26.594
bonds (distance) P-C4' energy: -19.846
flat angles C4'-P-C4' energy: -26.182
flat angles P-C4'-P energy: -22.358
tors. eta vs tors. theta energy: -9.639
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: 10, replica: 9
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -128.797730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.797730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.797730 (E_RNA)
where:
Base-Base interactions energy: -43.896
where: short stacking energy: -44.096
Base-Backbone interact. energy: 0.202
local terms energy: -85.103545
where:
bonds (distance) C4'-P energy: -27.526
bonds (distance) P-C4' energy: -29.453
flat angles C4'-P-C4' energy: -18.636
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: 0.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -497.777268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.777268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.777268 (E_RNA)
where:
Base-Base interactions energy: -358.648
where: short stacking energy: -140.178
Base-Backbone interact. energy: -0.292
local terms energy: -138.837275
where:
bonds (distance) C4'-P energy: -25.912
bonds (distance) P-C4' energy: -25.273
flat angles C4'-P-C4' energy: -29.414
flat angles P-C4'-P energy: -19.175
tors. eta vs tors. theta energy: -39.063
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: 3
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -485.558934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.558934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.558934 (E_RNA)
where:
Base-Base interactions energy: -334.868
where: short stacking energy: -147.086
Base-Backbone interact. energy: -0.592
local terms energy: -150.098983
where:
bonds (distance) C4'-P energy: -31.781
bonds (distance) P-C4' energy: -26.543
flat angles C4'-P-C4' energy: -29.668
flat angles P-C4'-P energy: -20.612
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: 7
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -518.137465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.137465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.137465 (E_RNA)
where:
Base-Base interactions energy: -364.697
where: short stacking energy: -150.103
Base-Backbone interact. energy: -0.013
local terms energy: -153.427846
where:
bonds (distance) C4'-P energy: -24.795
bonds (distance) P-C4' energy: -26.893
flat angles C4'-P-C4' energy: -29.482
flat angles P-C4'-P energy: -24.034
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: 4, replica: 8
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -449.689383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.689383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.689383 (E_RNA)
where:
Base-Base interactions energy: -316.505
where: short stacking energy: -132.648
Base-Backbone interact. energy: -0.597
local terms energy: -132.586867
where:
bonds (distance) C4'-P energy: -29.907
bonds (distance) P-C4' energy: -24.016
flat angles C4'-P-C4' energy: -28.861
flat angles P-C4'-P energy: -16.617
tors. eta vs tors. theta energy: -33.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -432.516519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.516519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.516519 (E_RNA)
where:
Base-Base interactions energy: -305.894
where: short stacking energy: -128.282
Base-Backbone interact. energy: 0.419
local terms energy: -127.041520
where:
bonds (distance) C4'-P energy: -24.559
bonds (distance) P-C4' energy: -24.595
flat angles C4'-P-C4' energy: -27.695
flat angles P-C4'-P energy: -13.564
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: 6, replica: 10
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -413.801521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.801521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.801521 (E_RNA)
where:
Base-Base interactions energy: -282.839
where: short stacking energy: -119.757
Base-Backbone interact. energy: -0.552
local terms energy: -130.411296
where:
bonds (distance) C4'-P energy: -31.919
bonds (distance) P-C4' energy: -24.904
flat angles C4'-P-C4' energy: -26.774
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -33.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -310.210771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.210771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.210771 (E_RNA)
where:
Base-Base interactions energy: -196.362
where: short stacking energy: -90.163
Base-Backbone interact. energy: 2.471
local terms energy: -116.319762
where:
bonds (distance) C4'-P energy: -22.790
bonds (distance) P-C4' energy: -28.345
flat angles C4'-P-C4' energy: -25.664
flat angles P-C4'-P energy: -15.614
tors. eta vs tors. theta energy: -23.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -214.136541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.136541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.136541 (E_RNA)
where:
Base-Base interactions energy: -110.821
where: short stacking energy: -62.039
Base-Backbone interact. energy: -0.420
local terms energy: -102.895961
where:
bonds (distance) C4'-P energy: -23.380
bonds (distance) P-C4' energy: -27.809
flat angles C4'-P-C4' energy: -23.969
flat angles P-C4'-P energy: -18.825
tors. eta vs tors. theta energy: -8.913
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: 2
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -224.245226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.245226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.245226 (E_RNA)
where:
Base-Base interactions energy: -115.780
where: short stacking energy: -63.905
Base-Backbone interact. energy: -0.634
local terms energy: -107.831772
where:
bonds (distance) C4'-P energy: -27.824
bonds (distance) P-C4' energy: -21.757
flat angles C4'-P-C4' energy: -26.541
flat angles P-C4'-P energy: -19.072
tors. eta vs tors. theta energy: -12.639
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: 10, replica: 9
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -132.802217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.802217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.802217 (E_RNA)
where:
Base-Base interactions energy: -44.516
where: short stacking energy: -44.516
Base-Backbone interact. energy: -0.742
local terms energy: -87.544123
where:
bonds (distance) C4'-P energy: -23.737
bonds (distance) P-C4' energy: -28.463
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -20.444
tors. eta vs tors. theta energy: 2.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -503.779561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.779561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.779561 (E_RNA)
where:
Base-Base interactions energy: -357.455
where: short stacking energy: -146.522
Base-Backbone interact. energy: -0.901
local terms energy: -145.423967
where:
bonds (distance) C4'-P energy: -27.216
bonds (distance) P-C4' energy: -23.607
flat angles C4'-P-C4' energy: -31.315
flat angles P-C4'-P energy: -24.248
tors. eta vs tors. theta energy: -39.038
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: 7
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -525.588118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.588118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.588118 (E_RNA)
where:
Base-Base interactions energy: -369.765
where: short stacking energy: -151.988
Base-Backbone interact. energy: -0.014
local terms energy: -155.809906
where:
bonds (distance) C4'-P energy: -24.616
bonds (distance) P-C4' energy: -29.558
flat angles C4'-P-C4' energy: -31.580
flat angles P-C4'-P energy: -27.299
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: 3, replica: 3
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -463.582310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.582310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.582310 (E_RNA)
where:
Base-Base interactions energy: -331.832
where: short stacking energy: -137.381
Base-Backbone interact. energy: 0.269
local terms energy: -132.019130
where:
bonds (distance) C4'-P energy: -27.485
bonds (distance) P-C4' energy: -31.180
flat angles C4'-P-C4' energy: -27.702
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -36.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -469.262734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.262734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.262734 (E_RNA)
where:
Base-Base interactions energy: -328.792
where: short stacking energy: -146.157
Base-Backbone interact. energy: 0.265
local terms energy: -140.735207
where:
bonds (distance) C4'-P energy: -24.641
bonds (distance) P-C4' energy: -28.870
flat angles C4'-P-C4' energy: -29.289
flat angles P-C4'-P energy: -15.773
tors. eta vs tors. theta energy: -42.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -435.398826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.398826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.398826 (E_RNA)
where:
Base-Base interactions energy: -313.024
where: short stacking energy: -119.347
Base-Backbone interact. energy: -0.207
local terms energy: -122.167671
where:
bonds (distance) C4'-P energy: -19.674
bonds (distance) P-C4' energy: -29.081
flat angles C4'-P-C4' energy: -27.615
flat angles P-C4'-P energy: -14.956
tors. eta vs tors. theta energy: -30.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -406.419398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.419398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.419398 (E_RNA)
where:
Base-Base interactions energy: -269.308
where: short stacking energy: -109.581
Base-Backbone interact. energy: -0.365
local terms energy: -136.746572
where:
bonds (distance) C4'-P energy: -29.839
bonds (distance) P-C4' energy: -25.549
flat angles C4'-P-C4' energy: -27.535
flat angles P-C4'-P energy: -25.781
tors. eta vs tors. theta energy: -28.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -305.495880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.495880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.495880 (E_RNA)
where:
Base-Base interactions energy: -206.333
where: short stacking energy: -90.812
Base-Backbone interact. energy: -0.542
local terms energy: -98.620561
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -26.915
flat angles C4'-P-C4' energy: -25.674
flat angles P-C4'-P energy: -12.721
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: 8, replica: 2
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -250.306080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.306080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.306080 (E_RNA)
where:
Base-Base interactions energy: -138.810
where: short stacking energy: -72.870
Base-Backbone interact. energy: -0.155
local terms energy: -111.341144
where:
bonds (distance) C4'-P energy: -23.351
bonds (distance) P-C4' energy: -29.579
flat angles C4'-P-C4' energy: -26.573
flat angles P-C4'-P energy: -16.302
tors. eta vs tors. theta energy: -15.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -199.337505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.337505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.337505 (E_RNA)
where:
Base-Base interactions energy: -103.399
where: short stacking energy: -53.000
Base-Backbone interact. energy: 3.094
local terms energy: -99.032636
where:
bonds (distance) C4'-P energy: -25.942
bonds (distance) P-C4' energy: -30.009
flat angles C4'-P-C4' energy: -21.112
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: -7.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -139.413894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.413894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.413894 (E_RNA)
where:
Base-Base interactions energy: -51.171
where: short stacking energy: -43.006
Base-Backbone interact. energy: -1.365
local terms energy: -86.878031
where:
bonds (distance) C4'-P energy: -26.441
bonds (distance) P-C4' energy: -24.002
flat angles C4'-P-C4' energy: -26.564
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -1.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -535.016679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.016679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.016679 (E_RNA)
where:
Base-Base interactions energy: -377.529
where: short stacking energy: -163.606
Base-Backbone interact. energy: -0.056
local terms energy: -157.431418
where:
bonds (distance) C4'-P energy: -24.153
bonds (distance) P-C4' energy: -29.304
flat angles C4'-P-C4' energy: -33.629
flat angles P-C4'-P energy: -22.576
tors. eta vs tors. theta energy: -47.769
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: 2, replica: 6
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -498.371792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.371792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.371792 (E_RNA)
where:
Base-Base interactions energy: -341.462
where: short stacking energy: -155.599
Base-Backbone interact. energy: -0.335
local terms energy: -156.574737
where:
bonds (distance) C4'-P energy: -28.065
bonds (distance) P-C4' energy: -26.740
flat angles C4'-P-C4' energy: -33.381
flat angles P-C4'-P energy: -22.253
tors. eta vs tors. theta energy: -46.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -462.744423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.744423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.744423 (E_RNA)
where:
Base-Base interactions energy: -329.883
where: short stacking energy: -135.817
Base-Backbone interact. energy: -2.566
local terms energy: -130.295270
where:
bonds (distance) C4'-P energy: -29.404
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -26.502
flat angles P-C4'-P energy: -22.348
tors. eta vs tors. theta energy: -34.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -461.597723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.597723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.597723 (E_RNA)
where:
Base-Base interactions energy: -326.030
where: short stacking energy: -137.111
Base-Backbone interact. energy: -0.043
local terms energy: -135.524452
where:
bonds (distance) C4'-P energy: -25.446
bonds (distance) P-C4' energy: -23.953
flat angles C4'-P-C4' energy: -26.557
flat angles P-C4'-P energy: -15.879
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: 5, replica: 1
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -436.165104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.165104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.165104 (E_RNA)
where:
Base-Base interactions energy: -309.567
where: short stacking energy: -127.855
Base-Backbone interact. energy: -0.361
local terms energy: -126.236697
where:
bonds (distance) C4'-P energy: -25.563
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -27.401
flat angles P-C4'-P energy: -19.544
tors. eta vs tors. theta energy: -36.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -415.884844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.884844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.884844 (E_RNA)
where:
Base-Base interactions energy: -280.364
where: short stacking energy: -123.311
Base-Backbone interact. energy: -0.980
local terms energy: -134.541059
where:
bonds (distance) C4'-P energy: -27.056
bonds (distance) P-C4' energy: -28.626
flat angles C4'-P-C4' energy: -27.934
flat angles P-C4'-P energy: -17.240
tors. eta vs tors. theta energy: -33.684
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: 5
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -316.676137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.676137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.676137 (E_RNA)
where:
Base-Base interactions energy: -197.265
where: short stacking energy: -93.342
Base-Backbone interact. energy: -1.102
local terms energy: -118.309773
where:
bonds (distance) C4'-P energy: -24.351
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -32.109
flat angles P-C4'-P energy: -21.326
tors. eta vs tors. theta energy: -23.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -265.772838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.772838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.772838 (E_RNA)
where:
Base-Base interactions energy: -154.393
where: short stacking energy: -84.609
Base-Backbone interact. energy: 0.311
local terms energy: -111.691445
where:
bonds (distance) C4'-P energy: -21.781
bonds (distance) P-C4' energy: -28.809
flat angles C4'-P-C4' energy: -28.258
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -18.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -147.443712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.443712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.443712 (E_RNA)
where:
Base-Base interactions energy: -56.302
where: short stacking energy: -51.954
Base-Backbone interact. energy: 0.580
local terms energy: -91.721363
where:
bonds (distance) C4'-P energy: -23.110
bonds (distance) P-C4' energy: -28.967
flat angles C4'-P-C4' energy: -22.618
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -5.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -207.653756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.653756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.653756 (E_RNA)
where:
Base-Base interactions energy: -119.975
where: short stacking energy: -71.136
Base-Backbone interact. energy: -0.146
local terms energy: -87.532087
where:
bonds (distance) C4'-P energy: -18.342
bonds (distance) P-C4' energy: -25.775
flat angles C4'-P-C4' energy: -18.282
flat angles P-C4'-P energy: -13.252
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: 1, replica: 7
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -532.609232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.609232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.609232 (E_RNA)
where:
Base-Base interactions energy: -369.102
where: short stacking energy: -160.073
Base-Backbone interact. energy: -0.544
local terms energy: -162.962532
where:
bonds (distance) C4'-P energy: -32.634
bonds (distance) P-C4' energy: -29.985
flat angles C4'-P-C4' energy: -35.056
flat angles P-C4'-P energy: -20.503
tors. eta vs tors. theta energy: -44.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -491.410518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.410518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.410518 (E_RNA)
where:
Base-Base interactions energy: -342.564
where: short stacking energy: -155.477
Base-Backbone interact. energy: -0.433
local terms energy: -148.412942
where:
bonds (distance) C4'-P energy: -29.284
bonds (distance) P-C4' energy: -26.063
flat angles C4'-P-C4' energy: -30.912
flat angles P-C4'-P energy: -20.298
tors. eta vs tors. theta energy: -41.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -457.062680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.062680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.062680 (E_RNA)
where:
Base-Base interactions energy: -320.454
where: short stacking energy: -134.390
Base-Backbone interact. energy: -0.166
local terms energy: -136.442406
where:
bonds (distance) C4'-P energy: -24.562
bonds (distance) P-C4' energy: -26.779
flat angles C4'-P-C4' energy: -29.183
flat angles P-C4'-P energy: -23.808
tors. eta vs tors. theta energy: -32.111
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: 3
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -462.596027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.596027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.596027 (E_RNA)
where:
Base-Base interactions energy: -317.799
where: short stacking energy: -143.324
Base-Backbone interact. energy: -1.361
local terms energy: -143.435828
where:
bonds (distance) C4'-P energy: -23.788
bonds (distance) P-C4' energy: -26.232
flat angles C4'-P-C4' energy: -30.924
flat angles P-C4'-P energy: -16.789
tors. eta vs tors. theta energy: -45.703
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: 109
Temperature: 1.100000
Total energy: -437.177570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.177570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.177570 (E_RNA)
where:
Base-Base interactions energy: -309.380
where: short stacking energy: -127.296
Base-Backbone interact. energy: -1.115
local terms energy: -126.682068
where:
bonds (distance) C4'-P energy: -29.076
bonds (distance) P-C4' energy: -27.062
flat angles C4'-P-C4' energy: -24.629
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -32.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -408.850544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.850544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.850544 (E_RNA)
where:
Base-Base interactions energy: -284.490
where: short stacking energy: -109.923
Base-Backbone interact. energy: -1.153
local terms energy: -123.207260
where:
bonds (distance) C4'-P energy: -24.358
bonds (distance) P-C4' energy: -31.569
flat angles C4'-P-C4' energy: -25.778
flat angles P-C4'-P energy: -16.280
tors. eta vs tors. theta energy: -25.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -330.928431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.928431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.928431 (E_RNA)
where:
Base-Base interactions energy: -209.597
where: short stacking energy: -95.107
Base-Backbone interact. energy: -0.141
local terms energy: -121.190405
where:
bonds (distance) C4'-P energy: -22.260
bonds (distance) P-C4' energy: -26.931
flat angles C4'-P-C4' energy: -29.111
flat angles P-C4'-P energy: -18.898
tors. eta vs tors. theta energy: -23.991
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: 109
Temperature: 1.250000
Total energy: -293.083314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.083314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.083314 (E_RNA)
where:
Base-Base interactions energy: -185.541
where: short stacking energy: -84.144
Base-Backbone interact. energy: -0.833
local terms energy: -106.709420
where:
bonds (distance) C4'-P energy: -23.117
bonds (distance) P-C4' energy: -21.739
flat angles C4'-P-C4' energy: -21.746
flat angles P-C4'-P energy: -21.931
tors. eta vs tors. theta energy: -18.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -139.109799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.109799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.109799 (E_RNA)
where:
Base-Base interactions energy: -55.876
where: short stacking energy: -47.559
Base-Backbone interact. energy: 0.020
local terms energy: -83.252902
where:
bonds (distance) C4'-P energy: -22.429
bonds (distance) P-C4' energy: -25.912
flat angles C4'-P-C4' energy: -20.543
flat angles P-C4'-P energy: -18.653
tors. eta vs tors. theta energy: 4.283
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: 4
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -212.356424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.356424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.356424 (E_RNA)
where:
Base-Base interactions energy: -118.983
where: short stacking energy: -61.763
Base-Backbone interact. energy: 0.184
local terms energy: -93.557705
where:
bonds (distance) C4'-P energy: -25.799
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -13.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -535.905738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.905738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.905738 (E_RNA)
where:
Base-Base interactions energy: -380.485
where: short stacking energy: -160.585
Base-Backbone interact. energy: -0.320
local terms energy: -155.100455
where:
bonds (distance) C4'-P energy: -27.919
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -32.504
flat angles P-C4'-P energy: -25.546
tors. eta vs tors. theta energy: -47.153
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: 6
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -492.148506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.148506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.148506 (E_RNA)
where:
Base-Base interactions energy: -346.302
where: short stacking energy: -133.236
Base-Backbone interact. energy: -0.257
local terms energy: -145.589190
where:
bonds (distance) C4'-P energy: -25.585
bonds (distance) P-C4' energy: -28.745
flat angles C4'-P-C4' energy: -28.071
flat angles P-C4'-P energy: -23.389
tors. eta vs tors. theta energy: -39.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -479.154984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.154984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.154984 (E_RNA)
where:
Base-Base interactions energy: -325.606
where: short stacking energy: -143.269
Base-Backbone interact. energy: -0.448
local terms energy: -153.101108
where:
bonds (distance) C4'-P energy: -29.609
bonds (distance) P-C4' energy: -28.229
flat angles C4'-P-C4' energy: -32.819
flat angles P-C4'-P energy: -22.956
tors. eta vs tors. theta energy: -39.488
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: 8
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -446.514418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.514418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.514418 (E_RNA)
where:
Base-Base interactions energy: -305.352
where: short stacking energy: -124.491
Base-Backbone interact. energy: -0.454
local terms energy: -140.708119
where:
bonds (distance) C4'-P energy: -27.241
bonds (distance) P-C4' energy: -30.151
flat angles C4'-P-C4' energy: -30.159
flat angles P-C4'-P energy: -19.192
tors. eta vs tors. theta energy: -33.965
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: 5, replica: 1
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -433.262384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.262384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.262384 (E_RNA)
where:
Base-Base interactions energy: -303.625
where: short stacking energy: -133.155
Base-Backbone interact. energy: -0.373
local terms energy: -129.264405
where:
bonds (distance) C4'-P energy: -21.706
bonds (distance) P-C4' energy: -27.280
flat angles C4'-P-C4' energy: -29.202
flat angles P-C4'-P energy: -17.871
tors. eta vs tors. theta energy: -33.205
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: 6, replica: 10
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -431.289938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.289938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.289938 (E_RNA)
where:
Base-Base interactions energy: -291.232
where: short stacking energy: -126.285
Base-Backbone interact. energy: -0.315
local terms energy: -139.742770
where:
bonds (distance) C4'-P energy: -24.108
bonds (distance) P-C4' energy: -28.004
flat angles C4'-P-C4' energy: -30.128
flat angles P-C4'-P energy: -21.160
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: 7, replica: 5
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -317.231987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.231987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.231987 (E_RNA)
where:
Base-Base interactions energy: -197.784
where: short stacking energy: -100.884
Base-Backbone interact. energy: -0.312
local terms energy: -119.135890
where:
bonds (distance) C4'-P energy: -23.641
bonds (distance) P-C4' energy: -28.264
flat angles C4'-P-C4' energy: -27.686
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -29.676
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: 2
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -282.379904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.379904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.379904 (E_RNA)
where:
Base-Base interactions energy: -170.515
where: short stacking energy: -78.714
Base-Backbone interact. energy: 1.196
local terms energy: -113.060678
where:
bonds (distance) C4'-P energy: -26.586
bonds (distance) P-C4' energy: -22.687
flat angles C4'-P-C4' energy: -25.595
flat angles P-C4'-P energy: -19.377
tors. eta vs tors. theta energy: -18.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -219.597465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.597465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.597465 (E_RNA)
where:
Base-Base interactions energy: -121.836
where: short stacking energy: -63.981
Base-Backbone interact. energy: -0.684
local terms energy: -97.077679
where:
bonds (distance) C4'-P energy: -22.532
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -22.986
flat angles P-C4'-P energy: -22.352
tors. eta vs tors. theta energy: -9.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -137.363041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.363041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.363041 (E_RNA)
where:
Base-Base interactions energy: -46.771
where: short stacking energy: -32.425
Base-Backbone interact. energy: -0.768
local terms energy: -89.823827
where:
bonds (distance) C4'-P energy: -24.770
bonds (distance) P-C4' energy: -23.839
flat angles C4'-P-C4' energy: -28.958
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: 1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -528.369706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.369706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.369706 (E_RNA)
where:
Base-Base interactions energy: -372.329
where: short stacking energy: -145.390
Base-Backbone interact. energy: -0.887
local terms energy: -155.153420
where:
bonds (distance) C4'-P energy: -31.829
bonds (distance) P-C4' energy: -29.099
flat angles C4'-P-C4' energy: -30.191
flat angles P-C4'-P energy: -21.949
tors. eta vs tors. theta energy: -42.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -492.971497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.971497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.971497 (E_RNA)
where:
Base-Base interactions energy: -339.679
where: short stacking energy: -154.578
Base-Backbone interact. energy: -0.452
local terms energy: -152.841138
where:
bonds (distance) C4'-P energy: -29.572
bonds (distance) P-C4' energy: -25.444
flat angles C4'-P-C4' energy: -31.698
flat angles P-C4'-P energy: -25.523
tors. eta vs tors. theta energy: -40.604
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: 3
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -475.376946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.376946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.376946 (E_RNA)
where:
Base-Base interactions energy: -330.019
where: short stacking energy: -138.497
Base-Backbone interact. energy: -0.606
local terms energy: -144.752389
where:
bonds (distance) C4'-P energy: -29.826
bonds (distance) P-C4' energy: -24.608
flat angles C4'-P-C4' energy: -29.809
flat angles P-C4'-P energy: -21.655
tors. eta vs tors. theta energy: -38.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -462.385248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.385248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.385248 (E_RNA)
where:
Base-Base interactions energy: -333.141
where: short stacking energy: -127.631
Base-Backbone interact. energy: -0.273
local terms energy: -128.971478
where:
bonds (distance) C4'-P energy: -20.134
bonds (distance) P-C4' energy: -33.461
flat angles C4'-P-C4' energy: -25.591
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -36.047
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: 8
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -453.731869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.731869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.731869 (E_RNA)
where:
Base-Base interactions energy: -320.608
where: short stacking energy: -146.868
Base-Backbone interact. energy: -0.933
local terms energy: -132.190357
where:
bonds (distance) C4'-P energy: -25.515
bonds (distance) P-C4' energy: -24.826
flat angles C4'-P-C4' energy: -27.622
flat angles P-C4'-P energy: -19.551
tors. eta vs tors. theta energy: -34.677
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: 10
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -429.293972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.293972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.293972 (E_RNA)
where:
Base-Base interactions energy: -290.922
where: short stacking energy: -133.299
Base-Backbone interact. energy: -0.354
local terms energy: -138.017381
where:
bonds (distance) C4'-P energy: -24.379
bonds (distance) P-C4' energy: -32.465
flat angles C4'-P-C4' energy: -29.800
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -37.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -332.311179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.311179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.311179 (E_RNA)
where:
Base-Base interactions energy: -229.795
where: short stacking energy: -94.027
Base-Backbone interact. energy: -1.058
local terms energy: -101.458110
where:
bonds (distance) C4'-P energy: -21.171
bonds (distance) P-C4' energy: -28.180
flat angles C4'-P-C4' energy: -24.141
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -19.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -288.101015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.101015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.101015 (E_RNA)
where:
Base-Base interactions energy: -177.341
where: short stacking energy: -88.479
Base-Backbone interact. energy: -1.105
local terms energy: -109.655462
where:
bonds (distance) C4'-P energy: -20.236
bonds (distance) P-C4' energy: -27.688
flat angles C4'-P-C4' energy: -26.873
flat angles P-C4'-P energy: -17.515
tors. eta vs tors. theta energy: -17.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -219.989829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.989829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.989829 (E_RNA)
where:
Base-Base interactions energy: -128.663
where: short stacking energy: -58.278
Base-Backbone interact. energy: -0.733
local terms energy: -90.593952
where:
bonds (distance) C4'-P energy: -26.210
bonds (distance) P-C4' energy: -24.563
flat angles C4'-P-C4' energy: -20.422
flat angles P-C4'-P energy: -16.668
tors. eta vs tors. theta energy: -2.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -138.399675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.399675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.399675 (E_RNA)
where:
Base-Base interactions energy: -61.374
where: short stacking energy: -50.313
Base-Backbone interact. energy: -0.190
local terms energy: -76.835865
where:
bonds (distance) C4'-P energy: -21.412
bonds (distance) P-C4' energy: -24.704
flat angles C4'-P-C4' energy: -19.700
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -0.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -528.736485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.736485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.736485 (E_RNA)
where:
Base-Base interactions energy: -372.076
where: short stacking energy: -154.454
Base-Backbone interact. energy: -0.028
local terms energy: -156.632062
where:
bonds (distance) C4'-P energy: -26.144
bonds (distance) P-C4' energy: -31.068
flat angles C4'-P-C4' energy: -34.496
flat angles P-C4'-P energy: -25.508
tors. eta vs tors. theta energy: -39.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -483.657573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.657573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.657573 (E_RNA)
where:
Base-Base interactions energy: -330.685
where: short stacking energy: -137.000
Base-Backbone interact. energy: -0.939
local terms energy: -152.033498
where:
bonds (distance) C4'-P energy: -29.663
bonds (distance) P-C4' energy: -29.164
flat angles C4'-P-C4' energy: -31.983
flat angles P-C4'-P energy: -19.971
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: 3, replica: 1
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -457.048242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.048242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.048242 (E_RNA)
where:
Base-Base interactions energy: -321.061
where: short stacking energy: -124.545
Base-Backbone interact. energy: 1.685
local terms energy: -137.672422
where:
bonds (distance) C4'-P energy: -26.537
bonds (distance) P-C4' energy: -28.059
flat angles C4'-P-C4' energy: -29.088
flat angles P-C4'-P energy: -19.151
tors. eta vs tors. theta energy: -34.836
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: 3
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -469.222538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.222538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.222538 (E_RNA)
where:
Base-Base interactions energy: -319.285
where: short stacking energy: -136.647
Base-Backbone interact. energy: -0.671
local terms energy: -149.265957
where:
bonds (distance) C4'-P energy: -31.045
bonds (distance) P-C4' energy: -30.902
flat angles C4'-P-C4' energy: -29.594
flat angles P-C4'-P energy: -21.016
tors. eta vs tors. theta energy: -36.708
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: 5, replica: 8
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -445.340980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.340980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.340980 (E_RNA)
where:
Base-Base interactions energy: -307.265
where: short stacking energy: -133.287
Base-Backbone interact. energy: -0.878
local terms energy: -137.198688
where:
bonds (distance) C4'-P energy: -27.594
bonds (distance) P-C4' energy: -28.928
flat angles C4'-P-C4' energy: -25.043
flat angles P-C4'-P energy: -22.227
tors. eta vs tors. theta energy: -33.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -403.801365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.801365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.801365 (E_RNA)
where:
Base-Base interactions energy: -276.259
where: short stacking energy: -117.910
Base-Backbone interact. energy: -0.029
local terms energy: -127.513243
where:
bonds (distance) C4'-P energy: -21.845
bonds (distance) P-C4' energy: -22.837
flat angles C4'-P-C4' energy: -29.630
flat angles P-C4'-P energy: -24.229
tors. eta vs tors. theta energy: -28.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -342.072802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.072802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.072802 (E_RNA)
where:
Base-Base interactions energy: -239.533
where: short stacking energy: -98.560
Base-Backbone interact. energy: -0.595
local terms energy: -101.944822
where:
bonds (distance) C4'-P energy: -22.198
bonds (distance) P-C4' energy: -29.702
flat angles C4'-P-C4' energy: -24.530
flat angles P-C4'-P energy: -6.357
tors. eta vs tors. theta energy: -19.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -286.009382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.009382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.009382 (E_RNA)
where:
Base-Base interactions energy: -182.208
where: short stacking energy: -84.853
Base-Backbone interact. energy: -0.386
local terms energy: -103.415820
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -32.474
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -18.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -237.652655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.652655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.652655 (E_RNA)
where:
Base-Base interactions energy: -139.310
where: short stacking energy: -72.758
Base-Backbone interact. energy: -0.472
local terms energy: -97.870395
where:
bonds (distance) C4'-P energy: -26.465
bonds (distance) P-C4' energy: -22.020
flat angles C4'-P-C4' energy: -25.344
flat angles P-C4'-P energy: -16.073
tors. eta vs tors. theta energy: -7.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -143.224658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.224658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.224658 (E_RNA)
where:
Base-Base interactions energy: -60.136
where: short stacking energy: -43.344
Base-Backbone interact. energy: -1.064
local terms energy: -82.025555
where:
bonds (distance) C4'-P energy: -18.891
bonds (distance) P-C4' energy: -28.777
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -9.316
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: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -531.965907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.965907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.965907 (E_RNA)
where:
Base-Base interactions energy: -376.033
where: short stacking energy: -152.522
Base-Backbone interact. energy: -0.103
local terms energy: -155.829409
where:
bonds (distance) C4'-P energy: -29.523
bonds (distance) P-C4' energy: -26.725
flat angles C4'-P-C4' energy: -35.093
flat angles P-C4'-P energy: -23.633
tors. eta vs tors. theta energy: -40.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -467.403753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.403753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.403753 (E_RNA)
where:
Base-Base interactions energy: -316.288
where: short stacking energy: -135.383
Base-Backbone interact. energy: -0.629
local terms energy: -150.487007
where:
bonds (distance) C4'-P energy: -28.877
bonds (distance) P-C4' energy: -31.832
flat angles C4'-P-C4' energy: -28.277
flat angles P-C4'-P energy: -22.259
tors. eta vs tors. theta energy: -39.243
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: 3, replica: 6
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -481.641493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.641493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.641493 (E_RNA)
where:
Base-Base interactions energy: -334.258
where: short stacking energy: -136.444
Base-Backbone interact. energy: -0.344
local terms energy: -147.039739
where:
bonds (distance) C4'-P energy: -27.299
bonds (distance) P-C4' energy: -25.611
flat angles C4'-P-C4' energy: -30.630
flat angles P-C4'-P energy: -23.141
tors. eta vs tors. theta energy: -40.358
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: 8
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -445.422755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.422755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.422755 (E_RNA)
where:
Base-Base interactions energy: -313.598
where: short stacking energy: -132.495
Base-Backbone interact. energy: -0.606
local terms energy: -131.218891
where:
bonds (distance) C4'-P energy: -26.708
bonds (distance) P-C4' energy: -24.654
flat angles C4'-P-C4' energy: -27.482
flat angles P-C4'-P energy: -20.147
tors. eta vs tors. theta energy: -32.227
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: 113
Temperature: 1.100000
Total energy: -457.496466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.496466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.496466 (E_RNA)
where:
Base-Base interactions energy: -330.153
where: short stacking energy: -142.347
Base-Backbone interact. energy: -0.012
local terms energy: -127.331846
where:
bonds (distance) C4'-P energy: -24.823
bonds (distance) P-C4' energy: -20.463
flat angles C4'-P-C4' energy: -30.151
flat angles P-C4'-P energy: -15.819
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: 6, replica: 10
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -401.677957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.677957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.677957 (E_RNA)
where:
Base-Base interactions energy: -287.106
where: short stacking energy: -123.585
Base-Backbone interact. energy: -0.872
local terms energy: -113.699735
where:
bonds (distance) C4'-P energy: -26.560
bonds (distance) P-C4' energy: -21.556
flat angles C4'-P-C4' energy: -22.181
flat angles P-C4'-P energy: -13.776
tors. eta vs tors. theta energy: -29.627
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: 5
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -335.166283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.166283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.166283 (E_RNA)
where:
Base-Base interactions energy: -215.840
where: short stacking energy: -101.434
Base-Backbone interact. energy: 0.647
local terms energy: -119.973030
where:
bonds (distance) C4'-P energy: -20.488
bonds (distance) P-C4' energy: -25.344
flat angles C4'-P-C4' energy: -27.918
flat angles P-C4'-P energy: -17.684
tors. eta vs tors. theta energy: -28.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -310.553965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.553965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.553965 (E_RNA)
where:
Base-Base interactions energy: -201.065
where: short stacking energy: -79.103
Base-Backbone interact. energy: -0.814
local terms energy: -108.674762
where:
bonds (distance) C4'-P energy: -26.172
bonds (distance) P-C4' energy: -24.361
flat angles C4'-P-C4' energy: -30.164
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -14.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -244.738344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.738344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.738344 (E_RNA)
where:
Base-Base interactions energy: -149.658
where: short stacking energy: -70.735
Base-Backbone interact. energy: -0.298
local terms energy: -94.782683
where:
bonds (distance) C4'-P energy: -19.193
bonds (distance) P-C4' energy: -25.743
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -13.742
tors. eta vs tors. theta energy: -18.917
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: 9
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -133.801060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.801060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.801060 (E_RNA)
where:
Base-Base interactions energy: -45.943
where: short stacking energy: -44.772
Base-Backbone interact. energy: -1.090
local terms energy: -86.767667
where:
bonds (distance) C4'-P energy: -23.263
bonds (distance) P-C4' energy: -28.200
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -4.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -531.402378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.402378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.402378 (E_RNA)
where:
Base-Base interactions energy: -383.928
where: short stacking energy: -159.138
Base-Backbone interact. energy: -0.072
local terms energy: -147.401985
where:
bonds (distance) C4'-P energy: -23.132
bonds (distance) P-C4' energy: -27.400
flat angles C4'-P-C4' energy: -30.722
flat angles P-C4'-P energy: -26.128
tors. eta vs tors. theta energy: -40.021
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: 1
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -473.920877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.920877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.920877 (E_RNA)
where:
Base-Base interactions energy: -336.602
where: short stacking energy: -142.839
Base-Backbone interact. energy: -0.405
local terms energy: -136.913148
where:
bonds (distance) C4'-P energy: -23.507
bonds (distance) P-C4' energy: -26.260
flat angles C4'-P-C4' energy: -31.826
flat angles P-C4'-P energy: -19.659
tors. eta vs tors. theta energy: -35.661
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: 6
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -487.858937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.858937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.858937 (E_RNA)
where:
Base-Base interactions energy: -338.140
where: short stacking energy: -147.943
Base-Backbone interact. energy: -1.291
local terms energy: -148.427792
where:
bonds (distance) C4'-P energy: -29.405
bonds (distance) P-C4' energy: -29.863
flat angles C4'-P-C4' energy: -29.004
flat angles P-C4'-P energy: -17.599
tors. eta vs tors. theta energy: -42.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -466.919202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.919202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.919202 (E_RNA)
where:
Base-Base interactions energy: -321.392
where: short stacking energy: -132.753
Base-Backbone interact. energy: 0.917
local terms energy: -146.443834
where:
bonds (distance) C4'-P energy: -29.078
bonds (distance) P-C4' energy: -28.896
flat angles C4'-P-C4' energy: -31.950
flat angles P-C4'-P energy: -20.815
tors. eta vs tors. theta energy: -35.706
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: 3
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -453.233976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.233976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.233976 (E_RNA)
where:
Base-Base interactions energy: -315.337
where: short stacking energy: -139.300
Base-Backbone interact. energy: -0.285
local terms energy: -137.612186
where:
bonds (distance) C4'-P energy: -23.235
bonds (distance) P-C4' energy: -28.053
flat angles C4'-P-C4' energy: -22.967
flat angles P-C4'-P energy: -19.331
tors. eta vs tors. theta energy: -44.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -385.519763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.519763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.519763 (E_RNA)
where:
Base-Base interactions energy: -261.432
where: short stacking energy: -118.005
Base-Backbone interact. energy: -0.288
local terms energy: -123.799409
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -30.101
flat angles C4'-P-C4' energy: -28.087
flat angles P-C4'-P energy: -19.693
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: 7, replica: 2
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -297.245217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.245217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.245217 (E_RNA)
where:
Base-Base interactions energy: -193.739
where: short stacking energy: -82.348
Base-Backbone interact. energy: -0.507
local terms energy: -102.998826
where:
bonds (distance) C4'-P energy: -22.137
bonds (distance) P-C4' energy: -23.718
flat angles C4'-P-C4' energy: -22.646
flat angles P-C4'-P energy: -16.733
tors. eta vs tors. theta energy: -17.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -293.148891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.148891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.148891 (E_RNA)
where:
Base-Base interactions energy: -185.090
where: short stacking energy: -73.579
Base-Backbone interact. energy: -0.454
local terms energy: -107.604809
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -26.375
flat angles C4'-P-C4' energy: -31.435
flat angles P-C4'-P energy: -17.422
tors. eta vs tors. theta energy: -15.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -242.156381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.156381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.156381 (E_RNA)
where:
Base-Base interactions energy: -138.770
where: short stacking energy: -64.561
Base-Backbone interact. energy: 1.454
local terms energy: -104.840982
where:
bonds (distance) C4'-P energy: -28.794
bonds (distance) P-C4' energy: -22.639
flat angles C4'-P-C4' energy: -25.323
flat angles P-C4'-P energy: -16.697
tors. eta vs tors. theta energy: -11.388
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: 9
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -136.496944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.496944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.496944 (E_RNA)
where:
Base-Base interactions energy: -43.999
where: short stacking energy: -37.464
Base-Backbone interact. energy: -0.478
local terms energy: -92.019313
where:
bonds (distance) C4'-P energy: -21.395
bonds (distance) P-C4' energy: -30.493
flat angles C4'-P-C4' energy: -23.019
flat angles P-C4'-P energy: -16.386
tors. eta vs tors. theta energy: -0.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -533.382695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.382695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.382695 (E_RNA)
where:
Base-Base interactions energy: -384.102
where: short stacking energy: -153.980
Base-Backbone interact. energy: -0.087
local terms energy: -149.193952
where:
bonds (distance) C4'-P energy: -25.345
bonds (distance) P-C4' energy: -30.435
flat angles C4'-P-C4' energy: -29.871
flat angles P-C4'-P energy: -24.449
tors. eta vs tors. theta energy: -39.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -487.181311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.181311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.181311 (E_RNA)
where:
Base-Base interactions energy: -335.810
where: short stacking energy: -138.576
Base-Backbone interact. energy: -0.818
local terms energy: -150.553804
where:
bonds (distance) C4'-P energy: -31.072
bonds (distance) P-C4' energy: -30.307
flat angles C4'-P-C4' energy: -30.841
flat angles P-C4'-P energy: -19.832
tors. eta vs tors. theta energy: -38.501
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: 3, replica: 1
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -479.864013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.864013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.864013 (E_RNA)
where:
Base-Base interactions energy: -341.157
where: short stacking energy: -136.357
Base-Backbone interact. energy: 0.422
local terms energy: -139.129337
where:
bonds (distance) C4'-P energy: -25.285
bonds (distance) P-C4' energy: -25.605
flat angles C4'-P-C4' energy: -31.402
flat angles P-C4'-P energy: -19.717
tors. eta vs tors. theta energy: -37.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -460.546248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.546248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.546248 (E_RNA)
where:
Base-Base interactions energy: -306.585
where: short stacking energy: -136.018
Base-Backbone interact. energy: -0.064
local terms energy: -153.896749
where:
bonds (distance) C4'-P energy: -26.066
bonds (distance) P-C4' energy: -29.050
flat angles C4'-P-C4' energy: -31.563
flat angles P-C4'-P energy: -25.232
tors. eta vs tors. theta energy: -41.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -437.771389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.771389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.771389 (E_RNA)
where:
Base-Base interactions energy: -300.371
where: short stacking energy: -119.200
Base-Backbone interact. energy: -1.213
local terms energy: -136.187691
where:
bonds (distance) C4'-P energy: -28.325
bonds (distance) P-C4' energy: -27.153
flat angles C4'-P-C4' energy: -26.585
flat angles P-C4'-P energy: -20.028
tors. eta vs tors. theta energy: -34.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -406.863426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.863426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.863426 (E_RNA)
where:
Base-Base interactions energy: -281.645
where: short stacking energy: -126.778
Base-Backbone interact. energy: 0.707
local terms energy: -125.925729
where:
bonds (distance) C4'-P energy: -25.601
bonds (distance) P-C4' energy: -23.914
flat angles C4'-P-C4' energy: -28.410
flat angles P-C4'-P energy: -17.633
tors. eta vs tors. theta energy: -30.367
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: 2
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -316.300263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.300263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.300263 (E_RNA)
where:
Base-Base interactions energy: -203.150
where: short stacking energy: -90.588
Base-Backbone interact. energy: -0.338
local terms energy: -112.812590
where:
bonds (distance) C4'-P energy: -28.202
bonds (distance) P-C4' energy: -27.961
flat angles C4'-P-C4' energy: -25.325
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -17.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -289.792814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.792814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.792814 (E_RNA)
where:
Base-Base interactions energy: -192.373
where: short stacking energy: -80.880
Base-Backbone interact. energy: -0.425
local terms energy: -96.994220
where:
bonds (distance) C4'-P energy: -24.085
bonds (distance) P-C4' energy: -26.943
flat angles C4'-P-C4' energy: -19.141
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: -19.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -209.213361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.213361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.213361 (E_RNA)
where:
Base-Base interactions energy: -118.395
where: short stacking energy: -63.603
Base-Backbone interact. energy: -0.784
local terms energy: -90.034492
where:
bonds (distance) C4'-P energy: -21.226
bonds (distance) P-C4' energy: -20.452
flat angles C4'-P-C4' energy: -25.595
flat angles P-C4'-P energy: -15.722
tors. eta vs tors. theta energy: -7.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -137.641133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.641133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.641133 (E_RNA)
where:
Base-Base interactions energy: -44.059
where: short stacking energy: -40.426
Base-Backbone interact. energy: -1.251
local terms energy: -92.331182
where:
bonds (distance) C4'-P energy: -20.719
bonds (distance) P-C4' energy: -24.534
flat angles C4'-P-C4' energy: -28.283
flat angles P-C4'-P energy: -19.433
tors. eta vs tors. theta energy: 0.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -530.538147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.538147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.538147 (E_RNA)
where:
Base-Base interactions energy: -378.022
where: short stacking energy: -154.928
Base-Backbone interact. energy: -0.166
local terms energy: -152.350006
where:
bonds (distance) C4'-P energy: -28.882
bonds (distance) P-C4' energy: -26.777
flat angles C4'-P-C4' energy: -34.142
flat angles P-C4'-P energy: -25.185
tors. eta vs tors. theta energy: -37.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -485.267669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.267669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.267669 (E_RNA)
where:
Base-Base interactions energy: -332.205
where: short stacking energy: -138.084
Base-Backbone interact. energy: -1.216
local terms energy: -151.846498
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -30.066
flat angles C4'-P-C4' energy: -29.253
flat angles P-C4'-P energy: -22.753
tors. eta vs tors. theta energy: -41.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -472.904766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.904766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.904766 (E_RNA)
where:
Base-Base interactions energy: -319.155
where: short stacking energy: -147.279
Base-Backbone interact. energy: -0.677
local terms energy: -153.072167
where:
bonds (distance) C4'-P energy: -25.586
bonds (distance) P-C4' energy: -31.364
flat angles C4'-P-C4' energy: -27.980
flat angles P-C4'-P energy: -21.930
tors. eta vs tors. theta energy: -46.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -452.345349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.345349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.345349 (E_RNA)
where:
Base-Base interactions energy: -318.157
where: short stacking energy: -128.808
Base-Backbone interact. energy: -0.232
local terms energy: -133.956384
where:
bonds (distance) C4'-P energy: -28.647
bonds (distance) P-C4' energy: -32.061
flat angles C4'-P-C4' energy: -25.609
flat angles P-C4'-P energy: -11.611
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: 5, replica: 8
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -428.701347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.701347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.701347 (E_RNA)
where:
Base-Base interactions energy: -299.632
where: short stacking energy: -134.001
Base-Backbone interact. energy: -0.574
local terms energy: -128.494769
where:
bonds (distance) C4'-P energy: -23.842
bonds (distance) P-C4' energy: -26.048
flat angles C4'-P-C4' energy: -23.924
flat angles P-C4'-P energy: -16.535
tors. eta vs tors. theta energy: -38.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -365.957281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.957281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.957281 (E_RNA)
where:
Base-Base interactions energy: -245.928
where: short stacking energy: -111.996
Base-Backbone interact. energy: -0.633
local terms energy: -119.395587
where:
bonds (distance) C4'-P energy: -23.852
bonds (distance) P-C4' energy: -21.620
flat angles C4'-P-C4' energy: -28.410
flat angles P-C4'-P energy: -18.007
tors. eta vs tors. theta energy: -27.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -292.008733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.008733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.008733 (E_RNA)
where:
Base-Base interactions energy: -190.209
where: short stacking energy: -89.033
Base-Backbone interact. energy: 0.938
local terms energy: -102.737936
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -24.180
flat angles C4'-P-C4' energy: -26.288
flat angles P-C4'-P energy: -18.508
tors. eta vs tors. theta energy: -15.037
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: 2
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -296.420169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.420169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.420169 (E_RNA)
where:
Base-Base interactions energy: -187.429
where: short stacking energy: -94.091
Base-Backbone interact. energy: -0.104
local terms energy: -108.886343
where:
bonds (distance) C4'-P energy: -23.955
bonds (distance) P-C4' energy: -26.839
flat angles C4'-P-C4' energy: -26.079
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -23.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -215.602229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.602229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.602229 (E_RNA)
where:
Base-Base interactions energy: -117.669
where: short stacking energy: -66.698
Base-Backbone interact. energy: -0.925
local terms energy: -97.007938
where:
bonds (distance) C4'-P energy: -25.278
bonds (distance) P-C4' energy: -26.452
flat angles C4'-P-C4' energy: -24.754
flat angles P-C4'-P energy: -19.169
tors. eta vs tors. theta energy: -1.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -161.584003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.584003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.584003 (E_RNA)
where:
Base-Base interactions energy: -67.708
where: short stacking energy: -46.127
Base-Backbone interact. energy: -0.284
local terms energy: -93.591761
where:
bonds (distance) C4'-P energy: -29.168
bonds (distance) P-C4' energy: -28.325
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -4.590
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: 1, replica: 7
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -527.294385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.294385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.294385 (E_RNA)
where:
Base-Base interactions energy: -377.033
where: short stacking energy: -146.445
Base-Backbone interact. energy: -0.246
local terms energy: -150.015895
where:
bonds (distance) C4'-P energy: -30.702
bonds (distance) P-C4' energy: -29.801
flat angles C4'-P-C4' energy: -29.417
flat angles P-C4'-P energy: -24.672
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: 2, replica: 6
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -496.705252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.705252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.705252 (E_RNA)
where:
Base-Base interactions energy: -339.915
where: short stacking energy: -136.392
Base-Backbone interact. energy: -0.124
local terms energy: -156.666247
where:
bonds (distance) C4'-P energy: -28.072
bonds (distance) P-C4' energy: -30.260
flat angles C4'-P-C4' energy: -33.095
flat angles P-C4'-P energy: -26.035
tors. eta vs tors. theta energy: -39.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -478.185422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.185422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.185422 (E_RNA)
where:
Base-Base interactions energy: -327.042
where: short stacking energy: -146.178
Base-Backbone interact. energy: -0.889
local terms energy: -150.254932
where:
bonds (distance) C4'-P energy: -22.859
bonds (distance) P-C4' energy: -28.536
flat angles C4'-P-C4' energy: -32.854
flat angles P-C4'-P energy: -20.620
tors. eta vs tors. theta energy: -45.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -464.371502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.371502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.371502 (E_RNA)
where:
Base-Base interactions energy: -321.512
where: short stacking energy: -133.537
Base-Backbone interact. energy: -0.399
local terms energy: -142.459949
where:
bonds (distance) C4'-P energy: -23.738
bonds (distance) P-C4' energy: -30.245
flat angles C4'-P-C4' energy: -31.073
flat angles P-C4'-P energy: -22.137
tors. eta vs tors. theta energy: -35.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -426.466443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.466443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.466443 (E_RNA)
where:
Base-Base interactions energy: -299.428
where: short stacking energy: -119.224
Base-Backbone interact. energy: 0.144
local terms energy: -127.182965
where:
bonds (distance) C4'-P energy: -17.106
bonds (distance) P-C4' energy: -33.034
flat angles C4'-P-C4' energy: -26.284
flat angles P-C4'-P energy: -18.880
tors. eta vs tors. theta energy: -31.879
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: 10
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -358.873122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.873122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.873122 (E_RNA)
where:
Base-Base interactions energy: -234.906
where: short stacking energy: -103.605
Base-Backbone interact. energy: -0.436
local terms energy: -123.531042
where:
bonds (distance) C4'-P energy: -27.328
bonds (distance) P-C4' energy: -25.512
flat angles C4'-P-C4' energy: -35.990
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -21.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -318.173404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.173404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.173404 (E_RNA)
where:
Base-Base interactions energy: -201.171
where: short stacking energy: -83.620
Base-Backbone interact. energy: -0.601
local terms energy: -116.401304
where:
bonds (distance) C4'-P energy: -23.960
bonds (distance) P-C4' energy: -29.104
flat angles C4'-P-C4' energy: -26.634
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -19.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -290.400344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.400344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.400344 (E_RNA)
where:
Base-Base interactions energy: -185.857
where: short stacking energy: -88.426
Base-Backbone interact. energy: -0.321
local terms energy: -104.222350
where:
bonds (distance) C4'-P energy: -23.749
bonds (distance) P-C4' energy: -24.023
flat angles C4'-P-C4' energy: -21.683
flat angles P-C4'-P energy: -19.166
tors. eta vs tors. theta energy: -15.601
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: 117
Temperature: 1.300000
Total energy: -199.835285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.835285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.835285 (E_RNA)
where:
Base-Base interactions energy: -109.926
where: short stacking energy: -57.410
Base-Backbone interact. energy: 1.567
local terms energy: -91.476357
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -30.744
flat angles C4'-P-C4' energy: -21.679
flat angles P-C4'-P energy: -16.348
tors. eta vs tors. theta energy: -3.315
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: 10, replica: 9
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -128.003170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.003170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.003170 (E_RNA)
where:
Base-Base interactions energy: -43.574
where: short stacking energy: -40.115
Base-Backbone interact. energy: -0.555
local terms energy: -83.874236
where:
bonds (distance) C4'-P energy: -23.594
bonds (distance) P-C4' energy: -28.029
flat angles C4'-P-C4' energy: -20.978
flat angles P-C4'-P energy: -20.632
tors. eta vs tors. theta energy: 9.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -520.085216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.085216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.085216 (E_RNA)
where:
Base-Base interactions energy: -382.311
where: short stacking energy: -151.429
Base-Backbone interact. energy: -0.080
local terms energy: -137.694444
where:
bonds (distance) C4'-P energy: -22.458
bonds (distance) P-C4' energy: -30.760
flat angles C4'-P-C4' energy: -26.919
flat angles P-C4'-P energy: -21.189
tors. eta vs tors. theta energy: -36.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -499.557226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.557226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.557226 (E_RNA)
where:
Base-Base interactions energy: -340.608
where: short stacking energy: -148.680
Base-Backbone interact. energy: -0.414
local terms energy: -158.535815
where:
bonds (distance) C4'-P energy: -26.556
bonds (distance) P-C4' energy: -31.650
flat angles C4'-P-C4' energy: -33.887
flat angles P-C4'-P energy: -21.665
tors. eta vs tors. theta energy: -44.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -464.902976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.902976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.902976 (E_RNA)
where:
Base-Base interactions energy: -332.328
where: short stacking energy: -141.708
Base-Backbone interact. energy: 0.078
local terms energy: -132.652783
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -27.459
flat angles C4'-P-C4' energy: -32.867
flat angles P-C4'-P energy: -19.768
tors. eta vs tors. theta energy: -34.693
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: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -472.886458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.886458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.886458 (E_RNA)
where:
Base-Base interactions energy: -329.827
where: short stacking energy: -149.418
Base-Backbone interact. energy: -0.328
local terms energy: -142.731751
where:
bonds (distance) C4'-P energy: -26.557
bonds (distance) P-C4' energy: -31.251
flat angles C4'-P-C4' energy: -30.723
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -41.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -425.907470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.907470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.907470 (E_RNA)
where:
Base-Base interactions energy: -311.095
where: short stacking energy: -120.357
Base-Backbone interact. energy: 0.321
local terms energy: -115.133030
where:
bonds (distance) C4'-P energy: -23.666
bonds (distance) P-C4' energy: -23.477
flat angles C4'-P-C4' energy: -26.174
flat angles P-C4'-P energy: -15.138
tors. eta vs tors. theta energy: -26.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -415.825859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.825859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.825859 (E_RNA)
where:
Base-Base interactions energy: -300.999
where: short stacking energy: -123.997
Base-Backbone interact. energy: 2.294
local terms energy: -117.121026
where:
bonds (distance) C4'-P energy: -22.739
bonds (distance) P-C4' energy: -21.164
flat angles C4'-P-C4' energy: -27.777
flat angles P-C4'-P energy: -19.073
tors. eta vs tors. theta energy: -26.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -310.946606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.946606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.946606 (E_RNA)
where:
Base-Base interactions energy: -202.244
where: short stacking energy: -92.460
Base-Backbone interact. energy: -0.658
local terms energy: -108.044939
where:
bonds (distance) C4'-P energy: -25.563
bonds (distance) P-C4' energy: -20.544
flat angles C4'-P-C4' energy: -24.680
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -23.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -276.456777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.456777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.456777 (E_RNA)
where:
Base-Base interactions energy: -169.067
where: short stacking energy: -90.164
Base-Backbone interact. energy: -1.044
local terms energy: -106.345290
where:
bonds (distance) C4'-P energy: -26.504
bonds (distance) P-C4' energy: -25.497
flat angles C4'-P-C4' energy: -23.938
flat angles P-C4'-P energy: -16.407
tors. eta vs tors. theta energy: -13.999
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: 4
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -223.841349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.841349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.841349 (E_RNA)
where:
Base-Base interactions energy: -129.344
where: short stacking energy: -77.714
Base-Backbone interact. energy: -0.238
local terms energy: -94.260172
where:
bonds (distance) C4'-P energy: -26.417
bonds (distance) P-C4' energy: -22.520
flat angles C4'-P-C4' energy: -20.058
flat angles P-C4'-P energy: -5.260
tors. eta vs tors. theta energy: -20.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -140.756028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.756028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.756028 (E_RNA)
where:
Base-Base interactions energy: -53.245
where: short stacking energy: -53.245
Base-Backbone interact. energy: -0.620
local terms energy: -86.890891
where:
bonds (distance) C4'-P energy: -22.278
bonds (distance) P-C4' energy: -28.739
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -18.678
tors. eta vs tors. theta energy: -2.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -528.558323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.558323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.558323 (E_RNA)
where:
Base-Base interactions energy: -389.223
where: short stacking energy: -153.107
Base-Backbone interact. energy: -0.794
local terms energy: -138.540894
where:
bonds (distance) C4'-P energy: -21.234
bonds (distance) P-C4' energy: -26.761
flat angles C4'-P-C4' energy: -32.402
flat angles P-C4'-P energy: -19.074
tors. eta vs tors. theta energy: -39.070
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: 2, replica: 8
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -468.703897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.703897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.703897 (E_RNA)
where:
Base-Base interactions energy: -322.501
where: short stacking energy: -128.750
Base-Backbone interact. energy: -0.799
local terms energy: -145.403791
where:
bonds (distance) C4'-P energy: -28.902
bonds (distance) P-C4' energy: -27.805
flat angles C4'-P-C4' energy: -29.359
flat angles P-C4'-P energy: -22.170
tors. eta vs tors. theta energy: -37.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -487.329878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.329878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.329878 (E_RNA)
where:
Base-Base interactions energy: -334.972
where: short stacking energy: -140.985
Base-Backbone interact. energy: -0.326
local terms energy: -152.031417
where:
bonds (distance) C4'-P energy: -26.747
bonds (distance) P-C4' energy: -30.195
flat angles C4'-P-C4' energy: -32.635
flat angles P-C4'-P energy: -22.575
tors. eta vs tors. theta energy: -39.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -460.254791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.254791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.254791 (E_RNA)
where:
Base-Base interactions energy: -313.972
where: short stacking energy: -137.630
Base-Backbone interact. energy: -0.052
local terms energy: -146.229851
where:
bonds (distance) C4'-P energy: -25.279
bonds (distance) P-C4' energy: -28.617
flat angles C4'-P-C4' energy: -29.274
flat angles P-C4'-P energy: -17.774
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: 1
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -428.667250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.667250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.667250 (E_RNA)
where:
Base-Base interactions energy: -306.823
where: short stacking energy: -119.074
Base-Backbone interact. energy: -0.720
local terms energy: -121.124034
where:
bonds (distance) C4'-P energy: -27.445
bonds (distance) P-C4' energy: -26.432
flat angles C4'-P-C4' energy: -24.970
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -27.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -422.625274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.625274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.625274 (E_RNA)
where:
Base-Base interactions energy: -299.486
where: short stacking energy: -112.989
Base-Backbone interact. energy: 1.521
local terms energy: -124.660838
where:
bonds (distance) C4'-P energy: -27.780
bonds (distance) P-C4' energy: -27.291
flat angles C4'-P-C4' energy: -25.922
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -32.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -323.384501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.384501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.384501 (E_RNA)
where:
Base-Base interactions energy: -203.310
where: short stacking energy: -107.611
Base-Backbone interact. energy: -0.034
local terms energy: -120.040197
where:
bonds (distance) C4'-P energy: -22.909
bonds (distance) P-C4' energy: -28.099
flat angles C4'-P-C4' energy: -24.144
flat angles P-C4'-P energy: -16.560
tors. eta vs tors. theta energy: -28.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -282.209066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.209066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.209066 (E_RNA)
where:
Base-Base interactions energy: -174.847
where: short stacking energy: -93.486
Base-Backbone interact. energy: 1.499
local terms energy: -108.860927
where:
bonds (distance) C4'-P energy: -20.280
bonds (distance) P-C4' energy: -20.831
flat angles C4'-P-C4' energy: -25.476
flat angles P-C4'-P energy: -21.159
tors. eta vs tors. theta energy: -21.114
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: 119
Temperature: 1.300000
Total energy: -175.976168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.976168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.976168 (E_RNA)
where:
Base-Base interactions energy: -91.850
where: short stacking energy: -53.851
Base-Backbone interact. energy: -0.587
local terms energy: -83.538513
where:
bonds (distance) C4'-P energy: -22.242
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -24.932
flat angles P-C4'-P energy: -14.031
tors. eta vs tors. theta energy: -3.323
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: 10, replica: 9
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -142.902521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.902521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.902521 (E_RNA)
where:
Base-Base interactions energy: -53.421
where: short stacking energy: -40.994
Base-Backbone interact. energy: -0.482
local terms energy: -89.000187
where:
bonds (distance) C4'-P energy: -28.503
bonds (distance) P-C4' energy: -22.411
flat angles C4'-P-C4' energy: -19.658
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -7.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -536.386301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.386301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.386301 (E_RNA)
where:
Base-Base interactions energy: -383.473
where: short stacking energy: -151.823
Base-Backbone interact. energy: -0.616
local terms energy: -152.296869
where:
bonds (distance) C4'-P energy: -29.874
bonds (distance) P-C4' energy: -30.111
flat angles C4'-P-C4' energy: -26.803
flat angles P-C4'-P energy: -25.129
tors. eta vs tors. theta energy: -40.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -467.596048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.596048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.596048 (E_RNA)
where:
Base-Base interactions energy: -329.560
where: short stacking energy: -134.335
Base-Backbone interact. energy: 1.692
local terms energy: -139.727601
where:
bonds (distance) C4'-P energy: -26.749
bonds (distance) P-C4' energy: -24.838
flat angles C4'-P-C4' energy: -32.365
flat angles P-C4'-P energy: -17.808
tors. eta vs tors. theta energy: -37.968
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: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -482.038202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.038202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.038202 (E_RNA)
where:
Base-Base interactions energy: -337.484
where: short stacking energy: -156.099
Base-Backbone interact. energy: -0.080
local terms energy: -144.473926
where:
bonds (distance) C4'-P energy: -29.995
bonds (distance) P-C4' energy: -23.135
flat angles C4'-P-C4' energy: -33.173
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -46.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -481.023309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.023309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.023309 (E_RNA)
where:
Base-Base interactions energy: -329.677
where: short stacking energy: -146.907
Base-Backbone interact. energy: -0.436
local terms energy: -150.909569
where:
bonds (distance) C4'-P energy: -28.666
bonds (distance) P-C4' energy: -28.601
flat angles C4'-P-C4' energy: -31.447
flat angles P-C4'-P energy: -22.150
tors. eta vs tors. theta energy: -40.046
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: 10
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -443.143900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.143900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.143900 (E_RNA)
where:
Base-Base interactions energy: -311.246
where: short stacking energy: -126.354
Base-Backbone interact. energy: -0.797
local terms energy: -131.100688
where:
bonds (distance) C4'-P energy: -29.212
bonds (distance) P-C4' energy: -19.624
flat angles C4'-P-C4' energy: -30.469
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: -38.074
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: 6, replica: 1
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -426.237020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.237020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.237020 (E_RNA)
where:
Base-Base interactions energy: -314.164
where: short stacking energy: -119.155
Base-Backbone interact. energy: -0.448
local terms energy: -111.625136
where:
bonds (distance) C4'-P energy: -25.431
bonds (distance) P-C4' energy: -26.232
flat angles C4'-P-C4' energy: -22.196
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: -21.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -286.630336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.630336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.630336 (E_RNA)
where:
Base-Base interactions energy: -174.557
where: short stacking energy: -91.113
Base-Backbone interact. energy: -0.215
local terms energy: -111.858139
where:
bonds (distance) C4'-P energy: -18.792
bonds (distance) P-C4' energy: -27.058
flat angles C4'-P-C4' energy: -18.760
flat angles P-C4'-P energy: -18.147
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: 8, replica: 5
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -277.203971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.203971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.203971 (E_RNA)
where:
Base-Base interactions energy: -183.250
where: short stacking energy: -82.865
Base-Backbone interact. energy: -0.330
local terms energy: -93.624491
where:
bonds (distance) C4'-P energy: -23.209
bonds (distance) P-C4' energy: -22.527
flat angles C4'-P-C4' energy: -25.025
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -10.375
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: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -140.261256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.261256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.261256 (E_RNA)
where:
Base-Base interactions energy: -54.019
where: short stacking energy: -46.881
Base-Backbone interact. energy: -0.200
local terms energy: -86.042742
where:
bonds (distance) C4'-P energy: -26.110
bonds (distance) P-C4' energy: -22.286
flat angles C4'-P-C4' energy: -21.355
flat angles P-C4'-P energy: -16.117
tors. eta vs tors. theta energy: -0.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -185.649993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.649993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.649993 (E_RNA)
where:
Base-Base interactions energy: -94.619
where: short stacking energy: -57.452
Base-Backbone interact. energy: 1.373
local terms energy: -92.403291
where:
bonds (distance) C4'-P energy: -24.757
bonds (distance) P-C4' energy: -28.279
flat angles C4'-P-C4' energy: -19.545
flat angles P-C4'-P energy: -16.602
tors. eta vs tors. theta energy: -3.220
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: 7
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -539.314204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.314204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.314204 (E_RNA)
where:
Base-Base interactions energy: -385.421
where: short stacking energy: -164.800
Base-Backbone interact. energy: -0.370
local terms energy: -153.523216
where:
bonds (distance) C4'-P energy: -29.394
bonds (distance) P-C4' energy: -22.592
flat angles C4'-P-C4' energy: -34.133
flat angles P-C4'-P energy: -25.529
tors. eta vs tors. theta energy: -41.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -494.140524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.140524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.140524 (E_RNA)
where:
Base-Base interactions energy: -340.084
where: short stacking energy: -150.547
Base-Backbone interact. energy: -1.150
local terms energy: -152.907280
where:
bonds (distance) C4'-P energy: -28.328
bonds (distance) P-C4' energy: -24.652
flat angles C4'-P-C4' energy: -32.870
flat angles P-C4'-P energy: -17.627
tors. eta vs tors. theta energy: -49.430
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: 121
Temperature: 1.000000
Total energy: -463.380212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.380212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.380212 (E_RNA)
where:
Base-Base interactions energy: -320.806
where: short stacking energy: -135.153
Base-Backbone interact. energy: 0.090
local terms energy: -142.664798
where:
bonds (distance) C4'-P energy: -25.423
bonds (distance) P-C4' energy: -24.020
flat angles C4'-P-C4' energy: -33.542
flat angles P-C4'-P energy: -22.810
tors. eta vs tors. theta energy: -36.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -481.625130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.625130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.625130 (E_RNA)
where:
Base-Base interactions energy: -333.563
where: short stacking energy: -148.509
Base-Backbone interact. energy: -0.915
local terms energy: -147.147543
where:
bonds (distance) C4'-P energy: -31.398
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -29.209
flat angles P-C4'-P energy: -24.071
tors. eta vs tors. theta energy: -42.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -453.880383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.880383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.880383 (E_RNA)
where:
Base-Base interactions energy: -304.356
where: short stacking energy: -133.221
Base-Backbone interact. energy: -0.460
local terms energy: -149.065008
where:
bonds (distance) C4'-P energy: -28.421
bonds (distance) P-C4' energy: -30.796
flat angles C4'-P-C4' energy: -31.749
flat angles P-C4'-P energy: -21.242
tors. eta vs tors. theta energy: -36.857
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: 1
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -398.315069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.315069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.315069 (E_RNA)
where:
Base-Base interactions energy: -286.662
where: short stacking energy: -115.337
Base-Backbone interact. energy: -0.644
local terms energy: -111.009443
where:
bonds (distance) C4'-P energy: -21.549
bonds (distance) P-C4' energy: -26.939
flat angles C4'-P-C4' energy: -23.857
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -25.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -294.842568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.842568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.842568 (E_RNA)
where:
Base-Base interactions energy: -181.671
where: short stacking energy: -97.453
Base-Backbone interact. energy: 0.117
local terms energy: -113.288760
where:
bonds (distance) C4'-P energy: -18.870
bonds (distance) P-C4' energy: -29.151
flat angles C4'-P-C4' energy: -25.052
flat angles P-C4'-P energy: -16.631
tors. eta vs tors. theta energy: -23.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -234.433344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.433344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.433344 (E_RNA)
where:
Base-Base interactions energy: -132.529
where: short stacking energy: -60.039
Base-Backbone interact. energy: -0.180
local terms energy: -101.723946
where:
bonds (distance) C4'-P energy: -24.651
bonds (distance) P-C4' energy: -27.848
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -19.414
tors. eta vs tors. theta energy: -6.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -146.131669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.131669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.131669 (E_RNA)
where:
Base-Base interactions energy: -61.768
where: short stacking energy: -44.255
Base-Backbone interact. energy: -0.295
local terms energy: -84.068422
where:
bonds (distance) C4'-P energy: -23.752
bonds (distance) P-C4' energy: -25.025
flat angles C4'-P-C4' energy: -20.092
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -8.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -207.186297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.186297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.186297 (E_RNA)
where:
Base-Base interactions energy: -135.010
where: short stacking energy: -64.886
Base-Backbone interact. energy: -1.186
local terms energy: -70.990406
where:
bonds (distance) C4'-P energy: -20.800
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -19.108
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: 1.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -538.789934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.789934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.789934 (E_RNA)
where:
Base-Base interactions energy: -383.502
where: short stacking energy: -162.858
Base-Backbone interact. energy: -0.426
local terms energy: -154.862506
where:
bonds (distance) C4'-P energy: -26.395
bonds (distance) P-C4' energy: -28.600
flat angles C4'-P-C4' energy: -30.054
flat angles P-C4'-P energy: -25.496
tors. eta vs tors. theta energy: -44.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -506.399229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.399229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.399229 (E_RNA)
where:
Base-Base interactions energy: -350.758
where: short stacking energy: -156.872
Base-Backbone interact. energy: -1.510
local terms energy: -154.131731
where:
bonds (distance) C4'-P energy: -26.806
bonds (distance) P-C4' energy: -29.384
flat angles C4'-P-C4' energy: -32.975
flat angles P-C4'-P energy: -19.574
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: 3, replica: 6
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -485.981214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.981214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.981214 (E_RNA)
where:
Base-Base interactions energy: -338.122
where: short stacking energy: -144.141
Base-Backbone interact. energy: -0.554
local terms energy: -147.305366
where:
bonds (distance) C4'-P energy: -26.231
bonds (distance) P-C4' energy: -22.055
flat angles C4'-P-C4' energy: -32.824
flat angles P-C4'-P energy: -23.715
tors. eta vs tors. theta energy: -42.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -470.092899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.092899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.092899 (E_RNA)
where:
Base-Base interactions energy: -332.553
where: short stacking energy: -139.360
Base-Backbone interact. energy: 2.080
local terms energy: -139.620204
where:
bonds (distance) C4'-P energy: -25.612
bonds (distance) P-C4' energy: -28.961
flat angles C4'-P-C4' energy: -22.643
flat angles P-C4'-P energy: -23.318
tors. eta vs tors. theta energy: -39.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -428.159334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.159334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.159334 (E_RNA)
where:
Base-Base interactions energy: -303.149
where: short stacking energy: -122.372
Base-Backbone interact. energy: -0.096
local terms energy: -124.914838
where:
bonds (distance) C4'-P energy: -28.197
bonds (distance) P-C4' energy: -23.741
flat angles C4'-P-C4' energy: -29.617
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -28.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -440.490852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.490852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.490852 (E_RNA)
where:
Base-Base interactions energy: -310.075
where: short stacking energy: -126.344
Base-Backbone interact. energy: -0.285
local terms energy: -130.131048
where:
bonds (distance) C4'-P energy: -23.874
bonds (distance) P-C4' energy: -27.517
flat angles C4'-P-C4' energy: -26.062
flat angles P-C4'-P energy: -19.233
tors. eta vs tors. theta energy: -33.446
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: 122
Temperature: 1.200000
Total energy: -296.752812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.752812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.752812 (E_RNA)
where:
Base-Base interactions energy: -182.352
where: short stacking energy: -94.936
Base-Backbone interact. energy: -0.743
local terms energy: -113.658176
where:
bonds (distance) C4'-P energy: -27.158
bonds (distance) P-C4' energy: -22.835
flat angles C4'-P-C4' energy: -26.752
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -26.665
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: 5
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -229.929831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.929831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.929831 (E_RNA)
where:
Base-Base interactions energy: -120.307
where: short stacking energy: -67.378
Base-Backbone interact. energy: -0.478
local terms energy: -109.145617
where:
bonds (distance) C4'-P energy: -26.533
bonds (distance) P-C4' energy: -27.356
flat angles C4'-P-C4' energy: -26.253
flat angles P-C4'-P energy: -16.335
tors. eta vs tors. theta energy: -12.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -213.516236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.516236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.516236 (E_RNA)
where:
Base-Base interactions energy: -122.613
where: short stacking energy: -71.470
Base-Backbone interact. energy: -0.188
local terms energy: -90.714753
where:
bonds (distance) C4'-P energy: -24.870
bonds (distance) P-C4' energy: -20.304
flat angles C4'-P-C4' energy: -21.271
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -13.589
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: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -135.995191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.995191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.995191 (E_RNA)
where:
Base-Base interactions energy: -57.232
where: short stacking energy: -53.074
Base-Backbone interact. energy: -0.514
local terms energy: -78.248950
where:
bonds (distance) C4'-P energy: -19.674
bonds (distance) P-C4' energy: -26.341
flat angles C4'-P-C4' energy: -24.928
flat angles P-C4'-P energy: -5.872
tors. eta vs tors. theta energy: -1.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -542.509515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.509515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.509515 (E_RNA)
where:
Base-Base interactions energy: -382.931
where: short stacking energy: -162.937
Base-Backbone interact. energy: -0.081
local terms energy: -159.497430
where:
bonds (distance) C4'-P energy: -26.757
bonds (distance) P-C4' energy: -32.952
flat angles C4'-P-C4' energy: -30.832
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -44.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -507.958926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.958926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.958926 (E_RNA)
where:
Base-Base interactions energy: -356.975
where: short stacking energy: -156.241
Base-Backbone interact. energy: -1.064
local terms energy: -149.919481
where:
bonds (distance) C4'-P energy: -24.364
bonds (distance) P-C4' energy: -28.922
flat angles C4'-P-C4' energy: -31.371
flat angles P-C4'-P energy: -22.644
tors. eta vs tors. theta energy: -42.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -483.660779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.660779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.660779 (E_RNA)
where:
Base-Base interactions energy: -336.370
where: short stacking energy: -135.484
Base-Backbone interact. energy: -0.368
local terms energy: -146.923257
where:
bonds (distance) C4'-P energy: -26.888
bonds (distance) P-C4' energy: -29.702
flat angles C4'-P-C4' energy: -32.722
flat angles P-C4'-P energy: -18.021
tors. eta vs tors. theta energy: -39.591
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: 4, replica: 8
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -482.811601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.811601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.811601 (E_RNA)
where:
Base-Base interactions energy: -341.852
where: short stacking energy: -132.473
Base-Backbone interact. energy: -0.783
local terms energy: -140.176311
where:
bonds (distance) C4'-P energy: -26.473
bonds (distance) P-C4' energy: -26.419
flat angles C4'-P-C4' energy: -29.739
flat angles P-C4'-P energy: -20.335
tors. eta vs tors. theta energy: -37.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -411.240206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.240206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.240206 (E_RNA)
where:
Base-Base interactions energy: -290.997
where: short stacking energy: -112.984
Base-Backbone interact. energy: 0.118
local terms energy: -120.360891
where:
bonds (distance) C4'-P energy: -29.194
bonds (distance) P-C4' energy: -23.193
flat angles C4'-P-C4' energy: -27.411
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -27.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -413.541849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.541849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.541849 (E_RNA)
where:
Base-Base interactions energy: -294.945
where: short stacking energy: -108.658
Base-Backbone interact. energy: -0.281
local terms energy: -118.315574
where:
bonds (distance) C4'-P energy: -21.076
bonds (distance) P-C4' energy: -21.707
flat angles C4'-P-C4' energy: -28.250
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: -32.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -292.459608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.459608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.459608 (E_RNA)
where:
Base-Base interactions energy: -171.212
where: short stacking energy: -101.923
Base-Backbone interact. energy: 0.155
local terms energy: -121.402140
where:
bonds (distance) C4'-P energy: -26.827
bonds (distance) P-C4' energy: -29.544
flat angles C4'-P-C4' energy: -22.635
flat angles P-C4'-P energy: -16.095
tors. eta vs tors. theta energy: -26.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -215.351899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.351899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.351899 (E_RNA)
where:
Base-Base interactions energy: -116.081
where: short stacking energy: -59.708
Base-Backbone interact. energy: -0.646
local terms energy: -98.624507
where:
bonds (distance) C4'-P energy: -24.949
bonds (distance) P-C4' energy: -25.326
flat angles C4'-P-C4' energy: -25.347
flat angles P-C4'-P energy: -16.157
tors. eta vs tors. theta energy: -6.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -191.140737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.140737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.140737 (E_RNA)
where:
Base-Base interactions energy: -99.706
where: short stacking energy: -55.882
Base-Backbone interact. energy: -0.850
local terms energy: -90.585150
where:
bonds (distance) C4'-P energy: -21.808
bonds (distance) P-C4' energy: -21.522
flat angles C4'-P-C4' energy: -28.733
flat angles P-C4'-P energy: -15.208
tors. eta vs tors. theta energy: -3.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -136.704737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.704737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.704737 (E_RNA)
where:
Base-Base interactions energy: -48.489
where: short stacking energy: -37.428
Base-Backbone interact. energy: 1.085
local terms energy: -89.301038
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -28.214
flat angles C4'-P-C4' energy: -27.075
flat angles P-C4'-P energy: -15.984
tors. eta vs tors. theta energy: 1.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -537.330143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.330143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.330143 (E_RNA)
where:
Base-Base interactions energy: -373.129
where: short stacking energy: -162.128
Base-Backbone interact. energy: -0.012
local terms energy: -164.189437
where:
bonds (distance) C4'-P energy: -32.362
bonds (distance) P-C4' energy: -26.121
flat angles C4'-P-C4' energy: -34.319
flat angles P-C4'-P energy: -25.587
tors. eta vs tors. theta energy: -45.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -494.505187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.505187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.505187 (E_RNA)
where:
Base-Base interactions energy: -338.741
where: short stacking energy: -148.231
Base-Backbone interact. energy: -0.641
local terms energy: -155.123403
where:
bonds (distance) C4'-P energy: -31.906
bonds (distance) P-C4' energy: -29.487
flat angles C4'-P-C4' energy: -31.777
flat angles P-C4'-P energy: -17.382
tors. eta vs tors. theta energy: -44.571
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: 8
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -461.548959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.548959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.548959 (E_RNA)
where:
Base-Base interactions energy: -321.701
where: short stacking energy: -136.772
Base-Backbone interact. energy: -0.466
local terms energy: -139.382593
where:
bonds (distance) C4'-P energy: -26.625
bonds (distance) P-C4' energy: -26.332
flat angles C4'-P-C4' energy: -32.558
flat angles P-C4'-P energy: -22.295
tors. eta vs tors. theta energy: -31.572
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: 6
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -476.078720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.078720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.078720 (E_RNA)
where:
Base-Base interactions energy: -333.361
where: short stacking energy: -141.219
Base-Backbone interact. energy: -0.414
local terms energy: -142.304030
where:
bonds (distance) C4'-P energy: -25.497
bonds (distance) P-C4' energy: -32.169
flat angles C4'-P-C4' energy: -27.469
flat angles P-C4'-P energy: -17.825
tors. eta vs tors. theta energy: -39.344
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: 1
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -441.005878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.005878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.005878 (E_RNA)
where:
Base-Base interactions energy: -315.616
where: short stacking energy: -129.956
Base-Backbone interact. energy: -0.666
local terms energy: -124.724470
where:
bonds (distance) C4'-P energy: -26.500
bonds (distance) P-C4' energy: -21.415
flat angles C4'-P-C4' energy: -27.566
flat angles P-C4'-P energy: -14.239
tors. eta vs tors. theta energy: -35.005
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: 10
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -403.013102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.013102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.013102 (E_RNA)
where:
Base-Base interactions energy: -282.327
where: short stacking energy: -104.227
Base-Backbone interact. energy: -0.416
local terms energy: -120.270511
where:
bonds (distance) C4'-P energy: -20.356
bonds (distance) P-C4' energy: -22.646
flat angles C4'-P-C4' energy: -30.452
flat angles P-C4'-P energy: -16.142
tors. eta vs tors. theta energy: -30.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -271.308729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.308729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.308729 (E_RNA)
where:
Base-Base interactions energy: -159.544
where: short stacking energy: -77.031
Base-Backbone interact. energy: 0.717
local terms energy: -112.481160
where:
bonds (distance) C4'-P energy: -29.615
bonds (distance) P-C4' energy: -27.873
flat angles C4'-P-C4' energy: -26.637
flat angles P-C4'-P energy: -14.955
tors. eta vs tors. theta energy: -13.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -230.508208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.508208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.508208 (E_RNA)
where:
Base-Base interactions energy: -115.526
where: short stacking energy: -65.831
Base-Backbone interact. energy: 1.066
local terms energy: -116.048476
where:
bonds (distance) C4'-P energy: -25.156
bonds (distance) P-C4' energy: -28.460
flat angles C4'-P-C4' energy: -30.601
flat angles P-C4'-P energy: -18.835
tors. eta vs tors. theta energy: -12.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -193.425410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.425410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.425410 (E_RNA)
where:
Base-Base interactions energy: -107.160
where: short stacking energy: -54.844
Base-Backbone interact. energy: 3.830
local terms energy: -90.094846
where:
bonds (distance) C4'-P energy: -25.852
bonds (distance) P-C4' energy: -28.547
flat angles C4'-P-C4' energy: -18.706
flat angles P-C4'-P energy: -18.637
tors. eta vs tors. theta energy: 1.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -138.440183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.440183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.440183 (E_RNA)
where:
Base-Base interactions energy: -65.208
where: short stacking energy: -46.558
Base-Backbone interact. energy: 2.329
local terms energy: -75.562069
where:
bonds (distance) C4'-P energy: -19.501
bonds (distance) P-C4' energy: -25.319
flat angles C4'-P-C4' energy: -18.309
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -0.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -534.641304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.641304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.641304 (E_RNA)
where:
Base-Base interactions energy: -375.964
where: short stacking energy: -159.700
Base-Backbone interact. energy: -0.355
local terms energy: -158.323054
where:
bonds (distance) C4'-P energy: -29.994
bonds (distance) P-C4' energy: -28.126
flat angles C4'-P-C4' energy: -33.516
flat angles P-C4'-P energy: -23.966
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: 8
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -471.944904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.944904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.944904 (E_RNA)
where:
Base-Base interactions energy: -331.221
where: short stacking energy: -131.434
Base-Backbone interact. energy: -0.214
local terms energy: -140.510274
where:
bonds (distance) C4'-P energy: -25.502
bonds (distance) P-C4' energy: -22.984
flat angles C4'-P-C4' energy: -31.165
flat angles P-C4'-P energy: -22.133
tors. eta vs tors. theta energy: -38.725
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: 3
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -479.148452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.148452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.148452 (E_RNA)
where:
Base-Base interactions energy: -317.427
where: short stacking energy: -145.706
Base-Backbone interact. energy: -0.005
local terms energy: -161.715833
where:
bonds (distance) C4'-P energy: -29.351
bonds (distance) P-C4' energy: -29.442
flat angles C4'-P-C4' energy: -32.268
flat angles P-C4'-P energy: -24.792
tors. eta vs tors. theta energy: -45.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -484.692352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.692352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.692352 (E_RNA)
where:
Base-Base interactions energy: -333.896
where: short stacking energy: -141.186
Base-Backbone interact. energy: -0.285
local terms energy: -150.510694
where:
bonds (distance) C4'-P energy: -29.733
bonds (distance) P-C4' energy: -24.481
flat angles C4'-P-C4' energy: -28.930
flat angles P-C4'-P energy: -24.530
tors. eta vs tors. theta energy: -42.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -424.559537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.559537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.559537 (E_RNA)
where:
Base-Base interactions energy: -283.776
where: short stacking energy: -114.129
Base-Backbone interact. energy: -0.046
local terms energy: -140.738006
where:
bonds (distance) C4'-P energy: -29.245
bonds (distance) P-C4' energy: -24.471
flat angles C4'-P-C4' energy: -30.550
flat angles P-C4'-P energy: -24.796
tors. eta vs tors. theta energy: -31.676
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: 6, replica: 10
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -395.631426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.631426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.631426 (E_RNA)
where:
Base-Base interactions energy: -274.637
where: short stacking energy: -107.140
Base-Backbone interact. energy: -0.099
local terms energy: -120.894904
where:
bonds (distance) C4'-P energy: -23.340
bonds (distance) P-C4' energy: -30.197
flat angles C4'-P-C4' energy: -26.365
flat angles P-C4'-P energy: -12.428
tors. eta vs tors. theta energy: -28.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -277.989612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.989612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.989612 (E_RNA)
where:
Base-Base interactions energy: -166.256
where: short stacking energy: -75.947
Base-Backbone interact. energy: 1.875
local terms energy: -113.608965
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -27.254
flat angles C4'-P-C4' energy: -28.573
flat angles P-C4'-P energy: -20.762
tors. eta vs tors. theta energy: -19.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -232.736644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.736644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.736644 (E_RNA)
where:
Base-Base interactions energy: -131.414
where: short stacking energy: -81.866
Base-Backbone interact. energy: -0.398
local terms energy: -100.925203
where:
bonds (distance) C4'-P energy: -21.585
bonds (distance) P-C4' energy: -25.386
flat angles C4'-P-C4' energy: -22.826
flat angles P-C4'-P energy: -17.086
tors. eta vs tors. theta energy: -14.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -215.057076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.057076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.057076 (E_RNA)
where:
Base-Base interactions energy: -132.414
where: short stacking energy: -76.140
Base-Backbone interact. energy: 0.260
local terms energy: -82.902601
where:
bonds (distance) C4'-P energy: -23.638
bonds (distance) P-C4' energy: -24.885
flat angles C4'-P-C4' energy: -19.612
flat angles P-C4'-P energy: -2.260
tors. eta vs tors. theta energy: -12.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -129.325498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.325498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.325498 (E_RNA)
where:
Base-Base interactions energy: -53.956
where: short stacking energy: -39.407
Base-Backbone interact. energy: 0.308
local terms energy: -75.677220
where:
bonds (distance) C4'-P energy: -22.978
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -29.679
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: 4.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -533.550391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.550391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.550391 (E_RNA)
where:
Base-Base interactions energy: -382.567
where: short stacking energy: -162.991
Base-Backbone interact. energy: -0.628
local terms energy: -150.355288
where:
bonds (distance) C4'-P energy: -22.651
bonds (distance) P-C4' energy: -28.096
flat angles C4'-P-C4' energy: -34.364
flat angles P-C4'-P energy: -22.592
tors. eta vs tors. theta energy: -42.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -477.288336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.288336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.288336 (E_RNA)
where:
Base-Base interactions energy: -333.653
where: short stacking energy: -129.916
Base-Backbone interact. energy: 0.782
local terms energy: -144.417146
where:
bonds (distance) C4'-P energy: -30.099
bonds (distance) P-C4' energy: -28.627
flat angles C4'-P-C4' energy: -28.460
flat angles P-C4'-P energy: -24.746
tors. eta vs tors. theta energy: -32.486
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: 126
Temperature: 1.000000
Total energy: -482.638215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.638215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.638215 (E_RNA)
where:
Base-Base interactions energy: -332.573
where: short stacking energy: -147.941
Base-Backbone interact. energy: -0.066
local terms energy: -149.999190
where:
bonds (distance) C4'-P energy: -23.474
bonds (distance) P-C4' energy: -25.603
flat angles C4'-P-C4' energy: -32.143
flat angles P-C4'-P energy: -24.462
tors. eta vs tors. theta energy: -44.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -461.429344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.429344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.429344 (E_RNA)
where:
Base-Base interactions energy: -314.208
where: short stacking energy: -134.679
Base-Backbone interact. energy: -1.085
local terms energy: -146.136715
where:
bonds (distance) C4'-P energy: -22.699
bonds (distance) P-C4' energy: -24.589
flat angles C4'-P-C4' energy: -34.122
flat angles P-C4'-P energy: -20.169
tors. eta vs tors. theta energy: -44.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -436.590246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.590246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.590246 (E_RNA)
where:
Base-Base interactions energy: -301.643
where: short stacking energy: -123.360
Base-Backbone interact. energy: 0.073
local terms energy: -135.020695
where:
bonds (distance) C4'-P energy: -28.815
bonds (distance) P-C4' energy: -23.237
flat angles C4'-P-C4' energy: -27.769
flat angles P-C4'-P energy: -20.962
tors. eta vs tors. theta energy: -34.239
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: 10
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -363.595909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.595909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.595909 (E_RNA)
where:
Base-Base interactions energy: -249.106
where: short stacking energy: -100.077
Base-Backbone interact. energy: -0.259
local terms energy: -114.231315
where:
bonds (distance) C4'-P energy: -20.660
bonds (distance) P-C4' energy: -28.043
flat angles C4'-P-C4' energy: -26.576
flat angles P-C4'-P energy: -16.651
tors. eta vs tors. theta energy: -22.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -292.357185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.357185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.357185 (E_RNA)
where:
Base-Base interactions energy: -190.026
where: short stacking energy: -87.151
Base-Backbone interact. energy: -2.514
local terms energy: -99.816963
where:
bonds (distance) C4'-P energy: -22.201
bonds (distance) P-C4' energy: -23.046
flat angles C4'-P-C4' energy: -23.049
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -18.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -200.041744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.041744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.041744 (E_RNA)
where:
Base-Base interactions energy: -103.495
where: short stacking energy: -61.361
Base-Backbone interact. energy: 0.346
local terms energy: -96.892187
where:
bonds (distance) C4'-P energy: -27.417
bonds (distance) P-C4' energy: -30.931
flat angles C4'-P-C4' energy: -19.729
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -7.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -220.621260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.621260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.621260 (E_RNA)
where:
Base-Base interactions energy: -127.070
where: short stacking energy: -75.851
Base-Backbone interact. energy: -0.785
local terms energy: -92.766189
where:
bonds (distance) C4'-P energy: -25.710
bonds (distance) P-C4' energy: -26.559
flat angles C4'-P-C4' energy: -27.495
flat angles P-C4'-P energy: -5.848
tors. eta vs tors. theta energy: -7.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -170.943826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.943826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.943826 (E_RNA)
where:
Base-Base interactions energy: -87.844
where: short stacking energy: -47.463
Base-Backbone interact. energy: 0.769
local terms energy: -83.868382
where:
bonds (distance) C4'-P energy: -18.597
bonds (distance) P-C4' energy: -28.837
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -15.448
tors. eta vs tors. theta energy: -3.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -530.459673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.459673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.459673 (E_RNA)
where:
Base-Base interactions energy: -380.269
where: short stacking energy: -157.936
Base-Backbone interact. energy: -0.357
local terms energy: -149.833442
where:
bonds (distance) C4'-P energy: -25.836
bonds (distance) P-C4' energy: -26.811
flat angles C4'-P-C4' energy: -31.703
flat angles P-C4'-P energy: -19.993
tors. eta vs tors. theta energy: -45.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -498.271198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.271198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.271198 (E_RNA)
where:
Base-Base interactions energy: -347.615
where: short stacking energy: -146.448
Base-Backbone interact. energy: 0.207
local terms energy: -150.863561
where:
bonds (distance) C4'-P energy: -23.563
bonds (distance) P-C4' energy: -31.848
flat angles C4'-P-C4' energy: -32.981
flat angles P-C4'-P energy: -21.670
tors. eta vs tors. theta energy: -40.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -446.271518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.271518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.271518 (E_RNA)
where:
Base-Base interactions energy: -318.606
where: short stacking energy: -135.855
Base-Backbone interact. energy: -1.108
local terms energy: -126.557034
where:
bonds (distance) C4'-P energy: -27.652
bonds (distance) P-C4' energy: -23.488
flat angles C4'-P-C4' energy: -23.382
flat angles P-C4'-P energy: -17.565
tors. eta vs tors. theta energy: -34.471
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: 3
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -457.156458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.156458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.156458 (E_RNA)
where:
Base-Base interactions energy: -308.068
where: short stacking energy: -144.144
Base-Backbone interact. energy: -0.490
local terms energy: -148.597661
where:
bonds (distance) C4'-P energy: -28.823
bonds (distance) P-C4' energy: -28.726
flat angles C4'-P-C4' energy: -29.328
flat angles P-C4'-P energy: -20.767
tors. eta vs tors. theta energy: -40.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -446.913931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.913931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.913931 (E_RNA)
where:
Base-Base interactions energy: -319.849
where: short stacking energy: -128.473
Base-Backbone interact. energy: -0.197
local terms energy: -126.868090
where:
bonds (distance) C4'-P energy: -22.933
bonds (distance) P-C4' energy: -30.302
flat angles C4'-P-C4' energy: -25.605
flat angles P-C4'-P energy: -15.295
tors. eta vs tors. theta energy: -32.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -385.752563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.752563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.752563 (E_RNA)
where:
Base-Base interactions energy: -264.013
where: short stacking energy: -108.094
Base-Backbone interact. energy: -0.444
local terms energy: -121.295080
where:
bonds (distance) C4'-P energy: -28.875
bonds (distance) P-C4' energy: -29.777
flat angles C4'-P-C4' energy: -28.210
flat angles P-C4'-P energy: -14.666
tors. eta vs tors. theta energy: -19.767
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: 127
Temperature: 1.200000
Total energy: -296.580143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.580143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.580143 (E_RNA)
where:
Base-Base interactions energy: -179.062
where: short stacking energy: -90.811
Base-Backbone interact. energy: -0.485
local terms energy: -117.032511
where:
bonds (distance) C4'-P energy: -23.530
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -26.693
flat angles P-C4'-P energy: -19.676
tors. eta vs tors. theta energy: -24.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -271.020555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.020555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.020555 (E_RNA)
where:
Base-Base interactions energy: -181.193
where: short stacking energy: -79.134
Base-Backbone interact. energy: 0.614
local terms energy: -90.442186
where:
bonds (distance) C4'-P energy: -19.483
bonds (distance) P-C4' energy: -26.116
flat angles C4'-P-C4' energy: -21.722
flat angles P-C4'-P energy: -15.662
tors. eta vs tors. theta energy: -7.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -209.485485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.485485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.485485 (E_RNA)
where:
Base-Base interactions energy: -108.397
where: short stacking energy: -62.791
Base-Backbone interact. energy: -0.885
local terms energy: -100.203928
where:
bonds (distance) C4'-P energy: -29.197
bonds (distance) P-C4' energy: -31.123
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -11.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -286.060999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.060999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.060999 (E_RNA)
where:
Base-Base interactions energy: -183.691
where: short stacking energy: -83.947
Base-Backbone interact. energy: -0.498
local terms energy: -101.872447
where:
bonds (distance) C4'-P energy: -26.787
bonds (distance) P-C4' energy: -17.807
flat angles C4'-P-C4' energy: -25.841
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -22.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -545.440211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.440211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.440211 (E_RNA)
where:
Base-Base interactions energy: -383.655
where: short stacking energy: -159.056
Base-Backbone interact. energy: -0.587
local terms energy: -161.198283
where:
bonds (distance) C4'-P energy: -27.502
bonds (distance) P-C4' energy: -29.355
flat angles C4'-P-C4' energy: -30.012
flat angles P-C4'-P energy: -27.263
tors. eta vs tors. theta energy: -47.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -496.127382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.127382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.127382 (E_RNA)
where:
Base-Base interactions energy: -345.946
where: short stacking energy: -146.210
Base-Backbone interact. energy: 2.012
local terms energy: -152.193182
where:
bonds (distance) C4'-P energy: -28.218
bonds (distance) P-C4' energy: -26.626
flat angles C4'-P-C4' energy: -31.178
flat angles P-C4'-P energy: -22.157
tors. eta vs tors. theta energy: -44.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -473.413662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.413662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.413662 (E_RNA)
where:
Base-Base interactions energy: -327.029
where: short stacking energy: -151.627
Base-Backbone interact. energy: -0.442
local terms energy: -145.942466
where:
bonds (distance) C4'-P energy: -27.378
bonds (distance) P-C4' energy: -27.539
flat angles C4'-P-C4' energy: -30.592
flat angles P-C4'-P energy: -18.803
tors. eta vs tors. theta energy: -41.631
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: 4, replica: 8
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -453.426276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.426276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.426276 (E_RNA)
where:
Base-Base interactions energy: -320.907
where: short stacking energy: -128.993
Base-Backbone interact. energy: -0.532
local terms energy: -131.987727
where:
bonds (distance) C4'-P energy: -25.257
bonds (distance) P-C4' energy: -22.573
flat angles C4'-P-C4' energy: -29.378
flat angles P-C4'-P energy: -18.838
tors. eta vs tors. theta energy: -35.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -429.718394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.718394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.718394 (E_RNA)
where:
Base-Base interactions energy: -300.513
where: short stacking energy: -115.395
Base-Backbone interact. energy: -0.385
local terms energy: -128.820250
where:
bonds (distance) C4'-P energy: -23.490
bonds (distance) P-C4' energy: -28.256
flat angles C4'-P-C4' energy: -26.526
flat angles P-C4'-P energy: -17.504
tors. eta vs tors. theta energy: -33.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -381.167340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.167340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.167340 (E_RNA)
where:
Base-Base interactions energy: -264.354
where: short stacking energy: -112.263
Base-Backbone interact. energy: -0.159
local terms energy: -116.654804
where:
bonds (distance) C4'-P energy: -23.809
bonds (distance) P-C4' energy: -29.395
flat angles C4'-P-C4' energy: -27.458
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -24.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -301.851146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.851146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.851146 (E_RNA)
where:
Base-Base interactions energy: -179.380
where: short stacking energy: -98.080
Base-Backbone interact. energy: -0.141
local terms energy: -122.330208
where:
bonds (distance) C4'-P energy: -25.328
bonds (distance) P-C4' energy: -26.323
flat angles C4'-P-C4' energy: -21.871
flat angles P-C4'-P energy: -18.239
tors. eta vs tors. theta energy: -30.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -332.593378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.593378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.593378 (E_RNA)
where:
Base-Base interactions energy: -209.652
where: short stacking energy: -93.859
Base-Backbone interact. energy: -0.156
local terms energy: -122.785429
where:
bonds (distance) C4'-P energy: -28.895
bonds (distance) P-C4' energy: -28.984
flat angles C4'-P-C4' energy: -29.300
flat angles P-C4'-P energy: -14.406
tors. eta vs tors. theta energy: -21.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -301.594977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.594977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.594977 (E_RNA)
where:
Base-Base interactions energy: -189.559
where: short stacking energy: -76.266
Base-Backbone interact. energy: -0.863
local terms energy: -111.172317
where:
bonds (distance) C4'-P energy: -23.244
bonds (distance) P-C4' energy: -28.281
flat angles C4'-P-C4' energy: -20.635
flat angles P-C4'-P energy: -18.006
tors. eta vs tors. theta energy: -21.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -205.489822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.489822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.489822 (E_RNA)
where:
Base-Base interactions energy: -116.228
where: short stacking energy: -57.563
Base-Backbone interact. energy: 2.814
local terms energy: -92.075436
where:
bonds (distance) C4'-P energy: -19.907
bonds (distance) P-C4' energy: -29.146
flat angles C4'-P-C4' energy: -26.144
flat angles P-C4'-P energy: -14.648
tors. eta vs tors. theta energy: -2.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -528.361480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.361480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.361480 (E_RNA)
where:
Base-Base interactions energy: -371.415
where: short stacking energy: -157.144
Base-Backbone interact. energy: -0.363
local terms energy: -156.584207
where:
bonds (distance) C4'-P energy: -28.350
bonds (distance) P-C4' energy: -31.220
flat angles C4'-P-C4' energy: -34.345
flat angles P-C4'-P energy: -21.540
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: 3
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -472.473174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.473174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.473174 (E_RNA)
where:
Base-Base interactions energy: -315.409
where: short stacking energy: -149.761
Base-Backbone interact. energy: -0.389
local terms energy: -156.675097
where:
bonds (distance) C4'-P energy: -30.905
bonds (distance) P-C4' energy: -28.425
flat angles C4'-P-C4' energy: -31.015
flat angles P-C4'-P energy: -21.747
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: 3, replica: 6
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -470.475321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.475321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.475321 (E_RNA)
where:
Base-Base interactions energy: -333.608
where: short stacking energy: -129.873
Base-Backbone interact. energy: 1.830
local terms energy: -138.697690
where:
bonds (distance) C4'-P energy: -23.636
bonds (distance) P-C4' energy: -28.304
flat angles C4'-P-C4' energy: -31.999
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -42.414
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: 8
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -462.419450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.419450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.419450 (E_RNA)
where:
Base-Base interactions energy: -318.466
where: short stacking energy: -137.629
Base-Backbone interact. energy: -0.391
local terms energy: -143.562651
where:
bonds (distance) C4'-P energy: -26.688
bonds (distance) P-C4' energy: -27.195
flat angles C4'-P-C4' energy: -31.234
flat angles P-C4'-P energy: -22.528
tors. eta vs tors. theta energy: -35.918
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: 129
Temperature: 1.100000
Total energy: -453.043169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.043169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.043169 (E_RNA)
where:
Base-Base interactions energy: -319.440
where: short stacking energy: -139.477
Base-Backbone interact. energy: 1.012
local terms energy: -134.615259
where:
bonds (distance) C4'-P energy: -30.737
bonds (distance) P-C4' energy: -27.551
flat angles C4'-P-C4' energy: -29.704
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -35.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -368.402219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.402219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.402219 (E_RNA)
where:
Base-Base interactions energy: -255.831
where: short stacking energy: -113.134
Base-Backbone interact. energy: -0.656
local terms energy: -111.915092
where:
bonds (distance) C4'-P energy: -23.589
bonds (distance) P-C4' energy: -25.962
flat angles C4'-P-C4' energy: -25.955
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -24.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -376.550672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.550672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.550672 (E_RNA)
where:
Base-Base interactions energy: -252.676
where: short stacking energy: -116.376
Base-Backbone interact. energy: -0.094
local terms energy: -123.780457
where:
bonds (distance) C4'-P energy: -20.866
bonds (distance) P-C4' energy: -23.544
flat angles C4'-P-C4' energy: -24.320
flat angles P-C4'-P energy: -18.088
tors. eta vs tors. theta energy: -36.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -294.577471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.577471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.577471 (E_RNA)
where:
Base-Base interactions energy: -188.388
where: short stacking energy: -84.272
Base-Backbone interact. energy: -0.987
local terms energy: -105.203065
where:
bonds (distance) C4'-P energy: -24.019
bonds (distance) P-C4' energy: -23.711
flat angles C4'-P-C4' energy: -26.097
flat angles P-C4'-P energy: -16.184
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: 9, replica: 9
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -307.488626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.488626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.488626 (E_RNA)
where:
Base-Base interactions energy: -207.355
where: short stacking energy: -91.723
Base-Backbone interact. energy: -1.752
local terms energy: -98.380792
where:
bonds (distance) C4'-P energy: -19.159
bonds (distance) P-C4' energy: -30.771
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -17.429
tors. eta vs tors. theta energy: -14.134
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: 5
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -193.712930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.712930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.712930 (E_RNA)
where:
Base-Base interactions energy: -99.395
where: short stacking energy: -46.932
Base-Backbone interact. energy: -0.342
local terms energy: -93.975878
where:
bonds (distance) C4'-P energy: -24.408
bonds (distance) P-C4' energy: -34.333
flat angles C4'-P-C4' energy: -19.643
flat angles P-C4'-P energy: -15.306
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: 1, replica: 7
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -525.419044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.419044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.419044 (E_RNA)
where:
Base-Base interactions energy: -367.207
where: short stacking energy: -149.074
Base-Backbone interact. energy: -0.105
local terms energy: -158.107392
where:
bonds (distance) C4'-P energy: -34.772
bonds (distance) P-C4' energy: -27.753
flat angles C4'-P-C4' energy: -33.818
flat angles P-C4'-P energy: -20.470
tors. eta vs tors. theta energy: -41.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -489.064978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.064978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.064978 (E_RNA)
where:
Base-Base interactions energy: -335.207
where: short stacking energy: -151.029
Base-Backbone interact. energy: -1.291
local terms energy: -152.566739
where:
bonds (distance) C4'-P energy: -27.700
bonds (distance) P-C4' energy: -31.228
flat angles C4'-P-C4' energy: -31.152
flat angles P-C4'-P energy: -17.527
tors. eta vs tors. theta energy: -44.960
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: 3, replica: 8
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -454.401904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.401904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.401904 (E_RNA)
where:
Base-Base interactions energy: -319.740
where: short stacking energy: -132.357
Base-Backbone interact. energy: -0.787
local terms energy: -133.875040
where:
bonds (distance) C4'-P energy: -24.331
bonds (distance) P-C4' energy: -26.262
flat angles C4'-P-C4' energy: -32.423
flat angles P-C4'-P energy: -22.714
tors. eta vs tors. theta energy: -28.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -443.485376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.485376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.485376 (E_RNA)
where:
Base-Base interactions energy: -299.526
where: short stacking energy: -123.428
Base-Backbone interact. energy: 0.194
local terms energy: -144.153621
where:
bonds (distance) C4'-P energy: -19.999
bonds (distance) P-C4' energy: -33.935
flat angles C4'-P-C4' energy: -27.868
flat angles P-C4'-P energy: -26.321
tors. eta vs tors. theta energy: -36.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -428.158099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.158099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.158099 (E_RNA)
where:
Base-Base interactions energy: -301.990
where: short stacking energy: -118.335
Base-Backbone interact. energy: -0.075
local terms energy: -126.093048
where:
bonds (distance) C4'-P energy: -28.497
bonds (distance) P-C4' energy: -25.539
flat angles C4'-P-C4' energy: -26.418
flat angles P-C4'-P energy: -15.725
tors. eta vs tors. theta energy: -29.914
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: 10
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -341.254678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.254678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.254678 (E_RNA)
where:
Base-Base interactions energy: -222.939
where: short stacking energy: -95.436
Base-Backbone interact. energy: -0.555
local terms energy: -117.760241
where:
bonds (distance) C4'-P energy: -27.012
bonds (distance) P-C4' energy: -29.924
flat angles C4'-P-C4' energy: -19.915
flat angles P-C4'-P energy: -20.895
tors. eta vs tors. theta energy: -20.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -376.598509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.598509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.598509 (E_RNA)
where:
Base-Base interactions energy: -244.433
where: short stacking energy: -111.708
Base-Backbone interact. energy: -0.227
local terms energy: -131.938529
where:
bonds (distance) C4'-P energy: -21.867
bonds (distance) P-C4' energy: -31.984
flat angles C4'-P-C4' energy: -24.739
flat angles P-C4'-P energy: -19.214
tors. eta vs tors. theta energy: -34.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -290.998216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.998216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.998216 (E_RNA)
where:
Base-Base interactions energy: -187.136
where: short stacking energy: -87.176
Base-Backbone interact. energy: 0.538
local terms energy: -104.399490
where:
bonds (distance) C4'-P energy: -25.145
bonds (distance) P-C4' energy: -28.480
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -17.169
tors. eta vs tors. theta energy: -18.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -307.864281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.864281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.864281 (E_RNA)
where:
Base-Base interactions energy: -207.644
where: short stacking energy: -87.233
Base-Backbone interact. energy: -0.927
local terms energy: -99.293090
where:
bonds (distance) C4'-P energy: -21.569
bonds (distance) P-C4' energy: -20.519
flat angles C4'-P-C4' energy: -19.994
flat angles P-C4'-P energy: -16.799
tors. eta vs tors. theta energy: -20.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -210.561275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.561275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.561275 (E_RNA)
where:
Base-Base interactions energy: -112.200
where: short stacking energy: -58.727
Base-Backbone interact. energy: -0.859
local terms energy: -97.502634
where:
bonds (distance) C4'-P energy: -21.831
bonds (distance) P-C4' energy: -27.374
flat angles C4'-P-C4' energy: -25.800
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -12.934
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: 1, replica: 7
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -534.352615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.352615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.352615 (E_RNA)
where:
Base-Base interactions energy: -382.265
where: short stacking energy: -160.959
Base-Backbone interact. energy: 0.255
local terms energy: -152.342362
where:
bonds (distance) C4'-P energy: -27.211
bonds (distance) P-C4' energy: -26.414
flat angles C4'-P-C4' energy: -33.712
flat angles P-C4'-P energy: -24.096
tors. eta vs tors. theta energy: -40.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -494.651102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.651102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.651102 (E_RNA)
where:
Base-Base interactions energy: -347.704
where: short stacking energy: -154.177
Base-Backbone interact. energy: -0.176
local terms energy: -146.771216
where:
bonds (distance) C4'-P energy: -24.115
bonds (distance) P-C4' energy: -26.450
flat angles C4'-P-C4' energy: -31.415
flat angles P-C4'-P energy: -16.289
tors. eta vs tors. theta energy: -48.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -461.657108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.657108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.657108 (E_RNA)
where:
Base-Base interactions energy: -317.147
where: short stacking energy: -132.880
Base-Backbone interact. energy: -1.609
local terms energy: -142.900789
where:
bonds (distance) C4'-P energy: -28.834
bonds (distance) P-C4' energy: -28.041
flat angles C4'-P-C4' energy: -27.995
flat angles P-C4'-P energy: -23.872
tors. eta vs tors. theta energy: -34.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -438.778409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.778409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.778409 (E_RNA)
where:
Base-Base interactions energy: -298.867
where: short stacking energy: -109.764
Base-Backbone interact. energy: -0.215
local terms energy: -139.696854
where:
bonds (distance) C4'-P energy: -25.434
bonds (distance) P-C4' energy: -34.592
flat angles C4'-P-C4' energy: -28.884
flat angles P-C4'-P energy: -21.004
tors. eta vs tors. theta energy: -29.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -466.071071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.071071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.071071 (E_RNA)
where:
Base-Base interactions energy: -321.640
where: short stacking energy: -139.156
Base-Backbone interact. energy: -0.930
local terms energy: -143.500296
where:
bonds (distance) C4'-P energy: -30.075
bonds (distance) P-C4' energy: -27.567
flat angles C4'-P-C4' energy: -29.601
flat angles P-C4'-P energy: -19.475
tors. eta vs tors. theta energy: -36.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -428.229855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.229855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.229855 (E_RNA)
where:
Base-Base interactions energy: -286.079
where: short stacking energy: -120.537
Base-Backbone interact. energy: -0.982
local terms energy: -141.169340
where:
bonds (distance) C4'-P energy: -26.260
bonds (distance) P-C4' energy: -24.976
flat angles C4'-P-C4' energy: -36.136
flat angles P-C4'-P energy: -16.544
tors. eta vs tors. theta energy: -37.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -279.781326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.781326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.781326 (E_RNA)
where:
Base-Base interactions energy: -180.179
where: short stacking energy: -86.358
Base-Backbone interact. energy: 0.298
local terms energy: -99.900326
where:
bonds (distance) C4'-P energy: -21.930
bonds (distance) P-C4' energy: -24.170
flat angles C4'-P-C4' energy: -27.142
flat angles P-C4'-P energy: -17.604
tors. eta vs tors. theta energy: -9.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -313.246923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.246923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.246923 (E_RNA)
where:
Base-Base interactions energy: -208.274
where: short stacking energy: -91.490
Base-Backbone interact. energy: 0.128
local terms energy: -105.101203
where:
bonds (distance) C4'-P energy: -25.611
bonds (distance) P-C4' energy: -28.866
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -17.111
tors. eta vs tors. theta energy: -18.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -292.589186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.589186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.589186 (E_RNA)
where:
Base-Base interactions energy: -194.419
where: short stacking energy: -85.344
Base-Backbone interact. energy: -0.024
local terms energy: -98.146361
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -27.225
flat angles C4'-P-C4' energy: -25.218
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -19.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -200.961803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.961803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.961803 (E_RNA)
where:
Base-Base interactions energy: -102.348
where: short stacking energy: -64.569
Base-Backbone interact. energy: -0.224
local terms energy: -98.389824
where:
bonds (distance) C4'-P energy: -29.171
bonds (distance) P-C4' energy: -24.107
flat angles C4'-P-C4' energy: -22.999
flat angles P-C4'-P energy: -17.158
tors. eta vs tors. theta energy: -4.954
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: 7
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -524.253598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.253598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.253598 (E_RNA)
where:
Base-Base interactions energy: -380.853
where: short stacking energy: -153.725
Base-Backbone interact. energy: -0.470
local terms energy: -142.930578
where:
bonds (distance) C4'-P energy: -27.647
bonds (distance) P-C4' energy: -22.686
flat angles C4'-P-C4' energy: -33.397
flat angles P-C4'-P energy: -22.810
tors. eta vs tors. theta energy: -36.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -503.580633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.580633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.580633 (E_RNA)
where:
Base-Base interactions energy: -342.601
where: short stacking energy: -158.545
Base-Backbone interact. energy: -0.251
local terms energy: -160.728272
where:
bonds (distance) C4'-P energy: -31.320
bonds (distance) P-C4' energy: -24.463
flat angles C4'-P-C4' energy: -35.557
flat angles P-C4'-P energy: -23.064
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: 132
Temperature: 1.000000
Total energy: -460.022872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.022872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.022872 (E_RNA)
where:
Base-Base interactions energy: -321.918
where: short stacking energy: -135.950
Base-Backbone interact. energy: -0.377
local terms energy: -137.727991
where:
bonds (distance) C4'-P energy: -28.793
bonds (distance) P-C4' energy: -28.584
flat angles C4'-P-C4' energy: -28.993
flat angles P-C4'-P energy: -18.108
tors. eta vs tors. theta energy: -33.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -455.956946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.956946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.956946 (E_RNA)
where:
Base-Base interactions energy: -315.685
where: short stacking energy: -123.091
Base-Backbone interact. energy: 0.557
local terms energy: -140.828826
where:
bonds (distance) C4'-P energy: -24.609
bonds (distance) P-C4' energy: -29.714
flat angles C4'-P-C4' energy: -30.610
flat angles P-C4'-P energy: -23.643
tors. eta vs tors. theta energy: -32.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -469.063472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.063472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.063472 (E_RNA)
where:
Base-Base interactions energy: -314.240
where: short stacking energy: -136.821
Base-Backbone interact. energy: -0.752
local terms energy: -154.071518
where:
bonds (distance) C4'-P energy: -26.665
bonds (distance) P-C4' energy: -31.600
flat angles C4'-P-C4' energy: -28.659
flat angles P-C4'-P energy: -25.253
tors. eta vs tors. theta energy: -41.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -431.797286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.797286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.797286 (E_RNA)
where:
Base-Base interactions energy: -298.442
where: short stacking energy: -130.593
Base-Backbone interact. energy: -0.276
local terms energy: -133.079016
where:
bonds (distance) C4'-P energy: -27.245
bonds (distance) P-C4' energy: -26.957
flat angles C4'-P-C4' energy: -27.275
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -37.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -353.868449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.868449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.868449 (E_RNA)
where:
Base-Base interactions energy: -243.027
where: short stacking energy: -100.914
Base-Backbone interact. energy: 1.199
local terms energy: -112.039818
where:
bonds (distance) C4'-P energy: -20.161
bonds (distance) P-C4' energy: -26.486
flat angles C4'-P-C4' energy: -25.893
flat angles P-C4'-P energy: -19.531
tors. eta vs tors. theta energy: -19.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -283.932885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.932885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.932885 (E_RNA)
where:
Base-Base interactions energy: -178.972
where: short stacking energy: -80.666
Base-Backbone interact. energy: -0.873
local terms energy: -104.088175
where:
bonds (distance) C4'-P energy: -22.559
bonds (distance) P-C4' energy: -28.785
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -17.816
tors. eta vs tors. theta energy: -15.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -285.847380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.847380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.847380 (E_RNA)
where:
Base-Base interactions energy: -191.523
where: short stacking energy: -67.535
Base-Backbone interact. energy: -0.582
local terms energy: -93.742724
where:
bonds (distance) C4'-P energy: -23.163
bonds (distance) P-C4' energy: -26.839
flat angles C4'-P-C4' energy: -25.929
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -6.918
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: 5
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -216.820698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.820698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.820698 (E_RNA)
where:
Base-Base interactions energy: -114.441
where: short stacking energy: -60.930
Base-Backbone interact. energy: -0.182
local terms energy: -102.197364
where:
bonds (distance) C4'-P energy: -23.431
bonds (distance) P-C4' energy: -28.057
flat angles C4'-P-C4' energy: -19.091
flat angles P-C4'-P energy: -13.776
tors. eta vs tors. theta energy: -17.843
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: 7
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -532.965432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.965432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.965432 (E_RNA)
where:
Base-Base interactions energy: -379.521
where: short stacking energy: -155.772
Base-Backbone interact. energy: -1.148
local terms energy: -152.296800
where:
bonds (distance) C4'-P energy: -24.530
bonds (distance) P-C4' energy: -31.584
flat angles C4'-P-C4' energy: -32.505
flat angles P-C4'-P energy: -19.600
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: 8
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -483.126845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.126845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.126845 (E_RNA)
where:
Base-Base interactions energy: -337.700
where: short stacking energy: -144.296
Base-Backbone interact. energy: -0.773
local terms energy: -144.654560
where:
bonds (distance) C4'-P energy: -24.388
bonds (distance) P-C4' energy: -30.902
flat angles C4'-P-C4' energy: -30.872
flat angles P-C4'-P energy: -20.444
tors. eta vs tors. theta energy: -38.049
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: 3
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -490.725934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.725934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.725934 (E_RNA)
where:
Base-Base interactions energy: -351.435
where: short stacking energy: -157.369
Base-Backbone interact. energy: -0.101
local terms energy: -139.190565
where:
bonds (distance) C4'-P energy: -20.807
bonds (distance) P-C4' energy: -27.205
flat angles C4'-P-C4' energy: -30.319
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: -46.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -472.781824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.781824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.781824 (E_RNA)
where:
Base-Base interactions energy: -326.646
where: short stacking energy: -140.853
Base-Backbone interact. energy: -0.261
local terms energy: -145.875019
where:
bonds (distance) C4'-P energy: -28.004
bonds (distance) P-C4' energy: -25.636
flat angles C4'-P-C4' energy: -32.044
flat angles P-C4'-P energy: -17.174
tors. eta vs tors. theta energy: -43.017
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: 1
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -447.318880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.318880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.318880 (E_RNA)
where:
Base-Base interactions energy: -315.854
where: short stacking energy: -130.568
Base-Backbone interact. energy: -0.255
local terms energy: -131.209918
where:
bonds (distance) C4'-P energy: -21.119
bonds (distance) P-C4' energy: -28.470
flat angles C4'-P-C4' energy: -27.587
flat angles P-C4'-P energy: -16.494
tors. eta vs tors. theta energy: -37.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -412.890314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.890314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.890314 (E_RNA)
where:
Base-Base interactions energy: -282.062
where: short stacking energy: -121.770
Base-Backbone interact. energy: -0.384
local terms energy: -130.444160
where:
bonds (distance) C4'-P energy: -25.853
bonds (distance) P-C4' energy: -26.881
flat angles C4'-P-C4' energy: -28.180
flat angles P-C4'-P energy: -22.146
tors. eta vs tors. theta energy: -27.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -364.215298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.215298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.215298 (E_RNA)
where:
Base-Base interactions energy: -249.504
where: short stacking energy: -109.419
Base-Backbone interact. energy: -0.123
local terms energy: -114.588449
where:
bonds (distance) C4'-P energy: -20.378
bonds (distance) P-C4' energy: -28.063
flat angles C4'-P-C4' energy: -21.682
flat angles P-C4'-P energy: -17.825
tors. eta vs tors. theta energy: -26.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -320.223315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.223315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.223315 (E_RNA)
where:
Base-Base interactions energy: -214.736
where: short stacking energy: -92.958
Base-Backbone interact. energy: -0.548
local terms energy: -104.939479
where:
bonds (distance) C4'-P energy: -22.433
bonds (distance) P-C4' energy: -23.991
flat angles C4'-P-C4' energy: -28.613
flat angles P-C4'-P energy: -19.557
tors. eta vs tors. theta energy: -10.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -241.264702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.264702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.264702 (E_RNA)
where:
Base-Base interactions energy: -164.456
where: short stacking energy: -71.866
Base-Backbone interact. energy: -0.734
local terms energy: -76.074232
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -21.391
flat angles C4'-P-C4' energy: -18.728
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -11.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -205.917107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.917107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.917107 (E_RNA)
where:
Base-Base interactions energy: -123.089
where: short stacking energy: -71.446
Base-Backbone interact. energy: -0.426
local terms energy: -82.401830
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -22.082
flat angles C4'-P-C4' energy: -25.957
flat angles P-C4'-P energy: -0.163
tors. eta vs tors. theta energy: -16.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -536.541714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.541714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.541714 (E_RNA)
where:
Base-Base interactions energy: -383.843
where: short stacking energy: -147.255
Base-Backbone interact. energy: -0.354
local terms energy: -152.344782
where:
bonds (distance) C4'-P energy: -29.982
bonds (distance) P-C4' energy: -23.596
flat angles C4'-P-C4' energy: -29.422
flat angles P-C4'-P energy: -25.378
tors. eta vs tors. theta energy: -43.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -481.138993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.138993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.138993 (E_RNA)
where:
Base-Base interactions energy: -336.318
where: short stacking energy: -149.825
Base-Backbone interact. energy: -0.630
local terms energy: -144.190875
where:
bonds (distance) C4'-P energy: -23.484
bonds (distance) P-C4' energy: -29.043
flat angles C4'-P-C4' energy: -32.611
flat angles P-C4'-P energy: -20.200
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: 3, replica: 6
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -488.284173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.284173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.284173 (E_RNA)
where:
Base-Base interactions energy: -338.642
where: short stacking energy: -152.425
Base-Backbone interact. energy: -0.217
local terms energy: -149.424897
where:
bonds (distance) C4'-P energy: -21.815
bonds (distance) P-C4' energy: -30.332
flat angles C4'-P-C4' energy: -28.156
flat angles P-C4'-P energy: -24.685
tors. eta vs tors. theta energy: -44.438
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: 4, replica: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -466.908512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.908512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.908512 (E_RNA)
where:
Base-Base interactions energy: -312.359
where: short stacking energy: -135.192
Base-Backbone interact. energy: -0.457
local terms energy: -154.092389
where:
bonds (distance) C4'-P energy: -24.381
bonds (distance) P-C4' energy: -28.623
flat angles C4'-P-C4' energy: -30.020
flat angles P-C4'-P energy: -26.564
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: 5, replica: 2
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -420.891738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.891738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.891738 (E_RNA)
where:
Base-Base interactions energy: -286.239
where: short stacking energy: -122.575
Base-Backbone interact. energy: -0.845
local terms energy: -133.808231
where:
bonds (distance) C4'-P energy: -20.181
bonds (distance) P-C4' energy: -28.450
flat angles C4'-P-C4' energy: -30.730
flat angles P-C4'-P energy: -24.514
tors. eta vs tors. theta energy: -29.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -431.282982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.282982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.282982 (E_RNA)
where:
Base-Base interactions energy: -305.454
where: short stacking energy: -122.817
Base-Backbone interact. energy: -0.266
local terms energy: -125.562980
where:
bonds (distance) C4'-P energy: -24.370
bonds (distance) P-C4' energy: -24.412
flat angles C4'-P-C4' energy: -30.600
flat angles P-C4'-P energy: -14.329
tors. eta vs tors. theta energy: -31.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -334.989037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.989037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.989037 (E_RNA)
where:
Base-Base interactions energy: -231.762
where: short stacking energy: -102.340
Base-Backbone interact. energy: -1.232
local terms energy: -101.994827
where:
bonds (distance) C4'-P energy: -25.046
bonds (distance) P-C4' energy: -26.208
flat angles C4'-P-C4' energy: -22.479
flat angles P-C4'-P energy: -11.102
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: 8, replica: 9
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -351.758855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.758855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.758855 (E_RNA)
where:
Base-Base interactions energy: -243.056
where: short stacking energy: -100.481
Base-Backbone interact. energy: -0.917
local terms energy: -107.786014
where:
bonds (distance) C4'-P energy: -18.463
bonds (distance) P-C4' energy: -24.398
flat angles C4'-P-C4' energy: -26.435
flat angles P-C4'-P energy: -19.407
tors. eta vs tors. theta energy: -19.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -212.036743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.036743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.036743 (E_RNA)
where:
Base-Base interactions energy: -108.434
where: short stacking energy: -54.324
Base-Backbone interact. energy: -1.437
local terms energy: -102.165208
where:
bonds (distance) C4'-P energy: -24.811
bonds (distance) P-C4' energy: -25.016
flat angles C4'-P-C4' energy: -27.493
flat angles P-C4'-P energy: -12.915
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: 10, replica: 10
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -205.744089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.744089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.744089 (E_RNA)
where:
Base-Base interactions energy: -115.439
where: short stacking energy: -65.334
Base-Backbone interact. energy: 0.996
local terms energy: -91.301227
where:
bonds (distance) C4'-P energy: -22.769
bonds (distance) P-C4' energy: -31.073
flat angles C4'-P-C4' energy: -19.754
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -8.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -538.593393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.593393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.593393 (E_RNA)
where:
Base-Base interactions energy: -386.382
where: short stacking energy: -157.978
Base-Backbone interact. energy: -0.025
local terms energy: -152.186295
where:
bonds (distance) C4'-P energy: -27.523
bonds (distance) P-C4' energy: -29.866
flat angles C4'-P-C4' energy: -27.603
flat angles P-C4'-P energy: -23.224
tors. eta vs tors. theta energy: -43.971
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: 8
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -482.207482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.207482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.207482 (E_RNA)
where:
Base-Base interactions energy: -334.977
where: short stacking energy: -146.467
Base-Backbone interact. energy: -2.676
local terms energy: -144.554822
where:
bonds (distance) C4'-P energy: -24.097
bonds (distance) P-C4' energy: -29.236
flat angles C4'-P-C4' energy: -31.488
flat angles P-C4'-P energy: -23.567
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: 3, replica: 6
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -495.402322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.402322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.402322 (E_RNA)
where:
Base-Base interactions energy: -343.367
where: short stacking energy: -145.681
Base-Backbone interact. energy: -0.495
local terms energy: -151.539808
where:
bonds (distance) C4'-P energy: -26.415
bonds (distance) P-C4' energy: -29.950
flat angles C4'-P-C4' energy: -34.715
flat angles P-C4'-P energy: -18.585
tors. eta vs tors. theta energy: -41.875
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: 2
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -450.528108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.528108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.528108 (E_RNA)
where:
Base-Base interactions energy: -311.753
where: short stacking energy: -140.304
Base-Backbone interact. energy: 2.658
local terms energy: -141.432689
where:
bonds (distance) C4'-P energy: -27.117
bonds (distance) P-C4' energy: -31.611
flat angles C4'-P-C4' energy: -25.645
flat angles P-C4'-P energy: -18.615
tors. eta vs tors. theta energy: -38.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -451.356663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.356663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.356663 (E_RNA)
where:
Base-Base interactions energy: -309.734
where: short stacking energy: -139.151
Base-Backbone interact. energy: -0.453
local terms energy: -141.169676
where:
bonds (distance) C4'-P energy: -26.103
bonds (distance) P-C4' energy: -27.406
flat angles C4'-P-C4' energy: -29.221
flat angles P-C4'-P energy: -17.258
tors. eta vs tors. theta energy: -41.182
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: 6, replica: 1
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -415.055041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.055041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.055041 (E_RNA)
where:
Base-Base interactions energy: -300.078
where: short stacking energy: -120.693
Base-Backbone interact. energy: -0.819
local terms energy: -114.158097
where:
bonds (distance) C4'-P energy: -27.758
bonds (distance) P-C4' energy: -21.160
flat angles C4'-P-C4' energy: -21.001
flat angles P-C4'-P energy: -14.371
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: 7, replica: 4
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -339.805560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.805560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.805560 (E_RNA)
where:
Base-Base interactions energy: -226.257
where: short stacking energy: -97.257
Base-Backbone interact. energy: -1.126
local terms energy: -112.422144
where:
bonds (distance) C4'-P energy: -24.134
bonds (distance) P-C4' energy: -26.632
flat angles C4'-P-C4' energy: -26.125
flat angles P-C4'-P energy: -16.659
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: 9
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -354.468287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.468287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.468287 (E_RNA)
where:
Base-Base interactions energy: -231.663
where: short stacking energy: -87.104
Base-Backbone interact. energy: 0.182
local terms energy: -122.987147
where:
bonds (distance) C4'-P energy: -27.016
bonds (distance) P-C4' energy: -27.494
flat angles C4'-P-C4' energy: -27.524
flat angles P-C4'-P energy: -17.824
tors. eta vs tors. theta energy: -23.129
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: 5
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -221.070151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.070151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.070151 (E_RNA)
where:
Base-Base interactions energy: -122.839
where: short stacking energy: -66.038
Base-Backbone interact. energy: -0.176
local terms energy: -98.055043
where:
bonds (distance) C4'-P energy: -25.654
bonds (distance) P-C4' energy: -27.012
flat angles C4'-P-C4' energy: -23.743
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -6.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -214.361574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.361574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.361574 (E_RNA)
where:
Base-Base interactions energy: -126.833
where: short stacking energy: -58.929
Base-Backbone interact. energy: 0.615
local terms energy: -88.143098
where:
bonds (distance) C4'-P energy: -20.242
bonds (distance) P-C4' energy: -24.671
flat angles C4'-P-C4' energy: -21.204
flat angles P-C4'-P energy: -20.295
tors. eta vs tors. theta energy: -1.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -531.975203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.975203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.975203 (E_RNA)
where:
Base-Base interactions energy: -376.537
where: short stacking energy: -149.067
Base-Backbone interact. energy: -0.408
local terms energy: -155.030037
where:
bonds (distance) C4'-P energy: -22.791
bonds (distance) P-C4' energy: -30.142
flat angles C4'-P-C4' energy: -29.213
flat angles P-C4'-P energy: -26.360
tors. eta vs tors. theta energy: -46.525
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: 136
Temperature: 0.950000
Total energy: -477.918234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.918234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.918234 (E_RNA)
where:
Base-Base interactions energy: -340.127
where: short stacking energy: -135.930
Base-Backbone interact. energy: -1.533
local terms energy: -136.258138
where:
bonds (distance) C4'-P energy: -24.431
bonds (distance) P-C4' energy: -29.319
flat angles C4'-P-C4' energy: -31.813
flat angles P-C4'-P energy: -15.244
tors. eta vs tors. theta energy: -35.451
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: 6
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -494.976371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.976371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.976371 (E_RNA)
where:
Base-Base interactions energy: -348.541
where: short stacking energy: -141.695
Base-Backbone interact. energy: -0.775
local terms energy: -145.660834
where:
bonds (distance) C4'-P energy: -23.691
bonds (distance) P-C4' energy: -28.707
flat angles C4'-P-C4' energy: -28.076
flat angles P-C4'-P energy: -25.858
tors. eta vs tors. theta energy: -39.329
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: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -455.893154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.893154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.893154 (E_RNA)
where:
Base-Base interactions energy: -308.365
where: short stacking energy: -137.054
Base-Backbone interact. energy: -0.253
local terms energy: -147.275437
where:
bonds (distance) C4'-P energy: -28.942
bonds (distance) P-C4' energy: -26.252
flat angles C4'-P-C4' energy: -30.898
flat angles P-C4'-P energy: -19.018
tors. eta vs tors. theta energy: -42.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -461.503661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.503661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.503661 (E_RNA)
where:
Base-Base interactions energy: -316.141
where: short stacking energy: -140.882
Base-Backbone interact. energy: -0.273
local terms energy: -145.089693
where:
bonds (distance) C4'-P energy: -22.654
bonds (distance) P-C4' energy: -29.934
flat angles C4'-P-C4' energy: -29.856
flat angles P-C4'-P energy: -19.975
tors. eta vs tors. theta energy: -42.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -404.532063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.532063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.532063 (E_RNA)
where:
Base-Base interactions energy: -273.301
where: short stacking energy: -111.764
Base-Backbone interact. energy: -0.159
local terms energy: -131.071690
where:
bonds (distance) C4'-P energy: -25.793
bonds (distance) P-C4' energy: -23.587
flat angles C4'-P-C4' energy: -28.586
flat angles P-C4'-P energy: -18.727
tors. eta vs tors. theta energy: -34.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -401.138563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.138563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.138563 (E_RNA)
where:
Base-Base interactions energy: -266.052
where: short stacking energy: -107.982
Base-Backbone interact. energy: 0.597
local terms energy: -135.683303
where:
bonds (distance) C4'-P energy: -26.780
bonds (distance) P-C4' energy: -28.660
flat angles C4'-P-C4' energy: -27.667
flat angles P-C4'-P energy: -21.687
tors. eta vs tors. theta energy: -30.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -327.613777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.613777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.613777 (E_RNA)
where:
Base-Base interactions energy: -218.015
where: short stacking energy: -93.333
Base-Backbone interact. energy: 1.029
local terms energy: -110.627066
where:
bonds (distance) C4'-P energy: -28.433
bonds (distance) P-C4' energy: -29.896
flat angles C4'-P-C4' energy: -19.573
flat angles P-C4'-P energy: -15.781
tors. eta vs tors. theta energy: -16.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -233.095725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.095725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.095725 (E_RNA)
where:
Base-Base interactions energy: -143.689
where: short stacking energy: -71.584
Base-Backbone interact. energy: 0.695
local terms energy: -90.101635
where:
bonds (distance) C4'-P energy: -23.405
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -23.901
flat angles P-C4'-P energy: -16.290
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: 10, replica: 5
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -188.993946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.993946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.993946 (E_RNA)
where:
Base-Base interactions energy: -105.235
where: short stacking energy: -65.285
Base-Backbone interact. energy: -0.362
local terms energy: -83.397156
where:
bonds (distance) C4'-P energy: -20.040
bonds (distance) P-C4' energy: -23.080
flat angles C4'-P-C4' energy: -19.840
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -8.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -529.200816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.200816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.200816 (E_RNA)
where:
Base-Base interactions energy: -364.792
where: short stacking energy: -155.415
Base-Backbone interact. energy: -0.662
local terms energy: -163.746130
where:
bonds (distance) C4'-P energy: -30.401
bonds (distance) P-C4' energy: -31.641
flat angles C4'-P-C4' energy: -33.354
flat angles P-C4'-P energy: -23.462
tors. eta vs tors. theta energy: -44.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -496.103692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.103692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.103692 (E_RNA)
where:
Base-Base interactions energy: -343.411
where: short stacking energy: -142.262
Base-Backbone interact. energy: -0.448
local terms energy: -152.244093
where:
bonds (distance) C4'-P energy: -25.507
bonds (distance) P-C4' energy: -32.188
flat angles C4'-P-C4' energy: -33.671
flat angles P-C4'-P energy: -20.630
tors. eta vs tors. theta energy: -40.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -460.915877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.915877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.915877 (E_RNA)
where:
Base-Base interactions energy: -325.482
where: short stacking energy: -132.722
Base-Backbone interact. energy: 1.227
local terms energy: -136.661552
where:
bonds (distance) C4'-P energy: -22.118
bonds (distance) P-C4' energy: -27.628
flat angles C4'-P-C4' energy: -31.764
flat angles P-C4'-P energy: -20.643
tors. eta vs tors. theta energy: -34.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -447.800617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.800617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.800617 (E_RNA)
where:
Base-Base interactions energy: -307.670
where: short stacking energy: -143.916
Base-Backbone interact. energy: -0.125
local terms energy: -140.005550
where:
bonds (distance) C4'-P energy: -25.200
bonds (distance) P-C4' energy: -22.436
flat angles C4'-P-C4' energy: -31.015
flat angles P-C4'-P energy: -21.939
tors. eta vs tors. theta energy: -39.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -456.561589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.561589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.561589 (E_RNA)
where:
Base-Base interactions energy: -307.223
where: short stacking energy: -135.366
Base-Backbone interact. energy: -0.320
local terms energy: -149.019356
where:
bonds (distance) C4'-P energy: -31.708
bonds (distance) P-C4' energy: -28.693
flat angles C4'-P-C4' energy: -28.017
flat angles P-C4'-P energy: -22.329
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: 6, replica: 9
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -406.681378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.681378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.681378 (E_RNA)
where:
Base-Base interactions energy: -281.769
where: short stacking energy: -116.737
Base-Backbone interact. energy: -0.089
local terms energy: -124.823057
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -18.993
flat angles C4'-P-C4' energy: -28.996
flat angles P-C4'-P energy: -22.014
tors. eta vs tors. theta energy: -35.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -379.872769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.872769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.872769 (E_RNA)
where:
Base-Base interactions energy: -262.308
where: short stacking energy: -100.306
Base-Backbone interact. energy: -0.090
local terms energy: -117.474425
where:
bonds (distance) C4'-P energy: -25.471
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -29.762
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -29.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -335.147193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.147193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.147193 (E_RNA)
where:
Base-Base interactions energy: -227.401
where: short stacking energy: -93.623
Base-Backbone interact. energy: 0.322
local terms energy: -108.068374
where:
bonds (distance) C4'-P energy: -21.833
bonds (distance) P-C4' energy: -25.108
flat angles C4'-P-C4' energy: -23.102
flat angles P-C4'-P energy: -18.109
tors. eta vs tors. theta energy: -19.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -251.618217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.618217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.618217 (E_RNA)
where:
Base-Base interactions energy: -150.122
where: short stacking energy: -60.412
Base-Backbone interact. energy: 3.256
local terms energy: -104.752309
where:
bonds (distance) C4'-P energy: -23.317
bonds (distance) P-C4' energy: -31.909
flat angles C4'-P-C4' energy: -22.494
flat angles P-C4'-P energy: -16.484
tors. eta vs tors. theta energy: -10.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -214.641280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.641280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.641280 (E_RNA)
where:
Base-Base interactions energy: -109.549
where: short stacking energy: -62.197
Base-Backbone interact. energy: -0.175
local terms energy: -104.917410
where:
bonds (distance) C4'-P energy: -26.418
bonds (distance) P-C4' energy: -28.964
flat angles C4'-P-C4' energy: -24.959
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -13.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -536.215392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.215392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.215392 (E_RNA)
where:
Base-Base interactions energy: -376.409
where: short stacking energy: -160.620
Base-Backbone interact. energy: -0.135
local terms energy: -159.671825
where:
bonds (distance) C4'-P energy: -27.911
bonds (distance) P-C4' energy: -25.235
flat angles C4'-P-C4' energy: -32.977
flat angles P-C4'-P energy: -26.265
tors. eta vs tors. theta energy: -47.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -499.398639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.398639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.398639 (E_RNA)
where:
Base-Base interactions energy: -353.796
where: short stacking energy: -144.825
Base-Backbone interact. energy: 0.447
local terms energy: -146.049408
where:
bonds (distance) C4'-P energy: -25.490
bonds (distance) P-C4' energy: -27.494
flat angles C4'-P-C4' energy: -31.761
flat angles P-C4'-P energy: -22.802
tors. eta vs tors. theta energy: -38.503
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: 3, replica: 8
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -470.542742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.542742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.542742 (E_RNA)
where:
Base-Base interactions energy: -335.179
where: short stacking energy: -145.829
Base-Backbone interact. energy: 1.291
local terms energy: -136.655119
where:
bonds (distance) C4'-P energy: -25.348
bonds (distance) P-C4' energy: -28.071
flat angles C4'-P-C4' energy: -27.928
flat angles P-C4'-P energy: -20.115
tors. eta vs tors. theta energy: -35.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -449.619948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.619948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.619948 (E_RNA)
where:
Base-Base interactions energy: -311.115
where: short stacking energy: -141.323
Base-Backbone interact. energy: -1.302
local terms energy: -137.203366
where:
bonds (distance) C4'-P energy: -23.126
bonds (distance) P-C4' energy: -26.627
flat angles C4'-P-C4' energy: -29.537
flat angles P-C4'-P energy: -20.084
tors. eta vs tors. theta energy: -37.829
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: 9
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -439.777477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.777477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.777477 (E_RNA)
where:
Base-Base interactions energy: -294.765
where: short stacking energy: -125.465
Base-Backbone interact. energy: -0.065
local terms energy: -144.947407
where:
bonds (distance) C4'-P energy: -27.356
bonds (distance) P-C4' energy: -27.170
flat angles C4'-P-C4' energy: -28.095
flat angles P-C4'-P energy: -25.073
tors. eta vs tors. theta energy: -37.253
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: 3
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -447.973182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.973182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.973182 (E_RNA)
where:
Base-Base interactions energy: -309.691
where: short stacking energy: -138.773
Base-Backbone interact. energy: -0.001
local terms energy: -138.281571
where:
bonds (distance) C4'-P energy: -27.854
bonds (distance) P-C4' energy: -19.312
flat angles C4'-P-C4' energy: -29.696
flat angles P-C4'-P energy: -17.270
tors. eta vs tors. theta energy: -44.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -370.271981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.271981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.271981 (E_RNA)
where:
Base-Base interactions energy: -249.696
where: short stacking energy: -106.988
Base-Backbone interact. energy: -0.094
local terms energy: -120.481280
where:
bonds (distance) C4'-P energy: -22.400
bonds (distance) P-C4' energy: -24.726
flat angles C4'-P-C4' energy: -27.492
flat angles P-C4'-P energy: -18.833
tors. eta vs tors. theta energy: -27.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -337.944993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.944993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.944993 (E_RNA)
where:
Base-Base interactions energy: -220.351
where: short stacking energy: -98.664
Base-Backbone interact. energy: -0.224
local terms energy: -117.370097
where:
bonds (distance) C4'-P energy: -22.644
bonds (distance) P-C4' energy: -26.395
flat angles C4'-P-C4' energy: -27.602
flat angles P-C4'-P energy: -18.453
tors. eta vs tors. theta energy: -22.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -213.393021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.393021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.393021 (E_RNA)
where:
Base-Base interactions energy: -122.821
where: short stacking energy: -73.138
Base-Backbone interact. energy: -1.209
local terms energy: -89.362778
where:
bonds (distance) C4'-P energy: -21.976
bonds (distance) P-C4' energy: -20.719
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -22.125
tors. eta vs tors. theta energy: -7.710
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: 10
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -217.378789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.378789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.378789 (E_RNA)
where:
Base-Base interactions energy: -119.339
where: short stacking energy: -70.070
Base-Backbone interact. energy: 1.964
local terms energy: -100.003318
where:
bonds (distance) C4'-P energy: -26.144
bonds (distance) P-C4' energy: -23.495
flat angles C4'-P-C4' energy: -27.100
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -13.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -533.272993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.272993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.272993 (E_RNA)
where:
Base-Base interactions energy: -383.662
where: short stacking energy: -163.072
Base-Backbone interact. energy: -0.295
local terms energy: -149.316080
where:
bonds (distance) C4'-P energy: -29.163
bonds (distance) P-C4' energy: -23.746
flat angles C4'-P-C4' energy: -34.196
flat angles P-C4'-P energy: -17.249
tors. eta vs tors. theta energy: -44.961
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: 6
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -492.466155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.466155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.466155 (E_RNA)
where:
Base-Base interactions energy: -354.247
where: short stacking energy: -139.924
Base-Backbone interact. energy: -0.019
local terms energy: -138.200175
where:
bonds (distance) C4'-P energy: -31.385
bonds (distance) P-C4' energy: -23.417
flat angles C4'-P-C4' energy: -26.609
flat angles P-C4'-P energy: -21.423
tors. eta vs tors. theta energy: -35.367
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: 3, replica: 8
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -457.318059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.318059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.318059 (E_RNA)
where:
Base-Base interactions energy: -319.727
where: short stacking energy: -137.852
Base-Backbone interact. energy: -0.319
local terms energy: -137.271567
where:
bonds (distance) C4'-P energy: -29.232
bonds (distance) P-C4' energy: -25.607
flat angles C4'-P-C4' energy: -27.594
flat angles P-C4'-P energy: -17.760
tors. eta vs tors. theta energy: -37.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -450.180594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.180594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.180594 (E_RNA)
where:
Base-Base interactions energy: -312.678
where: short stacking energy: -137.918
Base-Backbone interact. energy: -0.002
local terms energy: -137.500307
where:
bonds (distance) C4'-P energy: -21.259
bonds (distance) P-C4' energy: -30.887
flat angles C4'-P-C4' energy: -22.665
flat angles P-C4'-P energy: -22.773
tors. eta vs tors. theta energy: -39.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -437.640520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.640520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.640520 (E_RNA)
where:
Base-Base interactions energy: -306.451
where: short stacking energy: -129.130
Base-Backbone interact. energy: -0.385
local terms energy: -130.804388
where:
bonds (distance) C4'-P energy: -19.155
bonds (distance) P-C4' energy: -29.967
flat angles C4'-P-C4' energy: -27.151
flat angles P-C4'-P energy: -20.766
tors. eta vs tors. theta energy: -33.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -398.765792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.765792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.765792 (E_RNA)
where:
Base-Base interactions energy: -268.846
where: short stacking energy: -123.504
Base-Backbone interact. energy: -1.155
local terms energy: -128.764570
where:
bonds (distance) C4'-P energy: -24.614
bonds (distance) P-C4' energy: -24.478
flat angles C4'-P-C4' energy: -26.650
flat angles P-C4'-P energy: -18.361
tors. eta vs tors. theta energy: -34.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -420.289577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.289577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.289577 (E_RNA)
where:
Base-Base interactions energy: -293.610
where: short stacking energy: -130.611
Base-Backbone interact. energy: 1.468
local terms energy: -128.146959
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -23.222
flat angles C4'-P-C4' energy: -25.797
flat angles P-C4'-P energy: -19.305
tors. eta vs tors. theta energy: -42.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -344.808692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.808692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.808692 (E_RNA)
where:
Base-Base interactions energy: -221.863
where: short stacking energy: -95.500
Base-Backbone interact. energy: -0.124
local terms energy: -122.821581
where:
bonds (distance) C4'-P energy: -22.909
bonds (distance) P-C4' energy: -28.068
flat angles C4'-P-C4' energy: -27.477
flat angles P-C4'-P energy: -16.717
tors. eta vs tors. theta energy: -27.650
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: 5
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -201.334162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.334162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.334162 (E_RNA)
where:
Base-Base interactions energy: -111.101
where: short stacking energy: -62.963
Base-Backbone interact. energy: -1.311
local terms energy: -88.922289
where:
bonds (distance) C4'-P energy: -22.768
bonds (distance) P-C4' energy: -21.515
flat angles C4'-P-C4' energy: -24.261
flat angles P-C4'-P energy: -14.395
tors. eta vs tors. theta energy: -5.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -222.625371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.625371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.625371 (E_RNA)
where:
Base-Base interactions energy: -124.439
where: short stacking energy: -56.465
Base-Backbone interact. energy: 0.116
local terms energy: -98.301935
where:
bonds (distance) C4'-P energy: -22.182
bonds (distance) P-C4' energy: -32.381
flat angles C4'-P-C4' energy: -25.714
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -6.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -537.510229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.510229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.510229 (E_RNA)
where:
Base-Base interactions energy: -374.944
where: short stacking energy: -154.023
Base-Backbone interact. energy: -0.053
local terms energy: -162.512873
where:
bonds (distance) C4'-P energy: -26.669
bonds (distance) P-C4' energy: -32.368
flat angles C4'-P-C4' energy: -32.005
flat angles P-C4'-P energy: -24.501
tors. eta vs tors. theta energy: -46.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -496.067742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.067742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.067742 (E_RNA)
where:
Base-Base interactions energy: -348.643
where: short stacking energy: -146.305
Base-Backbone interact. energy: -0.060
local terms energy: -147.364266
where:
bonds (distance) C4'-P energy: -24.518
bonds (distance) P-C4' energy: -32.887
flat angles C4'-P-C4' energy: -31.455
flat angles P-C4'-P energy: -20.130
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: 3, replica: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -475.730907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.730907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.730907 (E_RNA)
where:
Base-Base interactions energy: -336.063
where: short stacking energy: -148.229
Base-Backbone interact. energy: 1.519
local terms energy: -141.185978
where:
bonds (distance) C4'-P energy: -25.113
bonds (distance) P-C4' energy: -25.774
flat angles C4'-P-C4' energy: -28.663
flat angles P-C4'-P energy: -20.148
tors. eta vs tors. theta energy: -41.488
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: 8
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -465.257192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.257192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.257192 (E_RNA)
where:
Base-Base interactions energy: -329.888
where: short stacking energy: -136.985
Base-Backbone interact. energy: -1.338
local terms energy: -134.030826
where:
bonds (distance) C4'-P energy: -24.413
bonds (distance) P-C4' energy: -31.211
flat angles C4'-P-C4' energy: -24.335
flat angles P-C4'-P energy: -18.011
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: 5, replica: 9
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -446.877707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.877707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.877707 (E_RNA)
where:
Base-Base interactions energy: -309.655
where: short stacking energy: -132.897
Base-Backbone interact. energy: -1.528
local terms energy: -135.694783
where:
bonds (distance) C4'-P energy: -21.021
bonds (distance) P-C4' energy: -27.685
flat angles C4'-P-C4' energy: -24.489
flat angles P-C4'-P energy: -22.938
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: 1
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -425.862341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.862341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.862341 (E_RNA)
where:
Base-Base interactions energy: -292.058
where: short stacking energy: -118.136
Base-Backbone interact. energy: 0.683
local terms energy: -134.487235
where:
bonds (distance) C4'-P energy: -27.115
bonds (distance) P-C4' energy: -25.233
flat angles C4'-P-C4' energy: -27.423
flat angles P-C4'-P energy: -20.920
tors. eta vs tors. theta energy: -33.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -423.570982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.570982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.570982 (E_RNA)
where:
Base-Base interactions energy: -278.145
where: short stacking energy: -129.520
Base-Backbone interact. energy: -0.139
local terms energy: -145.287502
where:
bonds (distance) C4'-P energy: -31.042
bonds (distance) P-C4' energy: -25.976
flat angles C4'-P-C4' energy: -25.647
flat angles P-C4'-P energy: -23.444
tors. eta vs tors. theta energy: -39.178
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: 4
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -328.440247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.440247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.440247 (E_RNA)
where:
Base-Base interactions energy: -210.176
where: short stacking energy: -96.680
Base-Backbone interact. energy: 0.520
local terms energy: -118.784834
where:
bonds (distance) C4'-P energy: -23.560
bonds (distance) P-C4' energy: -29.815
flat angles C4'-P-C4' energy: -28.293
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -26.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -198.050756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.050756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.050756 (E_RNA)
where:
Base-Base interactions energy: -113.951
where: short stacking energy: -61.946
Base-Backbone interact. energy: -0.123
local terms energy: -83.976378
where:
bonds (distance) C4'-P energy: -22.728
bonds (distance) P-C4' energy: -27.603
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -8.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -217.322721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.322721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.322721 (E_RNA)
where:
Base-Base interactions energy: -121.304
where: short stacking energy: -82.000
Base-Backbone interact. energy: -0.502
local terms energy: -95.516847
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -24.888
flat angles C4'-P-C4' energy: -26.129
flat angles P-C4'-P energy: -15.447
tors. eta vs tors. theta energy: -13.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -534.752518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.752518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.752518 (E_RNA)
where:
Base-Base interactions energy: -373.413
where: short stacking energy: -153.439
Base-Backbone interact. energy: -1.207
local terms energy: -160.132681
where:
bonds (distance) C4'-P energy: -25.484
bonds (distance) P-C4' energy: -32.119
flat angles C4'-P-C4' energy: -30.227
flat angles P-C4'-P energy: -25.486
tors. eta vs tors. theta energy: -46.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -491.936460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.936460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.936460 (E_RNA)
where:
Base-Base interactions energy: -341.277
where: short stacking energy: -140.695
Base-Backbone interact. energy: 0.817
local terms energy: -151.476598
where:
bonds (distance) C4'-P energy: -29.214
bonds (distance) P-C4' energy: -27.628
flat angles C4'-P-C4' energy: -33.480
flat angles P-C4'-P energy: -23.634
tors. eta vs tors. theta energy: -37.520
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: 2
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -471.543652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.543652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.543652 (E_RNA)
where:
Base-Base interactions energy: -319.891
where: short stacking energy: -149.861
Base-Backbone interact. energy: -1.576
local terms energy: -150.076162
where:
bonds (distance) C4'-P energy: -25.934
bonds (distance) P-C4' energy: -24.561
flat angles C4'-P-C4' energy: -29.460
flat angles P-C4'-P energy: -24.097
tors. eta vs tors. theta energy: -46.024
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: 141
Temperature: 1.050000
Total energy: -463.793722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.793722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.793722 (E_RNA)
where:
Base-Base interactions energy: -321.685
where: short stacking energy: -133.580
Base-Backbone interact. energy: -1.101
local terms energy: -141.008371
where:
bonds (distance) C4'-P energy: -31.949
bonds (distance) P-C4' energy: -26.837
flat angles C4'-P-C4' energy: -27.655
flat angles P-C4'-P energy: -19.827
tors. eta vs tors. theta energy: -34.740
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: 5, replica: 9
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -438.768865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.768865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.768865 (E_RNA)
where:
Base-Base interactions energy: -305.425
where: short stacking energy: -126.786
Base-Backbone interact. energy: 0.835
local terms energy: -134.179568
where:
bonds (distance) C4'-P energy: -17.752
bonds (distance) P-C4' energy: -29.891
flat angles C4'-P-C4' energy: -29.707
flat angles P-C4'-P energy: -24.788
tors. eta vs tors. theta energy: -32.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -441.517411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.517411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.517411 (E_RNA)
where:
Base-Base interactions energy: -298.903
where: short stacking energy: -124.921
Base-Backbone interact. energy: -0.231
local terms energy: -142.382962
where:
bonds (distance) C4'-P energy: -29.947
bonds (distance) P-C4' energy: -28.493
flat angles C4'-P-C4' energy: -25.820
flat angles P-C4'-P energy: -16.460
tors. eta vs tors. theta energy: -41.662
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: 1
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -402.206225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.206225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.206225 (E_RNA)
where:
Base-Base interactions energy: -271.816
where: short stacking energy: -119.976
Base-Backbone interact. energy: -0.252
local terms energy: -130.138397
where:
bonds (distance) C4'-P energy: -24.046
bonds (distance) P-C4' energy: -31.187
flat angles C4'-P-C4' energy: -22.225
flat angles P-C4'-P energy: -20.542
tors. eta vs tors. theta energy: -32.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -323.003338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.003338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.003338 (E_RNA)
where:
Base-Base interactions energy: -231.339
where: short stacking energy: -98.734
Base-Backbone interact. energy: -0.196
local terms energy: -91.468433
where:
bonds (distance) C4'-P energy: -21.985
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -24.138
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -20.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -205.072804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.072804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.072804 (E_RNA)
where:
Base-Base interactions energy: -125.547
where: short stacking energy: -64.721
Base-Backbone interact. energy: -0.104
local terms energy: -79.421555
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -24.543
flat angles C4'-P-C4' energy: -20.405
flat angles P-C4'-P energy: -8.597
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: 10, replica: 5
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -218.064416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.064416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.064416 (E_RNA)
where:
Base-Base interactions energy: -120.382
where: short stacking energy: -83.575
Base-Backbone interact. energy: -1.260
local terms energy: -96.422397
where:
bonds (distance) C4'-P energy: -25.376
bonds (distance) P-C4' energy: -28.138
flat angles C4'-P-C4' energy: -19.062
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -13.368
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: 1, replica: 7
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -536.137211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.137211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.137211 (E_RNA)
where:
Base-Base interactions energy: -383.478
where: short stacking energy: -163.004
Base-Backbone interact. energy: -0.016
local terms energy: -152.642981
where:
bonds (distance) C4'-P energy: -25.412
bonds (distance) P-C4' energy: -24.675
flat angles C4'-P-C4' energy: -34.292
flat angles P-C4'-P energy: -21.823
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: 6
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -506.772661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.772661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.772661 (E_RNA)
where:
Base-Base interactions energy: -350.770
where: short stacking energy: -157.510
Base-Backbone interact. energy: -0.621
local terms energy: -155.381271
where:
bonds (distance) C4'-P energy: -30.019
bonds (distance) P-C4' energy: -29.248
flat angles C4'-P-C4' energy: -30.179
flat angles P-C4'-P energy: -24.366
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: 3, replica: 2
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -468.174650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.174650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.174650 (E_RNA)
where:
Base-Base interactions energy: -323.646
where: short stacking energy: -145.839
Base-Backbone interact. energy: -0.517
local terms energy: -144.011527
where:
bonds (distance) C4'-P energy: -22.054
bonds (distance) P-C4' energy: -27.916
flat angles C4'-P-C4' energy: -29.254
flat angles P-C4'-P energy: -22.618
tors. eta vs tors. theta energy: -42.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -448.857571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.857571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.857571 (E_RNA)
where:
Base-Base interactions energy: -314.182
where: short stacking energy: -134.557
Base-Backbone interact. energy: -1.085
local terms energy: -133.590454
where:
bonds (distance) C4'-P energy: -24.058
bonds (distance) P-C4' energy: -29.610
flat angles C4'-P-C4' energy: -25.493
flat angles P-C4'-P energy: -21.696
tors. eta vs tors. theta energy: -32.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -442.616009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.616009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.616009 (E_RNA)
where:
Base-Base interactions energy: -305.303
where: short stacking energy: -127.229
Base-Backbone interact. energy: -0.465
local terms energy: -136.848310
where:
bonds (distance) C4'-P energy: -28.813
bonds (distance) P-C4' energy: -25.098
flat angles C4'-P-C4' energy: -27.497
flat angles P-C4'-P energy: -18.160
tors. eta vs tors. theta energy: -37.281
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: 6, replica: 9
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -446.060896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.060896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.060896 (E_RNA)
where:
Base-Base interactions energy: -316.753
where: short stacking energy: -125.204
Base-Backbone interact. energy: -0.201
local terms energy: -129.106731
where:
bonds (distance) C4'-P energy: -24.959
bonds (distance) P-C4' energy: -22.279
flat angles C4'-P-C4' energy: -25.584
flat angles P-C4'-P energy: -21.826
tors. eta vs tors. theta energy: -34.459
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: 1
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -372.978827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.978827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.978827 (E_RNA)
where:
Base-Base interactions energy: -241.191
where: short stacking energy: -118.286
Base-Backbone interact. energy: 3.384
local terms energy: -135.172512
where:
bonds (distance) C4'-P energy: -27.645
bonds (distance) P-C4' energy: -29.828
flat angles C4'-P-C4' energy: -29.338
flat angles P-C4'-P energy: -20.580
tors. eta vs tors. theta energy: -27.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -324.933539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.933539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.933539 (E_RNA)
where:
Base-Base interactions energy: -219.580
where: short stacking energy: -95.789
Base-Backbone interact. energy: -0.595
local terms energy: -104.758894
where:
bonds (distance) C4'-P energy: -19.438
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -29.259
flat angles P-C4'-P energy: -20.559
tors. eta vs tors. theta energy: -20.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -207.978265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.978265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.978265 (E_RNA)
where:
Base-Base interactions energy: -119.362
where: short stacking energy: -71.297
Base-Backbone interact. energy: 0.017
local terms energy: -88.633459
where:
bonds (distance) C4'-P energy: -24.197
bonds (distance) P-C4' energy: -24.241
flat angles C4'-P-C4' energy: -20.895
flat angles P-C4'-P energy: -18.374
tors. eta vs tors. theta energy: -0.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -196.479541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.479541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.479541 (E_RNA)
where:
Base-Base interactions energy: -114.466
where: short stacking energy: -53.964
Base-Backbone interact. energy: -0.326
local terms energy: -81.687899
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -27.345
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -18.111
tors. eta vs tors. theta energy: -2.386
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: 1, replica: 7
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -533.615384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.615384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.615384 (E_RNA)
where:
Base-Base interactions energy: -383.643
where: short stacking energy: -160.480
Base-Backbone interact. energy: -0.171
local terms energy: -149.801860
where:
bonds (distance) C4'-P energy: -19.798
bonds (distance) P-C4' energy: -30.367
flat angles C4'-P-C4' energy: -32.745
flat angles P-C4'-P energy: -19.105
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: 6
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -494.426788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.426788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.426788 (E_RNA)
where:
Base-Base interactions energy: -356.621
where: short stacking energy: -151.124
Base-Backbone interact. energy: 0.543
local terms energy: -138.348418
where:
bonds (distance) C4'-P energy: -25.581
bonds (distance) P-C4' energy: -23.297
flat angles C4'-P-C4' energy: -28.614
flat angles P-C4'-P energy: -23.105
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: 3, replica: 2
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -488.070321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.070321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.070321 (E_RNA)
where:
Base-Base interactions energy: -335.191
where: short stacking energy: -149.979
Base-Backbone interact. energy: -0.767
local terms energy: -152.112261
where:
bonds (distance) C4'-P energy: -27.580
bonds (distance) P-C4' energy: -26.823
flat angles C4'-P-C4' energy: -28.618
flat angles P-C4'-P energy: -21.645
tors. eta vs tors. theta energy: -47.446
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: 8
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -448.110622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.110622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.110622 (E_RNA)
where:
Base-Base interactions energy: -312.459
where: short stacking energy: -129.088
Base-Backbone interact. energy: -0.855
local terms energy: -134.796964
where:
bonds (distance) C4'-P energy: -29.153
bonds (distance) P-C4' energy: -28.595
flat angles C4'-P-C4' energy: -30.321
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -32.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -429.332308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.332308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.332308 (E_RNA)
where:
Base-Base interactions energy: -285.181
where: short stacking energy: -125.415
Base-Backbone interact. energy: -0.045
local terms energy: -144.105881
where:
bonds (distance) C4'-P energy: -28.534
bonds (distance) P-C4' energy: -27.893
flat angles C4'-P-C4' energy: -26.911
flat angles P-C4'-P energy: -20.272
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: 6, replica: 1
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -385.348196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.348196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.348196 (E_RNA)
where:
Base-Base interactions energy: -263.630
where: short stacking energy: -120.948
Base-Backbone interact. energy: 2.585
local terms energy: -124.303510
where:
bonds (distance) C4'-P energy: -22.505
bonds (distance) P-C4' energy: -24.914
flat angles C4'-P-C4' energy: -22.501
flat angles P-C4'-P energy: -20.218
tors. eta vs tors. theta energy: -34.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -411.326839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.326839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.326839 (E_RNA)
where:
Base-Base interactions energy: -275.706
where: short stacking energy: -106.717
Base-Backbone interact. energy: -0.311
local terms energy: -135.309897
where:
bonds (distance) C4'-P energy: -22.076
bonds (distance) P-C4' energy: -23.539
flat angles C4'-P-C4' energy: -30.119
flat angles P-C4'-P energy: -22.816
tors. eta vs tors. theta energy: -36.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -345.286085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.286085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.286085 (E_RNA)
where:
Base-Base interactions energy: -240.816
where: short stacking energy: -94.516
Base-Backbone interact. energy: -0.389
local terms energy: -104.081809
where:
bonds (distance) C4'-P energy: -20.339
bonds (distance) P-C4' energy: -28.942
flat angles C4'-P-C4' energy: -31.020
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -13.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -205.718600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.718600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.718600 (E_RNA)
where:
Base-Base interactions energy: -113.444
where: short stacking energy: -55.361
Base-Backbone interact. energy: -0.442
local terms energy: -91.832540
where:
bonds (distance) C4'-P energy: -24.352
bonds (distance) P-C4' energy: -28.542
flat angles C4'-P-C4' energy: -24.741
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -5.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -210.122252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.122252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.122252 (E_RNA)
where:
Base-Base interactions energy: -122.441
where: short stacking energy: -56.918
Base-Backbone interact. energy: -0.720
local terms energy: -86.960853
where:
bonds (distance) C4'-P energy: -23.585
bonds (distance) P-C4' energy: -22.720
flat angles C4'-P-C4' energy: -23.805
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -6.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -504.265814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.265814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.265814 (E_RNA)
where:
Base-Base interactions energy: -352.835
where: short stacking energy: -151.266
Base-Backbone interact. energy: -0.398
local terms energy: -151.032900
where:
bonds (distance) C4'-P energy: -28.268
bonds (distance) P-C4' energy: -28.389
flat angles C4'-P-C4' energy: -30.290
flat angles P-C4'-P energy: -20.528
tors. eta vs tors. theta energy: -43.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -534.966158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.966158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.966158 (E_RNA)
where:
Base-Base interactions energy: -380.289
where: short stacking energy: -157.916
Base-Backbone interact. energy: -0.243
local terms energy: -154.433909
where:
bonds (distance) C4'-P energy: -24.273
bonds (distance) P-C4' energy: -26.920
flat angles C4'-P-C4' energy: -35.298
flat angles P-C4'-P energy: -20.319
tors. eta vs tors. theta energy: -47.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -451.626789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.626789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.626789 (E_RNA)
where:
Base-Base interactions energy: -314.738
where: short stacking energy: -134.344
Base-Backbone interact. energy: -0.315
local terms energy: -136.573817
where:
bonds (distance) C4'-P energy: -29.605
bonds (distance) P-C4' energy: -29.803
flat angles C4'-P-C4' energy: -24.672
flat angles P-C4'-P energy: -18.936
tors. eta vs tors. theta energy: -33.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -456.547494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.547494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.547494 (E_RNA)
where:
Base-Base interactions energy: -309.788
where: short stacking energy: -131.719
Base-Backbone interact. energy: -0.741
local terms energy: -146.018149
where:
bonds (distance) C4'-P energy: -26.894
bonds (distance) P-C4' energy: -29.009
flat angles C4'-P-C4' energy: -31.220
flat angles P-C4'-P energy: -18.371
tors. eta vs tors. theta energy: -40.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -427.240221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.240221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.240221 (E_RNA)
where:
Base-Base interactions energy: -309.406
where: short stacking energy: -134.774
Base-Backbone interact. energy: -0.180
local terms energy: -117.654765
where:
bonds (distance) C4'-P energy: -26.892
bonds (distance) P-C4' energy: -16.754
flat angles C4'-P-C4' energy: -28.119
flat angles P-C4'-P energy: -15.801
tors. eta vs tors. theta energy: -30.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -418.087574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.087574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.087574 (E_RNA)
where:
Base-Base interactions energy: -283.957
where: short stacking energy: -133.564
Base-Backbone interact. energy: -1.156
local terms energy: -132.974492
where:
bonds (distance) C4'-P energy: -24.459
bonds (distance) P-C4' energy: -22.921
flat angles C4'-P-C4' energy: -28.977
flat angles P-C4'-P energy: -17.312
tors. eta vs tors. theta energy: -39.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -388.888003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.888003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.888003 (E_RNA)
where:
Base-Base interactions energy: -268.002
where: short stacking energy: -99.916
Base-Backbone interact. energy: -1.205
local terms energy: -119.681366
where:
bonds (distance) C4'-P energy: -27.655
bonds (distance) P-C4' energy: -22.776
flat angles C4'-P-C4' energy: -28.251
flat angles P-C4'-P energy: -17.899
tors. eta vs tors. theta energy: -23.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -336.132861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.132861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.132861 (E_RNA)
where:
Base-Base interactions energy: -220.129
where: short stacking energy: -96.401
Base-Backbone interact. energy: -0.669
local terms energy: -115.334699
where:
bonds (distance) C4'-P energy: -26.119
bonds (distance) P-C4' energy: -29.172
flat angles C4'-P-C4' energy: -28.458
flat angles P-C4'-P energy: -17.447
tors. eta vs tors. theta energy: -14.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -229.453107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.453107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.453107 (E_RNA)
where:
Base-Base interactions energy: -124.751
where: short stacking energy: -65.271
Base-Backbone interact. energy: 0.369
local terms energy: -105.071293
where:
bonds (distance) C4'-P energy: -25.121
bonds (distance) P-C4' energy: -24.902
flat angles C4'-P-C4' energy: -26.883
flat angles P-C4'-P energy: -16.823
tors. eta vs tors. theta energy: -11.341
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: 10
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -228.494224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.494224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.494224 (E_RNA)
where:
Base-Base interactions energy: -122.848
where: short stacking energy: -67.984
Base-Backbone interact. energy: -0.930
local terms energy: -104.716715
where:
bonds (distance) C4'-P energy: -29.524
bonds (distance) P-C4' energy: -24.819
flat angles C4'-P-C4' energy: -25.736
flat angles P-C4'-P energy: -18.689
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: 1, replica: 6
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -504.265349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.265349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.265349 (E_RNA)
where:
Base-Base interactions energy: -350.253
where: short stacking energy: -150.533
Base-Backbone interact. energy: -0.017
local terms energy: -153.995939
where:
bonds (distance) C4'-P energy: -26.290
bonds (distance) P-C4' energy: -28.188
flat angles C4'-P-C4' energy: -31.463
flat angles P-C4'-P energy: -22.497
tors. eta vs tors. theta energy: -45.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -534.326076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.326076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.326076 (E_RNA)
where:
Base-Base interactions energy: -373.608
where: short stacking energy: -155.029
Base-Backbone interact. energy: -0.462
local terms energy: -160.255782
where:
bonds (distance) C4'-P energy: -31.857
bonds (distance) P-C4' energy: -27.260
flat angles C4'-P-C4' energy: -30.793
flat angles P-C4'-P energy: -23.515
tors. eta vs tors. theta energy: -46.830
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: 145
Temperature: 1.000000
Total energy: -450.637061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.637061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.637061 (E_RNA)
where:
Base-Base interactions energy: -311.594
where: short stacking energy: -134.324
Base-Backbone interact. energy: -0.683
local terms energy: -138.359510
where:
bonds (distance) C4'-P energy: -27.246
bonds (distance) P-C4' energy: -26.270
flat angles C4'-P-C4' energy: -29.489
flat angles P-C4'-P energy: -22.225
tors. eta vs tors. theta energy: -33.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -458.430331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.430331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.430331 (E_RNA)
where:
Base-Base interactions energy: -307.394
where: short stacking energy: -135.664
Base-Backbone interact. energy: -0.282
local terms energy: -150.754564
where:
bonds (distance) C4'-P energy: -25.921
bonds (distance) P-C4' energy: -32.014
flat angles C4'-P-C4' energy: -30.071
flat angles P-C4'-P energy: -19.140
tors. eta vs tors. theta energy: -43.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -396.575197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.575197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.575197 (E_RNA)
where:
Base-Base interactions energy: -279.605
where: short stacking energy: -131.179
Base-Backbone interact. energy: -0.037
local terms energy: -116.932902
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -26.785
flat angles C4'-P-C4' energy: -28.381
flat angles P-C4'-P energy: -17.372
tors. eta vs tors. theta energy: -30.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -410.948714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.948714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.948714 (E_RNA)
where:
Base-Base interactions energy: -279.567
where: short stacking energy: -117.371
Base-Backbone interact. energy: -1.601
local terms energy: -129.780896
where:
bonds (distance) C4'-P energy: -22.603
bonds (distance) P-C4' energy: -30.829
flat angles C4'-P-C4' energy: -29.741
flat angles P-C4'-P energy: -17.139
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: 7, replica: 9
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -424.014449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.014449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.014449 (E_RNA)
where:
Base-Base interactions energy: -298.014
where: short stacking energy: -125.968
Base-Backbone interact. energy: 1.670
local terms energy: -127.671183
where:
bonds (distance) C4'-P energy: -21.931
bonds (distance) P-C4' energy: -28.270
flat angles C4'-P-C4' energy: -26.230
flat angles P-C4'-P energy: -14.912
tors. eta vs tors. theta energy: -36.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -345.226548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.226548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.226548 (E_RNA)
where:
Base-Base interactions energy: -232.655
where: short stacking energy: -101.911
Base-Backbone interact. energy: -0.210
local terms energy: -112.361776
where:
bonds (distance) C4'-P energy: -19.235
bonds (distance) P-C4' energy: -20.113
flat angles C4'-P-C4' energy: -26.829
flat angles P-C4'-P energy: -22.718
tors. eta vs tors. theta energy: -23.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -213.834466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.834466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.834466 (E_RNA)
where:
Base-Base interactions energy: -109.666
where: short stacking energy: -54.482
Base-Backbone interact. energy: -0.258
local terms energy: -103.910385
where:
bonds (distance) C4'-P energy: -26.879
bonds (distance) P-C4' energy: -27.731
flat angles C4'-P-C4' energy: -24.321
flat angles P-C4'-P energy: -13.301
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: 10
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -202.021479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.021479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.021479 (E_RNA)
where:
Base-Base interactions energy: -96.813
where: short stacking energy: -52.783
Base-Backbone interact. energy: -0.120
local terms energy: -105.088112
where:
bonds (distance) C4'-P energy: -23.506
bonds (distance) P-C4' energy: -32.131
flat angles C4'-P-C4' energy: -21.912
flat angles P-C4'-P energy: -19.110
tors. eta vs tors. theta energy: -8.429
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: 1, replica: 7
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -526.843720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.843720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.843720 (E_RNA)
where:
Base-Base interactions energy: -380.142
where: short stacking energy: -154.829
Base-Backbone interact. energy: -0.192
local terms energy: -146.509792
where:
bonds (distance) C4'-P energy: -22.641
bonds (distance) P-C4' energy: -27.946
flat angles C4'-P-C4' energy: -30.084
flat angles P-C4'-P energy: -21.258
tors. eta vs tors. theta energy: -44.581
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: 6
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -502.564016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.564016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.564016 (E_RNA)
where:
Base-Base interactions energy: -348.376
where: short stacking energy: -147.067
Base-Backbone interact. energy: -0.404
local terms energy: -153.783789
where:
bonds (distance) C4'-P energy: -31.079
bonds (distance) P-C4' energy: -25.976
flat angles C4'-P-C4' energy: -31.990
flat angles P-C4'-P energy: -22.763
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: 3, replica: 2
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -495.427175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.427175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.427175 (E_RNA)
where:
Base-Base interactions energy: -334.474
where: short stacking energy: -159.545
Base-Backbone interact. energy: -0.078
local terms energy: -160.875312
where:
bonds (distance) C4'-P energy: -30.044
bonds (distance) P-C4' energy: -29.803
flat angles C4'-P-C4' energy: -32.312
flat angles P-C4'-P energy: -23.634
tors. eta vs tors. theta energy: -45.082
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: 8
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -459.542280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.542280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.542280 (E_RNA)
where:
Base-Base interactions energy: -321.202
where: short stacking energy: -138.637
Base-Backbone interact. energy: -0.532
local terms energy: -137.808762
where:
bonds (distance) C4'-P energy: -30.792
bonds (distance) P-C4' energy: -24.517
flat angles C4'-P-C4' energy: -28.055
flat angles P-C4'-P energy: -22.154
tors. eta vs tors. theta energy: -32.291
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: 3
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -438.963902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.963902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.963902 (E_RNA)
where:
Base-Base interactions energy: -298.106
where: short stacking energy: -133.597
Base-Backbone interact. energy: -0.415
local terms energy: -140.442232
where:
bonds (distance) C4'-P energy: -21.370
bonds (distance) P-C4' energy: -27.115
flat angles C4'-P-C4' energy: -30.465
flat angles P-C4'-P energy: -20.470
tors. eta vs tors. theta energy: -41.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -371.288489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.288489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.288489 (E_RNA)
where:
Base-Base interactions energy: -251.231
where: short stacking energy: -116.833
Base-Backbone interact. energy: -0.003
local terms energy: -120.054959
where:
bonds (distance) C4'-P energy: -24.280
bonds (distance) P-C4' energy: -30.776
flat angles C4'-P-C4' energy: -26.439
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -28.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -428.942237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.942237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.942237 (E_RNA)
where:
Base-Base interactions energy: -299.297
where: short stacking energy: -126.567
Base-Backbone interact. energy: -0.041
local terms energy: -129.604308
where:
bonds (distance) C4'-P energy: -22.000
bonds (distance) P-C4' energy: -27.678
flat angles C4'-P-C4' energy: -30.398
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -37.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -342.665566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.665566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.665566 (E_RNA)
where:
Base-Base interactions energy: -242.572
where: short stacking energy: -87.638
Base-Backbone interact. energy: -0.804
local terms energy: -99.289626
where:
bonds (distance) C4'-P energy: -23.593
bonds (distance) P-C4' energy: -22.847
flat angles C4'-P-C4' energy: -25.600
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -17.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -215.520103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.520103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.520103 (E_RNA)
where:
Base-Base interactions energy: -118.399
where: short stacking energy: -59.390
Base-Backbone interact. energy: 0.217
local terms energy: -97.338163
where:
bonds (distance) C4'-P energy: -24.000
bonds (distance) P-C4' energy: -24.614
flat angles C4'-P-C4' energy: -28.454
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -8.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -184.395555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.395555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.395555 (E_RNA)
where:
Base-Base interactions energy: -81.686
where: short stacking energy: -46.136
Base-Backbone interact. energy: 0.242
local terms energy: -102.950576
where:
bonds (distance) C4'-P energy: -25.664
bonds (distance) P-C4' energy: -28.794
flat angles C4'-P-C4' energy: -26.613
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -10.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -537.180875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.180875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.180875 (E_RNA)
where:
Base-Base interactions energy: -383.740
where: short stacking energy: -162.745
Base-Backbone interact. energy: -0.010
local terms energy: -153.430691
where:
bonds (distance) C4'-P energy: -25.450
bonds (distance) P-C4' energy: -28.291
flat angles C4'-P-C4' energy: -27.636
flat angles P-C4'-P energy: -25.171
tors. eta vs tors. theta energy: -46.882
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: 2, replica: 6
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -500.755541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.755541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.755541 (E_RNA)
where:
Base-Base interactions energy: -354.583
where: short stacking energy: -151.596
Base-Backbone interact. energy: -0.251
local terms energy: -145.921838
where:
bonds (distance) C4'-P energy: -28.690
bonds (distance) P-C4' energy: -27.081
flat angles C4'-P-C4' energy: -28.230
flat angles P-C4'-P energy: -20.641
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: 3, replica: 2
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -468.506928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.506928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.506928 (E_RNA)
where:
Base-Base interactions energy: -321.014
where: short stacking energy: -145.718
Base-Backbone interact. energy: -0.671
local terms energy: -146.822029
where:
bonds (distance) C4'-P energy: -25.755
bonds (distance) P-C4' energy: -29.638
flat angles C4'-P-C4' energy: -31.392
flat angles P-C4'-P energy: -20.458
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: 4, replica: 8
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -455.176265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.176265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.176265 (E_RNA)
where:
Base-Base interactions energy: -323.426
where: short stacking energy: -129.562
Base-Backbone interact. energy: -1.228
local terms energy: -130.521914
where:
bonds (distance) C4'-P energy: -27.916
bonds (distance) P-C4' energy: -22.087
flat angles C4'-P-C4' energy: -30.320
flat angles P-C4'-P energy: -18.739
tors. eta vs tors. theta energy: -31.461
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: 3
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -440.240533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.240533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.240533 (E_RNA)
where:
Base-Base interactions energy: -300.628
where: short stacking energy: -130.828
Base-Backbone interact. energy: -1.247
local terms energy: -138.365686
where:
bonds (distance) C4'-P energy: -29.812
bonds (distance) P-C4' energy: -21.112
flat angles C4'-P-C4' energy: -23.577
flat angles P-C4'-P energy: -23.433
tors. eta vs tors. theta energy: -40.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -435.094805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.094805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.094805 (E_RNA)
where:
Base-Base interactions energy: -312.729
where: short stacking energy: -131.126
Base-Backbone interact. energy: 1.102
local terms energy: -123.467310
where:
bonds (distance) C4'-P energy: -21.515
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -26.300
flat angles P-C4'-P energy: -23.292
tors. eta vs tors. theta energy: -36.194
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: 1
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -374.721983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.721983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.721983 (E_RNA)
where:
Base-Base interactions energy: -250.014
where: short stacking energy: -108.054
Base-Backbone interact. energy: 0.597
local terms energy: -125.304747
where:
bonds (distance) C4'-P energy: -23.155
bonds (distance) P-C4' energy: -29.649
flat angles C4'-P-C4' energy: -27.605
flat angles P-C4'-P energy: -17.713
tors. eta vs tors. theta energy: -27.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -313.529031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.529031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.529031 (E_RNA)
where:
Base-Base interactions energy: -204.290
where: short stacking energy: -97.750
Base-Backbone interact. energy: -1.189
local terms energy: -108.050150
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -28.585
flat angles C4'-P-C4' energy: -28.641
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -25.239
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: 5
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -218.191267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.191267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.191267 (E_RNA)
where:
Base-Base interactions energy: -124.144
where: short stacking energy: -68.807
Base-Backbone interact. energy: 3.254
local terms energy: -97.301338
where:
bonds (distance) C4'-P energy: -25.116
bonds (distance) P-C4' energy: -29.472
flat angles C4'-P-C4' energy: -22.194
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -13.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -188.011100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.011100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.011100 (E_RNA)
where:
Base-Base interactions energy: -108.015
where: short stacking energy: -61.974
Base-Backbone interact. energy: -1.134
local terms energy: -78.862437
where:
bonds (distance) C4'-P energy: -22.385
bonds (distance) P-C4' energy: -23.236
flat angles C4'-P-C4' energy: -20.480
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -2.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -548.320364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.320364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.320364 (E_RNA)
where:
Base-Base interactions energy: -379.899
where: short stacking energy: -164.785
Base-Backbone interact. energy: -0.319
local terms energy: -168.102727
where:
bonds (distance) C4'-P energy: -27.866
bonds (distance) P-C4' energy: -28.310
flat angles C4'-P-C4' energy: -34.128
flat angles P-C4'-P energy: -28.197
tors. eta vs tors. theta energy: -49.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -500.378709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.378709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.378709 (E_RNA)
where:
Base-Base interactions energy: -354.782
where: short stacking energy: -139.596
Base-Backbone interact. energy: -0.470
local terms energy: -145.126098
where:
bonds (distance) C4'-P energy: -24.363
bonds (distance) P-C4' energy: -29.735
flat angles C4'-P-C4' energy: -29.941
flat angles P-C4'-P energy: -20.814
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: 3, replica: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -471.497139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.497139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.497139 (E_RNA)
where:
Base-Base interactions energy: -325.116
where: short stacking energy: -150.154
Base-Backbone interact. energy: -0.696
local terms energy: -145.684840
where:
bonds (distance) C4'-P energy: -27.707
bonds (distance) P-C4' energy: -25.839
flat angles C4'-P-C4' energy: -30.901
flat angles P-C4'-P energy: -17.146
tors. eta vs tors. theta energy: -44.092
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: 4, replica: 8
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -457.209585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.209585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.209585 (E_RNA)
where:
Base-Base interactions energy: -328.313
where: short stacking energy: -146.652
Base-Backbone interact. energy: 2.475
local terms energy: -131.372234
where:
bonds (distance) C4'-P energy: -21.778
bonds (distance) P-C4' energy: -29.205
flat angles C4'-P-C4' energy: -21.665
flat angles P-C4'-P energy: -21.115
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: 5, replica: 3
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -450.847488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.847488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.847488 (E_RNA)
where:
Base-Base interactions energy: -299.730
where: short stacking energy: -135.648
Base-Backbone interact. energy: -0.899
local terms energy: -150.218448
where:
bonds (distance) C4'-P energy: -26.815
bonds (distance) P-C4' energy: -26.530
flat angles C4'-P-C4' energy: -32.112
flat angles P-C4'-P energy: -18.249
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: 9
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -446.297745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.297745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.297745 (E_RNA)
where:
Base-Base interactions energy: -309.673
where: short stacking energy: -135.844
Base-Backbone interact. energy: 0.218
local terms energy: -136.842972
where:
bonds (distance) C4'-P energy: -23.102
bonds (distance) P-C4' energy: -25.722
flat angles C4'-P-C4' energy: -28.183
flat angles P-C4'-P energy: -23.798
tors. eta vs tors. theta energy: -36.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -331.507074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.507074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.507074 (E_RNA)
where:
Base-Base interactions energy: -210.592
where: short stacking energy: -102.420
Base-Backbone interact. energy: -0.064
local terms energy: -120.851484
where:
bonds (distance) C4'-P energy: -29.145
bonds (distance) P-C4' energy: -29.348
flat angles C4'-P-C4' energy: -21.315
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: -27.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -322.232187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.232187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.232187 (E_RNA)
where:
Base-Base interactions energy: -205.552
where: short stacking energy: -92.585
Base-Backbone interact. energy: 0.322
local terms energy: -117.001945
where:
bonds (distance) C4'-P energy: -19.470
bonds (distance) P-C4' energy: -24.578
flat angles C4'-P-C4' energy: -32.286
flat angles P-C4'-P energy: -20.395
tors. eta vs tors. theta energy: -20.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -199.170817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.170817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.170817 (E_RNA)
where:
Base-Base interactions energy: -115.434
where: short stacking energy: -47.021
Base-Backbone interact. energy: -2.162
local terms energy: -81.574526
where:
bonds (distance) C4'-P energy: -22.317
bonds (distance) P-C4' energy: -26.451
flat angles C4'-P-C4' energy: -20.744
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -2.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -212.712420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.712420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.712420 (E_RNA)
where:
Base-Base interactions energy: -119.266
where: short stacking energy: -59.785
Base-Backbone interact. energy: 1.623
local terms energy: -95.069003
where:
bonds (distance) C4'-P energy: -31.021
bonds (distance) P-C4' energy: -31.828
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -15.481
tors. eta vs tors. theta energy: -0.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -545.872912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.872912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.872912 (E_RNA)
where:
Base-Base interactions energy: -383.001
where: short stacking energy: -160.051
Base-Backbone interact. energy: -0.132
local terms energy: -162.740765
where:
bonds (distance) C4'-P energy: -25.357
bonds (distance) P-C4' energy: -33.325
flat angles C4'-P-C4' energy: -32.093
flat angles P-C4'-P energy: -25.557
tors. eta vs tors. theta energy: -46.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -491.818027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.818027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.818027 (E_RNA)
where:
Base-Base interactions energy: -341.816
where: short stacking energy: -153.660
Base-Backbone interact. energy: -0.193
local terms energy: -149.808596
where:
bonds (distance) C4'-P energy: -27.744
bonds (distance) P-C4' energy: -24.054
flat angles C4'-P-C4' energy: -31.803
flat angles P-C4'-P energy: -16.853
tors. eta vs tors. theta energy: -49.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -490.979493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.979493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.979493 (E_RNA)
where:
Base-Base interactions energy: -344.341
where: short stacking energy: -157.850
Base-Backbone interact. energy: -0.831
local terms energy: -145.808013
where:
bonds (distance) C4'-P energy: -24.329
bonds (distance) P-C4' energy: -26.702
flat angles C4'-P-C4' energy: -33.016
flat angles P-C4'-P energy: -15.984
tors. eta vs tors. theta energy: -45.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -461.911971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.911971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.911971 (E_RNA)
where:
Base-Base interactions energy: -315.564
where: short stacking energy: -151.918
Base-Backbone interact. energy: -0.373
local terms energy: -145.975122
where:
bonds (distance) C4'-P energy: -25.044
bonds (distance) P-C4' energy: -23.356
flat angles C4'-P-C4' energy: -32.413
flat angles P-C4'-P energy: -22.202
tors. eta vs tors. theta energy: -42.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -437.173328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.173328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.173328 (E_RNA)
where:
Base-Base interactions energy: -309.320
where: short stacking energy: -123.937
Base-Backbone interact. energy: -0.798
local terms energy: -127.056029
where:
bonds (distance) C4'-P energy: -24.214
bonds (distance) P-C4' energy: -24.535
flat angles C4'-P-C4' energy: -28.668
flat angles P-C4'-P energy: -20.143
tors. eta vs tors. theta energy: -29.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -428.636358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.636358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.636358 (E_RNA)
where:
Base-Base interactions energy: -300.650
where: short stacking energy: -131.709
Base-Backbone interact. energy: -1.018
local terms energy: -126.968212
where:
bonds (distance) C4'-P energy: -21.491
bonds (distance) P-C4' energy: -29.056
flat angles C4'-P-C4' energy: -25.673
flat angles P-C4'-P energy: -15.335
tors. eta vs tors. theta energy: -35.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -377.371240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.371240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.371240 (E_RNA)
where:
Base-Base interactions energy: -251.990
where: short stacking energy: -119.115
Base-Backbone interact. energy: -0.003
local terms energy: -125.378226
where:
bonds (distance) C4'-P energy: -24.740
bonds (distance) P-C4' energy: -25.206
flat angles C4'-P-C4' energy: -24.391
flat angles P-C4'-P energy: -19.200
tors. eta vs tors. theta energy: -31.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -334.274814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.274814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.274814 (E_RNA)
where:
Base-Base interactions energy: -212.685
where: short stacking energy: -87.749
Base-Backbone interact. energy: -0.290
local terms energy: -121.300065
where:
bonds (distance) C4'-P energy: -23.935
bonds (distance) P-C4' energy: -29.881
flat angles C4'-P-C4' energy: -25.019
flat angles P-C4'-P energy: -16.192
tors. eta vs tors. theta energy: -26.274
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: 149
Temperature: 1.300000
Total energy: -216.241191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.241191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.241191 (E_RNA)
where:
Base-Base interactions energy: -125.322
where: short stacking energy: -65.199
Base-Backbone interact. energy: -0.390
local terms energy: -90.529020
where:
bonds (distance) C4'-P energy: -21.545
bonds (distance) P-C4' energy: -27.627
flat angles C4'-P-C4' energy: -19.690
flat angles P-C4'-P energy: -14.115
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: 10, replica: 5
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -202.666246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.666246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.666246 (E_RNA)
where:
Base-Base interactions energy: -103.695
where: short stacking energy: -60.557
Base-Backbone interact. energy: 2.034
local terms energy: -101.005157
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -27.009
flat angles C4'-P-C4' energy: -26.614
flat angles P-C4'-P energy: -22.731
tors. eta vs tors. theta energy: -8.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -543.055623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.055623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.055623 (E_RNA)
where:
Base-Base interactions energy: -388.624
where: short stacking energy: -161.033
Base-Backbone interact. energy: -0.039
local terms energy: -154.392727
where:
bonds (distance) C4'-P energy: -24.876
bonds (distance) P-C4' energy: -28.571
flat angles C4'-P-C4' energy: -32.870
flat angles P-C4'-P energy: -22.565
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: 2, replica: 2
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -485.971230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.971230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.971230 (E_RNA)
where:
Base-Base interactions energy: -323.104
where: short stacking energy: -152.012
Base-Backbone interact. energy: -0.010
local terms energy: -162.857164
where:
bonds (distance) C4'-P energy: -30.656
bonds (distance) P-C4' energy: -33.464
flat angles C4'-P-C4' energy: -32.741
flat angles P-C4'-P energy: -19.943
tors. eta vs tors. theta energy: -46.053
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: 6
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -488.042949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.042949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.042949 (E_RNA)
where:
Base-Base interactions energy: -341.048
where: short stacking energy: -143.150
Base-Backbone interact. energy: -0.636
local terms energy: -146.358842
where:
bonds (distance) C4'-P energy: -28.597
bonds (distance) P-C4' energy: -23.269
flat angles C4'-P-C4' energy: -30.785
flat angles P-C4'-P energy: -19.726
tors. eta vs tors. theta energy: -43.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -460.493759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.493759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.493759 (E_RNA)
where:
Base-Base interactions energy: -332.919
where: short stacking energy: -136.743
Base-Backbone interact. energy: -0.245
local terms energy: -127.329101
where:
bonds (distance) C4'-P energy: -22.025
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -29.130
flat angles P-C4'-P energy: -17.388
tors. eta vs tors. theta energy: -40.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -437.407202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.407202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.407202 (E_RNA)
where:
Base-Base interactions energy: -305.888
where: short stacking energy: -132.662
Base-Backbone interact. energy: -0.825
local terms energy: -130.694854
where:
bonds (distance) C4'-P energy: -24.211
bonds (distance) P-C4' energy: -24.163
flat angles C4'-P-C4' energy: -28.152
flat angles P-C4'-P energy: -19.651
tors. eta vs tors. theta energy: -34.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -435.073856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.073856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.073856 (E_RNA)
where:
Base-Base interactions energy: -298.824
where: short stacking energy: -120.273
Base-Backbone interact. energy: -0.497
local terms energy: -135.753433
where:
bonds (distance) C4'-P energy: -28.528
bonds (distance) P-C4' energy: -26.721
flat angles C4'-P-C4' energy: -30.066
flat angles P-C4'-P energy: -19.956
tors. eta vs tors. theta energy: -30.482
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: 4
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -343.231731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.231731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.231731 (E_RNA)
where:
Base-Base interactions energy: -220.949
where: short stacking energy: -96.992
Base-Backbone interact. energy: -0.367
local terms energy: -121.916481
where:
bonds (distance) C4'-P energy: -21.872
bonds (distance) P-C4' energy: -27.564
flat angles C4'-P-C4' energy: -28.279
flat angles P-C4'-P energy: -20.707
tors. eta vs tors. theta energy: -23.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -336.657906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.657906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.657906 (E_RNA)
where:
Base-Base interactions energy: -236.629
where: short stacking energy: -111.913
Base-Backbone interact. energy: -0.075
local terms energy: -99.954595
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -24.457
flat angles C4'-P-C4' energy: -8.208
flat angles P-C4'-P energy: -20.526
tors. eta vs tors. theta energy: -29.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -209.616823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.616823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.616823 (E_RNA)
where:
Base-Base interactions energy: -131.323
where: short stacking energy: -76.031
Base-Backbone interact. energy: 1.445
local terms energy: -79.738922
where:
bonds (distance) C4'-P energy: -25.654
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -18.602
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -7.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -199.460872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.460872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.460872 (E_RNA)
where:
Base-Base interactions energy: -107.502
where: short stacking energy: -61.907
Base-Backbone interact. energy: -0.380
local terms energy: -91.579119
where:
bonds (distance) C4'-P energy: -22.528
bonds (distance) P-C4' energy: -26.976
flat angles C4'-P-C4' energy: -25.196
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -5.216
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: 1, replica: 7
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -532.026136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.026136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.026136 (E_RNA)
where:
Base-Base interactions energy: -374.341
where: short stacking energy: -166.382
Base-Backbone interact. energy: -0.008
local terms energy: -157.677165
where:
bonds (distance) C4'-P energy: -28.223
bonds (distance) P-C4' energy: -31.274
flat angles C4'-P-C4' energy: -27.671
flat angles P-C4'-P energy: -24.832
tors. eta vs tors. theta energy: -45.677
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: 6
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -495.134376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.134376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.134376 (E_RNA)
where:
Base-Base interactions energy: -346.691
where: short stacking energy: -157.058
Base-Backbone interact. energy: -1.862
local terms energy: -146.581358
where:
bonds (distance) C4'-P energy: -23.459
bonds (distance) P-C4' energy: -25.383
flat angles C4'-P-C4' energy: -28.899
flat angles P-C4'-P energy: -22.007
tors. eta vs tors. theta energy: -46.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -472.674127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.674127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.674127 (E_RNA)
where:
Base-Base interactions energy: -321.235
where: short stacking energy: -143.052
Base-Backbone interact. energy: -0.005
local terms energy: -151.434296
where:
bonds (distance) C4'-P energy: -27.670
bonds (distance) P-C4' energy: -27.938
flat angles C4'-P-C4' energy: -32.506
flat angles P-C4'-P energy: -19.204
tors. eta vs tors. theta energy: -44.116
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: 3
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -454.807123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.807123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.807123 (E_RNA)
where:
Base-Base interactions energy: -312.029
where: short stacking energy: -141.263
Base-Backbone interact. energy: -0.577
local terms energy: -142.201064
where:
bonds (distance) C4'-P energy: -22.529
bonds (distance) P-C4' energy: -28.339
flat angles C4'-P-C4' energy: -30.645
flat angles P-C4'-P energy: -19.844
tors. eta vs tors. theta energy: -40.845
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: 8
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -423.620239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.620239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.620239 (E_RNA)
where:
Base-Base interactions energy: -304.542
where: short stacking energy: -122.915
Base-Backbone interact. energy: -0.503
local terms energy: -118.575754
where:
bonds (distance) C4'-P energy: -19.095
bonds (distance) P-C4' energy: -21.114
flat angles C4'-P-C4' energy: -27.645
flat angles P-C4'-P energy: -18.493
tors. eta vs tors. theta energy: -32.229
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: 9
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -432.833758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.833758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.833758 (E_RNA)
where:
Base-Base interactions energy: -307.288
where: short stacking energy: -121.983
Base-Backbone interact. energy: -0.109
local terms energy: -125.437279
where:
bonds (distance) C4'-P energy: -20.530
bonds (distance) P-C4' energy: -20.493
flat angles C4'-P-C4' energy: -25.481
flat angles P-C4'-P energy: -20.546
tors. eta vs tors. theta energy: -38.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -336.048932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.048932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.048932 (E_RNA)
where:
Base-Base interactions energy: -226.255
where: short stacking energy: -99.881
Base-Backbone interact. energy: -0.097
local terms energy: -109.697402
where:
bonds (distance) C4'-P energy: -26.490
bonds (distance) P-C4' energy: -23.109
flat angles C4'-P-C4' energy: -29.964
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -20.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -327.065871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.065871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.065871 (E_RNA)
where:
Base-Base interactions energy: -210.275
where: short stacking energy: -93.640
Base-Backbone interact. energy: -0.540
local terms energy: -116.251179
where:
bonds (distance) C4'-P energy: -26.899
bonds (distance) P-C4' energy: -25.965
flat angles C4'-P-C4' energy: -22.327
flat angles P-C4'-P energy: -20.528
tors. eta vs tors. theta energy: -20.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -209.967300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.967300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.967300 (E_RNA)
where:
Base-Base interactions energy: -113.016
where: short stacking energy: -60.229
Base-Backbone interact. energy: -0.196
local terms energy: -96.755925
where:
bonds (distance) C4'-P energy: -22.688
bonds (distance) P-C4' energy: -25.085
flat angles C4'-P-C4' energy: -22.744
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -16.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -189.773392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.773392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.773392 (E_RNA)
where:
Base-Base interactions energy: -101.075
where: short stacking energy: -48.322
Base-Backbone interact. energy: -1.575
local terms energy: -87.123603
where:
bonds (distance) C4'-P energy: -23.245
bonds (distance) P-C4' energy: -29.379
flat angles C4'-P-C4' energy: -25.983
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: 1.742
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: 1, replica: 7
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -535.556720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.556720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.556720 (E_RNA)
where:
Base-Base interactions energy: -378.893
where: short stacking energy: -161.598
Base-Backbone interact. energy: -0.128
local terms energy: -156.535422
where:
bonds (distance) C4'-P energy: -30.420
bonds (distance) P-C4' energy: -25.679
flat angles C4'-P-C4' energy: -31.295
flat angles P-C4'-P energy: -22.361
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: 6
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -494.464327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.464327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.464327 (E_RNA)
where:
Base-Base interactions energy: -352.518
where: short stacking energy: -139.043
Base-Backbone interact. energy: -0.293
local terms energy: -141.653424
where:
bonds (distance) C4'-P energy: -27.716
bonds (distance) P-C4' energy: -24.013
flat angles C4'-P-C4' energy: -31.393
flat angles P-C4'-P energy: -18.653
tors. eta vs tors. theta energy: -39.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -456.554920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.554920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.554920 (E_RNA)
where:
Base-Base interactions energy: -305.405
where: short stacking energy: -136.812
Base-Backbone interact. energy: -0.679
local terms energy: -150.470742
where:
bonds (distance) C4'-P energy: -31.501
bonds (distance) P-C4' energy: -21.821
flat angles C4'-P-C4' energy: -32.472
flat angles P-C4'-P energy: -26.342
tors. eta vs tors. theta energy: -38.335
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: 2
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -430.576899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.576899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.576899 (E_RNA)
where:
Base-Base interactions energy: -290.975
where: short stacking energy: -130.940
Base-Backbone interact. energy: -0.177
local terms energy: -139.424930
where:
bonds (distance) C4'-P energy: -23.585
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -28.350
flat angles P-C4'-P energy: -21.436
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: 5, replica: 9
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -447.418804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.418804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.418804 (E_RNA)
where:
Base-Base interactions energy: -309.605
where: short stacking energy: -128.223
Base-Backbone interact. energy: -0.114
local terms energy: -137.699521
where:
bonds (distance) C4'-P energy: -21.230
bonds (distance) P-C4' energy: -29.565
flat angles C4'-P-C4' energy: -32.201
flat angles P-C4'-P energy: -17.765
tors. eta vs tors. theta energy: -36.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -410.294278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.294278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.294278 (E_RNA)
where:
Base-Base interactions energy: -276.101
where: short stacking energy: -128.680
Base-Backbone interact. energy: -0.272
local terms energy: -133.920669
where:
bonds (distance) C4'-P energy: -25.362
bonds (distance) P-C4' energy: -27.535
flat angles C4'-P-C4' energy: -28.202
flat angles P-C4'-P energy: -16.729
tors. eta vs tors. theta energy: -36.092
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: 152
Temperature: 1.200000
Total energy: -353.076878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.076878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.076878 (E_RNA)
where:
Base-Base interactions energy: -245.623
where: short stacking energy: -107.624
Base-Backbone interact. energy: 0.190
local terms energy: -107.643792
where:
bonds (distance) C4'-P energy: -20.068
bonds (distance) P-C4' energy: -25.893
flat angles C4'-P-C4' energy: -22.925
flat angles P-C4'-P energy: -14.738
tors. eta vs tors. theta energy: -24.020
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: 152
Temperature: 1.250000
Total energy: -325.338347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.338347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.338347 (E_RNA)
where:
Base-Base interactions energy: -230.872
where: short stacking energy: -101.074
Base-Backbone interact. energy: -0.216
local terms energy: -94.250085
where:
bonds (distance) C4'-P energy: -21.142
bonds (distance) P-C4' energy: -9.019
flat angles C4'-P-C4' energy: -26.576
flat angles P-C4'-P energy: -14.392
tors. eta vs tors. theta energy: -23.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -226.371742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.371742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.371742 (E_RNA)
where:
Base-Base interactions energy: -128.698
where: short stacking energy: -61.698
Base-Backbone interact. energy: 0.672
local terms energy: -98.345994
where:
bonds (distance) C4'-P energy: -29.224
bonds (distance) P-C4' energy: -27.159
flat angles C4'-P-C4' energy: -21.100
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -7.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -192.353424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.353424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.353424 (E_RNA)
where:
Base-Base interactions energy: -108.364
where: short stacking energy: -52.860
Base-Backbone interact. energy: -0.968
local terms energy: -83.021520
where:
bonds (distance) C4'-P energy: -20.288
bonds (distance) P-C4' energy: -30.037
flat angles C4'-P-C4' energy: -23.561
flat angles P-C4'-P energy: -5.809
tors. eta vs tors. theta energy: -3.327
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: 1, replica: 7
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -539.514498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.514498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.514498 (E_RNA)
where:
Base-Base interactions energy: -379.207
where: short stacking energy: -153.046
Base-Backbone interact. energy: -0.032
local terms energy: -160.274926
where:
bonds (distance) C4'-P energy: -27.741
bonds (distance) P-C4' energy: -31.080
flat angles C4'-P-C4' energy: -32.176
flat angles P-C4'-P energy: -24.551
tors. eta vs tors. theta energy: -44.727
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: 2, replica: 6
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -497.334093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.334093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.334093 (E_RNA)
where:
Base-Base interactions energy: -348.731
where: short stacking energy: -137.584
Base-Backbone interact. energy: -1.450
local terms energy: -147.153046
where:
bonds (distance) C4'-P energy: -31.366
bonds (distance) P-C4' energy: -19.285
flat angles C4'-P-C4' energy: -31.738
flat angles P-C4'-P energy: -25.738
tors. eta vs tors. theta energy: -39.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -462.974360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.974360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.974360 (E_RNA)
where:
Base-Base interactions energy: -314.140
where: short stacking energy: -142.100
Base-Backbone interact. energy: -0.013
local terms energy: -148.821483
where:
bonds (distance) C4'-P energy: -26.016
bonds (distance) P-C4' energy: -26.383
flat angles C4'-P-C4' energy: -30.062
flat angles P-C4'-P energy: -25.432
tors. eta vs tors. theta energy: -40.928
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: 9
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -444.493871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.493871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.493871 (E_RNA)
where:
Base-Base interactions energy: -309.515
where: short stacking energy: -134.478
Base-Backbone interact. energy: -1.159
local terms energy: -133.819879
where:
bonds (distance) C4'-P energy: -28.657
bonds (distance) P-C4' energy: -24.743
flat angles C4'-P-C4' energy: -28.675
flat angles P-C4'-P energy: -16.809
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: 5, replica: 2
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -437.074529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.074529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.074529 (E_RNA)
where:
Base-Base interactions energy: -303.793
where: short stacking energy: -138.077
Base-Backbone interact. energy: -0.172
local terms energy: -133.109169
where:
bonds (distance) C4'-P energy: -23.308
bonds (distance) P-C4' energy: -32.620
flat angles C4'-P-C4' energy: -22.819
flat angles P-C4'-P energy: -17.780
tors. eta vs tors. theta energy: -36.582
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: 8
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -400.966023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.966023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.966023 (E_RNA)
where:
Base-Base interactions energy: -274.891
where: short stacking energy: -112.953
Base-Backbone interact. energy: 0.485
local terms energy: -126.560140
where:
bonds (distance) C4'-P energy: -26.125
bonds (distance) P-C4' energy: -25.473
flat angles C4'-P-C4' energy: -25.964
flat angles P-C4'-P energy: -22.276
tors. eta vs tors. theta energy: -26.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -354.995043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.995043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.995043 (E_RNA)
where:
Base-Base interactions energy: -238.428
where: short stacking energy: -109.215
Base-Backbone interact. energy: -0.139
local terms energy: -116.427970
where:
bonds (distance) C4'-P energy: -25.543
bonds (distance) P-C4' energy: -27.492
flat angles C4'-P-C4' energy: -25.341
flat angles P-C4'-P energy: -16.657
tors. eta vs tors. theta energy: -21.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -346.168422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.168422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.168422 (E_RNA)
where:
Base-Base interactions energy: -236.387
where: short stacking energy: -112.147
Base-Backbone interact. energy: -0.703
local terms energy: -109.078937
where:
bonds (distance) C4'-P energy: -21.334
bonds (distance) P-C4' energy: -22.065
flat angles C4'-P-C4' energy: -23.068
flat angles P-C4'-P energy: -15.972
tors. eta vs tors. theta energy: -26.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -215.633978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.633978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.633978 (E_RNA)
where:
Base-Base interactions energy: -132.362
where: short stacking energy: -67.011
Base-Backbone interact. energy: 0.196
local terms energy: -83.468171
where:
bonds (distance) C4'-P energy: -26.071
bonds (distance) P-C4' energy: -19.541
flat angles C4'-P-C4' energy: -22.123
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -4.869
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: 5
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -184.059622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.059622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.059622 (E_RNA)
where:
Base-Base interactions energy: -93.204
where: short stacking energy: -47.473
Base-Backbone interact. energy: -0.322
local terms energy: -90.533190
where:
bonds (distance) C4'-P energy: -26.280
bonds (distance) P-C4' energy: -21.949
flat angles C4'-P-C4' energy: -24.928
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -6.883
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: 6
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -530.346644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.346644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.346644 (E_RNA)
where:
Base-Base interactions energy: -372.288
where: short stacking energy: -149.459
Base-Backbone interact. energy: -0.258
local terms energy: -157.800226
where:
bonds (distance) C4'-P energy: -27.461
bonds (distance) P-C4' energy: -31.574
flat angles C4'-P-C4' energy: -30.192
flat angles P-C4'-P energy: -22.382
tors. eta vs tors. theta energy: -46.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -527.468473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.468473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.468473 (E_RNA)
where:
Base-Base interactions energy: -371.645
where: short stacking energy: -146.109
Base-Backbone interact. energy: -0.425
local terms energy: -155.398955
where:
bonds (distance) C4'-P energy: -31.497
bonds (distance) P-C4' energy: -28.363
flat angles C4'-P-C4' energy: -29.395
flat angles P-C4'-P energy: -22.331
tors. eta vs tors. theta energy: -43.813
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: 3
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -461.166419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.166419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.166419 (E_RNA)
where:
Base-Base interactions energy: -318.837
where: short stacking energy: -142.953
Base-Backbone interact. energy: -0.461
local terms energy: -141.868516
where:
bonds (distance) C4'-P energy: -19.651
bonds (distance) P-C4' energy: -25.905
flat angles C4'-P-C4' energy: -32.357
flat angles P-C4'-P energy: -23.254
tors. eta vs tors. theta energy: -40.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -441.492416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.492416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.492416 (E_RNA)
where:
Base-Base interactions energy: -314.480
where: short stacking energy: -130.203
Base-Backbone interact. energy: -0.029
local terms energy: -126.982659
where:
bonds (distance) C4'-P energy: -27.175
bonds (distance) P-C4' energy: -24.123
flat angles C4'-P-C4' energy: -31.101
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -31.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -435.437588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.437588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.437588 (E_RNA)
where:
Base-Base interactions energy: -299.086
where: short stacking energy: -128.766
Base-Backbone interact. energy: -0.660
local terms energy: -135.691265
where:
bonds (distance) C4'-P energy: -26.764
bonds (distance) P-C4' energy: -24.614
flat angles C4'-P-C4' energy: -27.421
flat angles P-C4'-P energy: -19.371
tors. eta vs tors. theta energy: -37.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -384.540913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.540913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.540913 (E_RNA)
where:
Base-Base interactions energy: -272.880
where: short stacking energy: -105.545
Base-Backbone interact. energy: -0.886
local terms energy: -110.774554
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -29.274
flat angles C4'-P-C4' energy: -22.890
flat angles P-C4'-P energy: -19.290
tors. eta vs tors. theta energy: -25.033
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: 1
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -371.466445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.466445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.466445 (E_RNA)
where:
Base-Base interactions energy: -255.210
where: short stacking energy: -113.910
Base-Backbone interact. energy: 0.403
local terms energy: -116.659544
where:
bonds (distance) C4'-P energy: -17.918
bonds (distance) P-C4' energy: -24.947
flat angles C4'-P-C4' energy: -24.160
flat angles P-C4'-P energy: -18.761
tors. eta vs tors. theta energy: -30.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -345.500751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.500751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.500751 (E_RNA)
where:
Base-Base interactions energy: -230.589
where: short stacking energy: -99.881
Base-Backbone interact. energy: -0.149
local terms energy: -114.762724
where:
bonds (distance) C4'-P energy: -28.144
bonds (distance) P-C4' energy: -19.426
flat angles C4'-P-C4' energy: -25.155
flat angles P-C4'-P energy: -14.793
tors. eta vs tors. theta energy: -27.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -203.580565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.580565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.580565 (E_RNA)
where:
Base-Base interactions energy: -111.376
where: short stacking energy: -54.359
Base-Backbone interact. energy: -0.380
local terms energy: -91.824494
where:
bonds (distance) C4'-P energy: -24.955
bonds (distance) P-C4' energy: -29.612
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -15.449
tors. eta vs tors. theta energy: -3.086
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: 10
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -189.944291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.944291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.944291 (E_RNA)
where:
Base-Base interactions energy: -119.525
where: short stacking energy: -48.766
Base-Backbone interact. energy: -1.139
local terms energy: -69.280925
where:
bonds (distance) C4'-P energy: -26.858
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: 3.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -541.220236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.220236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.220236 (E_RNA)
where:
Base-Base interactions energy: -379.674
where: short stacking energy: -143.753
Base-Backbone interact. energy: -0.819
local terms energy: -160.727241
where:
bonds (distance) C4'-P energy: -28.472
bonds (distance) P-C4' energy: -30.283
flat angles C4'-P-C4' energy: -34.322
flat angles P-C4'-P energy: -25.563
tors. eta vs tors. theta energy: -42.087
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: 2, replica: 7
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -528.311971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.311971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.311971 (E_RNA)
where:
Base-Base interactions energy: -364.638
where: short stacking energy: -148.966
Base-Backbone interact. energy: -0.003
local terms energy: -163.671413
where:
bonds (distance) C4'-P energy: -28.300
bonds (distance) P-C4' energy: -30.037
flat angles C4'-P-C4' energy: -32.530
flat angles P-C4'-P energy: -24.273
tors. eta vs tors. theta energy: -48.532
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: 3
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -470.749901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.749901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.749901 (E_RNA)
where:
Base-Base interactions energy: -320.304
where: short stacking energy: -152.569
Base-Backbone interact. energy: -0.945
local terms energy: -149.500854
where:
bonds (distance) C4'-P energy: -21.465
bonds (distance) P-C4' energy: -28.663
flat angles C4'-P-C4' energy: -33.727
flat angles P-C4'-P energy: -18.571
tors. eta vs tors. theta energy: -47.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -454.777140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.777140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.777140 (E_RNA)
where:
Base-Base interactions energy: -304.216
where: short stacking energy: -143.670
Base-Backbone interact. energy: -0.466
local terms energy: -150.095067
where:
bonds (distance) C4'-P energy: -26.540
bonds (distance) P-C4' energy: -31.590
flat angles C4'-P-C4' energy: -30.614
flat angles P-C4'-P energy: -23.575
tors. eta vs tors. theta energy: -37.775
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: 9
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -436.776178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.776178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.776178 (E_RNA)
where:
Base-Base interactions energy: -307.257
where: short stacking energy: -125.351
Base-Backbone interact. energy: -0.249
local terms energy: -129.269809
where:
bonds (distance) C4'-P energy: -26.971
bonds (distance) P-C4' energy: -24.720
flat angles C4'-P-C4' energy: -24.164
flat angles P-C4'-P energy: -19.254
tors. eta vs tors. theta energy: -34.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -344.352732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.352732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.352732 (E_RNA)
where:
Base-Base interactions energy: -231.163
where: short stacking energy: -113.160
Base-Backbone interact. energy: -0.741
local terms energy: -112.448688
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -25.572
flat angles C4'-P-C4' energy: -25.719
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -26.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -371.594988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.594988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.594988 (E_RNA)
where:
Base-Base interactions energy: -259.200
where: short stacking energy: -114.786
Base-Backbone interact. energy: -1.781
local terms energy: -110.613941
where:
bonds (distance) C4'-P energy: -19.330
bonds (distance) P-C4' energy: -28.845
flat angles C4'-P-C4' energy: -28.873
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -24.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -345.184248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.184248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.184248 (E_RNA)
where:
Base-Base interactions energy: -222.188
where: short stacking energy: -103.443
Base-Backbone interact. energy: -0.481
local terms energy: -122.515753
where:
bonds (distance) C4'-P energy: -24.587
bonds (distance) P-C4' energy: -23.848
flat angles C4'-P-C4' energy: -29.238
flat angles P-C4'-P energy: -18.016
tors. eta vs tors. theta energy: -26.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -214.046325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.046325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.046325 (E_RNA)
where:
Base-Base interactions energy: -116.601
where: short stacking energy: -58.404
Base-Backbone interact. energy: -0.226
local terms energy: -97.219226
where:
bonds (distance) C4'-P energy: -25.751
bonds (distance) P-C4' energy: -30.549
flat angles C4'-P-C4' energy: -24.933
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -3.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -184.434333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.434333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.434333 (E_RNA)
where:
Base-Base interactions energy: -104.278
where: short stacking energy: -56.368
Base-Backbone interact. energy: 1.263
local terms energy: -81.418718
where:
bonds (distance) C4'-P energy: -29.689
bonds (distance) P-C4' energy: -20.987
flat angles C4'-P-C4' energy: -21.458
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: 1.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -535.102592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.102592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.102592 (E_RNA)
where:
Base-Base interactions energy: -384.348
where: short stacking energy: -165.808
Base-Backbone interact. energy: -0.237
local terms energy: -150.518058
where:
bonds (distance) C4'-P energy: -28.189
bonds (distance) P-C4' energy: -27.971
flat angles C4'-P-C4' energy: -28.529
flat angles P-C4'-P energy: -22.852
tors. eta vs tors. theta energy: -42.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -534.451825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.451825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.451825 (E_RNA)
where:
Base-Base interactions energy: -382.500
where: short stacking energy: -144.970
Base-Backbone interact. energy: -0.128
local terms energy: -151.823196
where:
bonds (distance) C4'-P energy: -30.805
bonds (distance) P-C4' energy: -23.254
flat angles C4'-P-C4' energy: -32.367
flat angles P-C4'-P energy: -20.918
tors. eta vs tors. theta energy: -44.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -485.270933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.270933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.270933 (E_RNA)
where:
Base-Base interactions energy: -338.832
where: short stacking energy: -146.795
Base-Backbone interact. energy: -0.278
local terms energy: -146.161119
where:
bonds (distance) C4'-P energy: -29.812
bonds (distance) P-C4' energy: -25.437
flat angles C4'-P-C4' energy: -31.726
flat angles P-C4'-P energy: -17.842
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: 4, replica: 3
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -451.900117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.900117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.900117 (E_RNA)
where:
Base-Base interactions energy: -302.682
where: short stacking energy: -142.590
Base-Backbone interact. energy: -0.179
local terms energy: -149.038854
where:
bonds (distance) C4'-P energy: -27.385
bonds (distance) P-C4' energy: -26.716
flat angles C4'-P-C4' energy: -30.803
flat angles P-C4'-P energy: -18.490
tors. eta vs tors. theta energy: -45.645
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: 5, replica: 9
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -431.910667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.910667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.910667 (E_RNA)
where:
Base-Base interactions energy: -295.384
where: short stacking energy: -124.705
Base-Backbone interact. energy: -0.038
local terms energy: -136.488714
where:
bonds (distance) C4'-P energy: -26.243
bonds (distance) P-C4' energy: -24.543
flat angles C4'-P-C4' energy: -30.194
flat angles P-C4'-P energy: -15.417
tors. eta vs tors. theta energy: -40.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -359.627689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.627689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.627689 (E_RNA)
where:
Base-Base interactions energy: -232.325
where: short stacking energy: -105.724
Base-Backbone interact. energy: -0.043
local terms energy: -127.259104
where:
bonds (distance) C4'-P energy: -29.728
bonds (distance) P-C4' energy: -27.179
flat angles C4'-P-C4' energy: -30.017
flat angles P-C4'-P energy: -16.508
tors. eta vs tors. theta energy: -23.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -384.702706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.702706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.702706 (E_RNA)
where:
Base-Base interactions energy: -263.802
where: short stacking energy: -113.577
Base-Backbone interact. energy: -0.549
local terms energy: -120.351121
where:
bonds (distance) C4'-P energy: -21.925
bonds (distance) P-C4' energy: -26.612
flat angles C4'-P-C4' energy: -28.014
flat angles P-C4'-P energy: -20.005
tors. eta vs tors. theta energy: -23.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -321.185464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.185464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.185464 (E_RNA)
where:
Base-Base interactions energy: -206.639
where: short stacking energy: -92.521
Base-Backbone interact. energy: -0.391
local terms energy: -114.155369
where:
bonds (distance) C4'-P energy: -28.918
bonds (distance) P-C4' energy: -34.611
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -20.806
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: 5
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -212.632722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.632722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.632722 (E_RNA)
where:
Base-Base interactions energy: -115.630
where: short stacking energy: -66.307
Base-Backbone interact. energy: -0.935
local terms energy: -96.068370
where:
bonds (distance) C4'-P energy: -23.651
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -28.984
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -127.099927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.099927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.099927 (E_RNA)
where:
Base-Base interactions energy: -42.812
where: short stacking energy: -40.936
Base-Backbone interact. energy: -0.352
local terms energy: -83.935984
where:
bonds (distance) C4'-P energy: -20.578
bonds (distance) P-C4' energy: -26.184
flat angles C4'-P-C4' energy: -19.363
flat angles P-C4'-P energy: -16.046
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: 1, replica: 7
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -527.892848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.892848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.892848 (E_RNA)
where:
Base-Base interactions energy: -375.352
where: short stacking energy: -156.494
Base-Backbone interact. energy: -0.739
local terms energy: -151.800994
where:
bonds (distance) C4'-P energy: -29.299
bonds (distance) P-C4' energy: -27.295
flat angles C4'-P-C4' energy: -33.277
flat angles P-C4'-P energy: -20.223
tors. eta vs tors. theta energy: -41.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -484.392087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.392087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.392087 (E_RNA)
where:
Base-Base interactions energy: -328.195
where: short stacking energy: -151.347
Base-Backbone interact. energy: -1.027
local terms energy: -155.170924
where:
bonds (distance) C4'-P energy: -25.990
bonds (distance) P-C4' energy: -27.946
flat angles C4'-P-C4' energy: -35.439
flat angles P-C4'-P energy: -21.238
tors. eta vs tors. theta energy: -44.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -516.907212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.907212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.907212 (E_RNA)
where:
Base-Base interactions energy: -377.640
where: short stacking energy: -143.320
Base-Backbone interact. energy: -0.126
local terms energy: -139.142023
where:
bonds (distance) C4'-P energy: -23.188
bonds (distance) P-C4' energy: -22.646
flat angles C4'-P-C4' energy: -27.565
flat angles P-C4'-P energy: -24.025
tors. eta vs tors. theta energy: -41.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -455.684763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.684763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.684763 (E_RNA)
where:
Base-Base interactions energy: -324.652
where: short stacking energy: -141.101
Base-Backbone interact. energy: -0.084
local terms energy: -130.948148
where:
bonds (distance) C4'-P energy: -25.183
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -33.087
flat angles P-C4'-P energy: -14.812
tors. eta vs tors. theta energy: -38.864
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: 9
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -423.724724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.724724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.724724 (E_RNA)
where:
Base-Base interactions energy: -298.412
where: short stacking energy: -126.299
Base-Backbone interact. energy: 0.509
local terms energy: -125.820967
where:
bonds (distance) C4'-P energy: -22.844
bonds (distance) P-C4' energy: -22.842
flat angles C4'-P-C4' energy: -27.939
flat angles P-C4'-P energy: -18.252
tors. eta vs tors. theta energy: -33.944
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: 4
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -382.731498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.731498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.731498 (E_RNA)
where:
Base-Base interactions energy: -262.363
where: short stacking energy: -107.398
Base-Backbone interact. energy: -0.062
local terms energy: -120.306506
where:
bonds (distance) C4'-P energy: -25.305
bonds (distance) P-C4' energy: -27.056
flat angles C4'-P-C4' energy: -29.183
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -25.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -363.984609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.984609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.984609 (E_RNA)
where:
Base-Base interactions energy: -248.350
where: short stacking energy: -94.988
Base-Backbone interact. energy: -0.752
local terms energy: -114.882103
where:
bonds (distance) C4'-P energy: -25.506
bonds (distance) P-C4' energy: -26.910
flat angles C4'-P-C4' energy: -27.648
flat angles P-C4'-P energy: -16.353
tors. eta vs tors. theta energy: -18.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -341.794667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.794667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.794667 (E_RNA)
where:
Base-Base interactions energy: -235.145
where: short stacking energy: -95.145
Base-Backbone interact. energy: -0.662
local terms energy: -105.987584
where:
bonds (distance) C4'-P energy: -24.429
bonds (distance) P-C4' energy: -24.980
flat angles C4'-P-C4' energy: -24.642
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -21.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -207.295383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.295383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.295383 (E_RNA)
where:
Base-Base interactions energy: -114.270
where: short stacking energy: -62.018
Base-Backbone interact. energy: 0.716
local terms energy: -93.741094
where:
bonds (distance) C4'-P energy: -29.170
bonds (distance) P-C4' energy: -21.000
flat angles C4'-P-C4' energy: -26.921
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -5.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -144.056368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.056368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.056368 (E_RNA)
where:
Base-Base interactions energy: -64.968
where: short stacking energy: -46.831
Base-Backbone interact. energy: 1.209
local terms energy: -80.297493
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -26.821
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -15.478
tors. eta vs tors. theta energy: -6.423
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: 7
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -524.584453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.584453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.584453 (E_RNA)
where:
Base-Base interactions energy: -384.350
where: short stacking energy: -164.788
Base-Backbone interact. energy: -0.086
local terms energy: -140.149252
where:
bonds (distance) C4'-P energy: -22.994
bonds (distance) P-C4' energy: -24.658
flat angles C4'-P-C4' energy: -28.115
flat angles P-C4'-P energy: -18.648
tors. eta vs tors. theta energy: -45.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -491.673214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.673214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.673214 (E_RNA)
where:
Base-Base interactions energy: -347.994
where: short stacking energy: -156.427
Base-Backbone interact. energy: 0.729
local terms energy: -144.407954
where:
bonds (distance) C4'-P energy: -25.510
bonds (distance) P-C4' energy: -30.068
flat angles C4'-P-C4' energy: -25.758
flat angles P-C4'-P energy: -16.451
tors. eta vs tors. theta energy: -46.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -526.602683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.602683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.602683 (E_RNA)
where:
Base-Base interactions energy: -370.813
where: short stacking energy: -158.460
Base-Backbone interact. energy: -0.018
local terms energy: -155.771423
where:
bonds (distance) C4'-P energy: -29.266
bonds (distance) P-C4' energy: -24.200
flat angles C4'-P-C4' energy: -31.664
flat angles P-C4'-P energy: -24.885
tors. eta vs tors. theta energy: -45.757
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: 3
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -463.894048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.894048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.894048 (E_RNA)
where:
Base-Base interactions energy: -321.018
where: short stacking energy: -143.552
Base-Backbone interact. energy: -0.505
local terms energy: -142.370435
where:
bonds (distance) C4'-P energy: -25.779
bonds (distance) P-C4' energy: -25.234
flat angles C4'-P-C4' energy: -30.255
flat angles P-C4'-P energy: -20.213
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: 5, replica: 9
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -454.755884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.755884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.755884 (E_RNA)
where:
Base-Base interactions energy: -307.419
where: short stacking energy: -140.256
Base-Backbone interact. energy: -1.115
local terms energy: -146.221718
where:
bonds (distance) C4'-P energy: -26.770
bonds (distance) P-C4' energy: -27.025
flat angles C4'-P-C4' energy: -28.722
flat angles P-C4'-P energy: -22.054
tors. eta vs tors. theta energy: -41.651
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: 6, replica: 4
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -382.969411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.969411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.969411 (E_RNA)
where:
Base-Base interactions energy: -246.413
where: short stacking energy: -117.638
Base-Backbone interact. energy: -0.129
local terms energy: -136.427210
where:
bonds (distance) C4'-P energy: -20.738
bonds (distance) P-C4' energy: -30.531
flat angles C4'-P-C4' energy: -31.149
flat angles P-C4'-P energy: -20.125
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: 158
Temperature: 1.200000
Total energy: -357.920172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.920172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.920172 (E_RNA)
where:
Base-Base interactions energy: -243.556
where: short stacking energy: -102.161
Base-Backbone interact. energy: 0.507
local terms energy: -114.870919
where:
bonds (distance) C4'-P energy: -23.776
bonds (distance) P-C4' energy: -25.264
flat angles C4'-P-C4' energy: -19.905
flat angles P-C4'-P energy: -22.783
tors. eta vs tors. theta energy: -23.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -335.802144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.802144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.802144 (E_RNA)
where:
Base-Base interactions energy: -242.983
where: short stacking energy: -87.972
Base-Backbone interact. energy: -1.696
local terms energy: -91.123344
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -27.637
flat angles C4'-P-C4' energy: -20.280
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -12.238
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: 9, replica: 10
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -142.580847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.580847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.580847 (E_RNA)
where:
Base-Base interactions energy: -54.715
where: short stacking energy: -50.948
Base-Backbone interact. energy: -0.523
local terms energy: -87.343249
where:
bonds (distance) C4'-P energy: -21.711
bonds (distance) P-C4' energy: -23.448
flat angles C4'-P-C4' energy: -22.199
flat angles P-C4'-P energy: -15.555
tors. eta vs tors. theta energy: -4.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -195.970539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.970539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.970539 (E_RNA)
where:
Base-Base interactions energy: -99.885
where: short stacking energy: -52.069
Base-Backbone interact. energy: -0.440
local terms energy: -95.646168
where:
bonds (distance) C4'-P energy: -27.171
bonds (distance) P-C4' energy: -25.381
flat angles C4'-P-C4' energy: -25.056
flat angles P-C4'-P energy: -17.556
tors. eta vs tors. theta energy: -0.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -531.886583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.886583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.886583 (E_RNA)
where:
Base-Base interactions energy: -374.629
where: short stacking energy: -155.907
Base-Backbone interact. energy: 0.126
local terms energy: -157.383558
where:
bonds (distance) C4'-P energy: -24.253
bonds (distance) P-C4' energy: -30.893
flat angles C4'-P-C4' energy: -32.159
flat angles P-C4'-P energy: -24.281
tors. eta vs tors. theta energy: -45.798
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: 159
Temperature: 0.950000
Total energy: -488.674616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.674616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.674616 (E_RNA)
where:
Base-Base interactions energy: -344.616
where: short stacking energy: -147.357
Base-Backbone interact. energy: -0.113
local terms energy: -143.945756
where:
bonds (distance) C4'-P energy: -27.097
bonds (distance) P-C4' energy: -26.861
flat angles C4'-P-C4' energy: -35.572
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -41.968
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: 6
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -522.506488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.506488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.506488 (E_RNA)
where:
Base-Base interactions energy: -382.806
where: short stacking energy: -151.208
Base-Backbone interact. energy: -0.294
local terms energy: -139.406393
where:
bonds (distance) C4'-P energy: -24.764
bonds (distance) P-C4' energy: -27.027
flat angles C4'-P-C4' energy: -25.277
flat angles P-C4'-P energy: -19.869
tors. eta vs tors. theta energy: -42.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -461.232507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.232507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.232507 (E_RNA)
where:
Base-Base interactions energy: -326.031
where: short stacking energy: -140.736
Base-Backbone interact. energy: 0.074
local terms energy: -135.275526
where:
bonds (distance) C4'-P energy: -22.989
bonds (distance) P-C4' energy: -23.729
flat angles C4'-P-C4' energy: -28.001
flat angles P-C4'-P energy: -18.728
tors. eta vs tors. theta energy: -41.829
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: 3
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -448.839386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.839386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.839386 (E_RNA)
where:
Base-Base interactions energy: -304.008
where: short stacking energy: -127.194
Base-Backbone interact. energy: -0.391
local terms energy: -144.441018
where:
bonds (distance) C4'-P energy: -28.636
bonds (distance) P-C4' energy: -22.166
flat angles C4'-P-C4' energy: -26.745
flat angles P-C4'-P energy: -26.164
tors. eta vs tors. theta energy: -40.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -374.843860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.843860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.843860 (E_RNA)
where:
Base-Base interactions energy: -251.803
where: short stacking energy: -106.746
Base-Backbone interact. energy: 0.385
local terms energy: -123.425034
where:
bonds (distance) C4'-P energy: -28.718
bonds (distance) P-C4' energy: -25.164
flat angles C4'-P-C4' energy: -27.502
flat angles P-C4'-P energy: -16.603
tors. eta vs tors. theta energy: -25.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -355.906580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.906580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.906580 (E_RNA)
where:
Base-Base interactions energy: -239.622
where: short stacking energy: -100.402
Base-Backbone interact. energy: -0.052
local terms energy: -116.232733
where:
bonds (distance) C4'-P energy: -24.820
bonds (distance) P-C4' energy: -21.723
flat angles C4'-P-C4' energy: -28.546
flat angles P-C4'-P energy: -15.686
tors. eta vs tors. theta energy: -25.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -320.065504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.065504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.065504 (E_RNA)
where:
Base-Base interactions energy: -199.740
where: short stacking energy: -88.533
Base-Backbone interact. energy: -0.338
local terms energy: -119.987105
where:
bonds (distance) C4'-P energy: -27.170
bonds (distance) P-C4' energy: -29.041
flat angles C4'-P-C4' energy: -28.779
flat angles P-C4'-P energy: -17.738
tors. eta vs tors. theta energy: -17.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -155.100036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.100036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.100036 (E_RNA)
where:
Base-Base interactions energy: -61.194
where: short stacking energy: -43.406
Base-Backbone interact. energy: -0.542
local terms energy: -93.363771
where:
bonds (distance) C4'-P energy: -29.089
bonds (distance) P-C4' energy: -25.933
flat angles C4'-P-C4' energy: -22.618
flat angles P-C4'-P energy: -16.725
tors. eta vs tors. theta energy: 1.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -207.137489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.137489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.137489 (E_RNA)
where:
Base-Base interactions energy: -103.655
where: short stacking energy: -55.846
Base-Backbone interact. energy: -0.519
local terms energy: -102.963912
where:
bonds (distance) C4'-P energy: -29.529
bonds (distance) P-C4' energy: -28.918
flat angles C4'-P-C4' energy: -26.193
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -6.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -532.317833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.317833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.317833 (E_RNA)
where:
Base-Base interactions energy: -378.996
where: short stacking energy: -152.632
Base-Backbone interact. energy: -0.585
local terms energy: -152.736784
where:
bonds (distance) C4'-P energy: -24.364
bonds (distance) P-C4' energy: -29.099
flat angles C4'-P-C4' energy: -31.063
flat angles P-C4'-P energy: -26.974
tors. eta vs tors. theta energy: -41.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -471.196295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.196295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.196295 (E_RNA)
where:
Base-Base interactions energy: -316.346
where: short stacking energy: -147.933
Base-Backbone interact. energy: -0.078
local terms energy: -154.772248
where:
bonds (distance) C4'-P energy: -29.751
bonds (distance) P-C4' energy: -35.277
flat angles C4'-P-C4' energy: -30.121
flat angles P-C4'-P energy: -16.035
tors. eta vs tors. theta energy: -43.589
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: 3, replica: 6
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -514.681455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.681455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.681455 (E_RNA)
where:
Base-Base interactions energy: -373.920
where: short stacking energy: -160.916
Base-Backbone interact. energy: -0.015
local terms energy: -140.746445
where:
bonds (distance) C4'-P energy: -20.353
bonds (distance) P-C4' energy: -22.674
flat angles C4'-P-C4' energy: -27.970
flat angles P-C4'-P energy: -21.758
tors. eta vs tors. theta energy: -47.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -452.980120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.980120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.980120 (E_RNA)
where:
Base-Base interactions energy: -314.970
where: short stacking energy: -121.155
Base-Backbone interact. energy: 0.373
local terms energy: -138.382769
where:
bonds (distance) C4'-P energy: -24.484
bonds (distance) P-C4' energy: -23.054
flat angles C4'-P-C4' energy: -28.067
flat angles P-C4'-P energy: -21.199
tors. eta vs tors. theta energy: -41.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -444.419973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.419973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.419973 (E_RNA)
where:
Base-Base interactions energy: -301.060
where: short stacking energy: -149.018
Base-Backbone interact. energy: -0.282
local terms energy: -143.078073
where:
bonds (distance) C4'-P energy: -24.699
bonds (distance) P-C4' energy: -23.844
flat angles C4'-P-C4' energy: -29.927
flat angles P-C4'-P energy: -22.024
tors. eta vs tors. theta energy: -42.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -394.380199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.380199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.380199 (E_RNA)
where:
Base-Base interactions energy: -269.818
where: short stacking energy: -117.860
Base-Backbone interact. energy: 0.064
local terms energy: -124.626179
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -26.795
flat angles C4'-P-C4' energy: -24.188
flat angles P-C4'-P energy: -23.317
tors. eta vs tors. theta energy: -31.188
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: 1
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -371.649037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.649037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.649037 (E_RNA)
where:
Base-Base interactions energy: -263.948
where: short stacking energy: -107.703
Base-Backbone interact. energy: -0.299
local terms energy: -107.401406
where:
bonds (distance) C4'-P energy: -25.083
bonds (distance) P-C4' energy: -22.548
flat angles C4'-P-C4' energy: -23.612
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -24.429
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: 4
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -320.638041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.638041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.638041 (E_RNA)
where:
Base-Base interactions energy: -208.506
where: short stacking energy: -90.590
Base-Backbone interact. energy: -0.025
local terms energy: -112.106917
where:
bonds (distance) C4'-P energy: -21.300
bonds (distance) P-C4' energy: -26.257
flat angles C4'-P-C4' energy: -21.986
flat angles P-C4'-P energy: -20.499
tors. eta vs tors. theta energy: -22.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -201.496641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.496641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.496641 (E_RNA)
where:
Base-Base interactions energy: -108.283
where: short stacking energy: -58.486
Base-Backbone interact. energy: -0.076
local terms energy: -93.137950
where:
bonds (distance) C4'-P energy: -19.032
bonds (distance) P-C4' energy: -18.360
flat angles C4'-P-C4' energy: -26.751
flat angles P-C4'-P energy: -17.248
tors. eta vs tors. theta energy: -11.747
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: 10
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -141.100318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.100318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.100318 (E_RNA)
where:
Base-Base interactions energy: -56.451
where: short stacking energy: -46.681
Base-Backbone interact. energy: -0.039
local terms energy: -84.611169
where:
bonds (distance) C4'-P energy: -21.486
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -21.672
flat angles P-C4'-P energy: -17.236
tors. eta vs tors. theta energy: -4.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -534.488840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.488840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.488840 (E_RNA)
where:
Base-Base interactions energy: -379.964
where: short stacking energy: -152.557
Base-Backbone interact. energy: -0.018
local terms energy: -154.506770
where:
bonds (distance) C4'-P energy: -25.175
bonds (distance) P-C4' energy: -28.115
flat angles C4'-P-C4' energy: -34.615
flat angles P-C4'-P energy: -23.048
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: 6
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -523.363247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.363247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.363247 (E_RNA)
where:
Base-Base interactions energy: -374.638
where: short stacking energy: -154.517
Base-Backbone interact. energy: -0.123
local terms energy: -148.602262
where:
bonds (distance) C4'-P energy: -27.005
bonds (distance) P-C4' energy: -30.347
flat angles C4'-P-C4' energy: -26.557
flat angles P-C4'-P energy: -17.067
tors. eta vs tors. theta energy: -47.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -479.441725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.441725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.441725 (E_RNA)
where:
Base-Base interactions energy: -341.070
where: short stacking energy: -153.757
Base-Backbone interact. energy: -0.889
local terms energy: -137.483094
where:
bonds (distance) C4'-P energy: -23.589
bonds (distance) P-C4' energy: -23.954
flat angles C4'-P-C4' energy: -32.465
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -44.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -456.521390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.521390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.521390 (E_RNA)
where:
Base-Base interactions energy: -302.780
where: short stacking energy: -139.693
Base-Backbone interact. energy: -0.547
local terms energy: -153.194978
where:
bonds (distance) C4'-P energy: -27.291
bonds (distance) P-C4' energy: -27.706
flat angles C4'-P-C4' energy: -27.299
flat angles P-C4'-P energy: -23.851
tors. eta vs tors. theta energy: -47.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -441.667170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.667170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.667170 (E_RNA)
where:
Base-Base interactions energy: -307.613
where: short stacking energy: -134.882
Base-Backbone interact. energy: -0.840
local terms energy: -133.214135
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -31.481
flat angles C4'-P-C4' energy: -31.613
flat angles P-C4'-P energy: -14.995
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: 6, replica: 1
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -392.752107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.752107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.752107 (E_RNA)
where:
Base-Base interactions energy: -275.796
where: short stacking energy: -124.081
Base-Backbone interact. energy: -0.021
local terms energy: -116.934388
where:
bonds (distance) C4'-P energy: -21.180
bonds (distance) P-C4' energy: -28.563
flat angles C4'-P-C4' energy: -29.884
flat angles P-C4'-P energy: -5.664
tors. eta vs tors. theta energy: -31.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -390.989545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.989545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.989545 (E_RNA)
where:
Base-Base interactions energy: -274.934
where: short stacking energy: -108.728
Base-Backbone interact. energy: -0.018
local terms energy: -116.037327
where:
bonds (distance) C4'-P energy: -26.420
bonds (distance) P-C4' energy: -28.510
flat angles C4'-P-C4' energy: -22.531
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -26.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -323.921295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.921295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.921295 (E_RNA)
where:
Base-Base interactions energy: -208.164
where: short stacking energy: -96.908
Base-Backbone interact. energy: -0.701
local terms energy: -115.055953
where:
bonds (distance) C4'-P energy: -27.211
bonds (distance) P-C4' energy: -24.257
flat angles C4'-P-C4' energy: -23.547
flat angles P-C4'-P energy: -19.469
tors. eta vs tors. theta energy: -20.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -223.221038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.221038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.221038 (E_RNA)
where:
Base-Base interactions energy: -128.367
where: short stacking energy: -65.906
Base-Backbone interact. energy: -0.897
local terms energy: -93.957138
where:
bonds (distance) C4'-P energy: -25.240
bonds (distance) P-C4' energy: -20.290
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -15.132
tors. eta vs tors. theta energy: -18.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -136.595633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.595633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.595633 (E_RNA)
where:
Base-Base interactions energy: -52.986
where: short stacking energy: -49.659
Base-Backbone interact. energy: 2.579
local terms energy: -86.188661
where:
bonds (distance) C4'-P energy: -20.021
bonds (distance) P-C4' energy: -19.578
flat angles C4'-P-C4' energy: -25.463
flat angles P-C4'-P energy: -17.794
tors. eta vs tors. theta energy: -3.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -533.819058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.819058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.819058 (E_RNA)
where:
Base-Base interactions energy: -376.679
where: short stacking energy: -160.750
Base-Backbone interact. energy: -0.005
local terms energy: -157.135415
where:
bonds (distance) C4'-P energy: -24.873
bonds (distance) P-C4' energy: -30.664
flat angles C4'-P-C4' energy: -30.417
flat angles P-C4'-P energy: -24.106
tors. eta vs tors. theta energy: -47.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -514.113285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.113285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.113285 (E_RNA)
where:
Base-Base interactions energy: -361.982
where: short stacking energy: -137.004
Base-Backbone interact. energy: -0.893
local terms energy: -151.238311
where:
bonds (distance) C4'-P energy: -26.165
bonds (distance) P-C4' energy: -33.011
flat angles C4'-P-C4' energy: -29.082
flat angles P-C4'-P energy: -23.433
tors. eta vs tors. theta energy: -39.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -480.914023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.914023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.914023 (E_RNA)
where:
Base-Base interactions energy: -326.801
where: short stacking energy: -143.646
Base-Backbone interact. energy: -0.595
local terms energy: -153.518218
where:
bonds (distance) C4'-P energy: -28.055
bonds (distance) P-C4' energy: -29.158
flat angles C4'-P-C4' energy: -31.769
flat angles P-C4'-P energy: -18.558
tors. eta vs tors. theta energy: -45.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -444.168956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.168956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.168956 (E_RNA)
where:
Base-Base interactions energy: -300.459
where: short stacking energy: -123.775
Base-Backbone interact. energy: -0.271
local terms energy: -143.438976
where:
bonds (distance) C4'-P energy: -27.542
bonds (distance) P-C4' energy: -23.075
flat angles C4'-P-C4' energy: -28.758
flat angles P-C4'-P energy: -24.179
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: 5, replica: 1
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -407.834136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.834136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.834136 (E_RNA)
where:
Base-Base interactions energy: -278.730
where: short stacking energy: -107.900
Base-Backbone interact. energy: -0.059
local terms energy: -129.044872
where:
bonds (distance) C4'-P energy: -32.710
bonds (distance) P-C4' energy: -27.762
flat angles C4'-P-C4' energy: -26.199
flat angles P-C4'-P energy: -19.533
tors. eta vs tors. theta energy: -22.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -445.488133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.488133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.488133 (E_RNA)
where:
Base-Base interactions energy: -310.081
where: short stacking energy: -132.715
Base-Backbone interact. energy: -0.511
local terms energy: -134.896478
where:
bonds (distance) C4'-P energy: -25.732
bonds (distance) P-C4' energy: -26.890
flat angles C4'-P-C4' energy: -23.464
flat angles P-C4'-P energy: -20.232
tors. eta vs tors. theta energy: -38.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -360.860200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.860200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.860200 (E_RNA)
where:
Base-Base interactions energy: -240.371
where: short stacking energy: -118.995
Base-Backbone interact. energy: -0.263
local terms energy: -120.226622
where:
bonds (distance) C4'-P energy: -28.511
bonds (distance) P-C4' energy: -23.107
flat angles C4'-P-C4' energy: -21.788
flat angles P-C4'-P energy: -20.039
tors. eta vs tors. theta energy: -26.782
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: 4
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -313.910107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.910107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.910107 (E_RNA)
where:
Base-Base interactions energy: -200.621
where: short stacking energy: -93.608
Base-Backbone interact. energy: -0.656
local terms energy: -112.633804
where:
bonds (distance) C4'-P energy: -22.521
bonds (distance) P-C4' energy: -27.494
flat angles C4'-P-C4' energy: -25.176
flat angles P-C4'-P energy: -17.936
tors. eta vs tors. theta energy: -19.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -207.557880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.557880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.557880 (E_RNA)
where:
Base-Base interactions energy: -122.989
where: short stacking energy: -67.616
Base-Backbone interact. energy: -0.218
local terms energy: -84.350933
where:
bonds (distance) C4'-P energy: -21.791
bonds (distance) P-C4' energy: -23.104
flat angles C4'-P-C4' energy: -22.873
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -10.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -138.696471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.696471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.696471 (E_RNA)
where:
Base-Base interactions energy: -55.281
where: short stacking energy: -42.903
Base-Backbone interact. energy: 0.787
local terms energy: -84.202756
where:
bonds (distance) C4'-P energy: -27.941
bonds (distance) P-C4' energy: -25.219
flat angles C4'-P-C4' energy: -22.354
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: 0.469
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: 163
Temperature: 0.900000
Total energy: -540.084909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.084909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.084909 (E_RNA)
where:
Base-Base interactions energy: -387.551
where: short stacking energy: -153.526
Base-Backbone interact. energy: -0.376
local terms energy: -152.157199
where:
bonds (distance) C4'-P energy: -24.944
bonds (distance) P-C4' energy: -31.703
flat angles C4'-P-C4' energy: -31.356
flat angles P-C4'-P energy: -19.626
tors. eta vs tors. theta energy: -44.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -522.489029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.489029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.489029 (E_RNA)
where:
Base-Base interactions energy: -371.452
where: short stacking energy: -156.239
Base-Backbone interact. energy: -0.316
local terms energy: -150.720151
where:
bonds (distance) C4'-P energy: -28.664
bonds (distance) P-C4' energy: -33.464
flat angles C4'-P-C4' energy: -30.916
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -46.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -462.044586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.044586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.044586 (E_RNA)
where:
Base-Base interactions energy: -318.656
where: short stacking energy: -148.638
Base-Backbone interact. energy: -0.378
local terms energy: -143.009811
where:
bonds (distance) C4'-P energy: -25.071
bonds (distance) P-C4' energy: -25.256
flat angles C4'-P-C4' energy: -32.394
flat angles P-C4'-P energy: -15.646
tors. eta vs tors. theta energy: -44.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -412.741780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.741780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.741780 (E_RNA)
where:
Base-Base interactions energy: -295.949
where: short stacking energy: -128.870
Base-Backbone interact. energy: -0.124
local terms energy: -116.669688
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -24.861
flat angles C4'-P-C4' energy: -29.646
flat angles P-C4'-P energy: -16.106
tors. eta vs tors. theta energy: -34.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -433.827476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.827476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.827476 (E_RNA)
where:
Base-Base interactions energy: -293.043
where: short stacking energy: -136.473
Base-Backbone interact. energy: -1.240
local terms energy: -139.544181
where:
bonds (distance) C4'-P energy: -24.451
bonds (distance) P-C4' energy: -26.430
flat angles C4'-P-C4' energy: -28.412
flat angles P-C4'-P energy: -18.426
tors. eta vs tors. theta energy: -41.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -432.168682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.168682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.168682 (E_RNA)
where:
Base-Base interactions energy: -303.055
where: short stacking energy: -123.423
Base-Backbone interact. energy: -1.246
local terms energy: -127.867676
where:
bonds (distance) C4'-P energy: -21.541
bonds (distance) P-C4' energy: -24.932
flat angles C4'-P-C4' energy: -28.206
flat angles P-C4'-P energy: -18.135
tors. eta vs tors. theta energy: -35.054
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: 7, replica: 8
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -381.554898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.554898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.554898 (E_RNA)
where:
Base-Base interactions energy: -263.617
where: short stacking energy: -113.001
Base-Backbone interact. energy: -0.231
local terms energy: -117.706925
where:
bonds (distance) C4'-P energy: -21.003
bonds (distance) P-C4' energy: -26.584
flat angles C4'-P-C4' energy: -26.537
flat angles P-C4'-P energy: -19.950
tors. eta vs tors. theta energy: -23.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -313.748647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.748647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.748647 (E_RNA)
where:
Base-Base interactions energy: -202.824
where: short stacking energy: -98.048
Base-Backbone interact. energy: -0.351
local terms energy: -110.573212
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -28.072
flat angles C4'-P-C4' energy: -29.259
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -20.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -216.751032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.751032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.751032 (E_RNA)
where:
Base-Base interactions energy: -114.221
where: short stacking energy: -62.448
Base-Backbone interact. energy: -0.762
local terms energy: -101.768094
where:
bonds (distance) C4'-P energy: -24.410
bonds (distance) P-C4' energy: -28.097
flat angles C4'-P-C4' energy: -24.771
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -12.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -157.110301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.110301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.110301 (E_RNA)
where:
Base-Base interactions energy: -65.950
where: short stacking energy: -61.960
Base-Backbone interact. energy: 2.333
local terms energy: -93.494152
where:
bonds (distance) C4'-P energy: -28.003
bonds (distance) P-C4' energy: -22.712
flat angles C4'-P-C4' energy: -24.041
flat angles P-C4'-P energy: -15.547
tors. eta vs tors. theta energy: -3.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -538.587144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.587144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.587144 (E_RNA)
where:
Base-Base interactions energy: -386.861
where: short stacking energy: -149.242
Base-Backbone interact. energy: -0.711
local terms energy: -151.015269
where:
bonds (distance) C4'-P energy: -27.941
bonds (distance) P-C4' energy: -23.555
flat angles C4'-P-C4' energy: -29.669
flat angles P-C4'-P energy: -23.683
tors. eta vs tors. theta energy: -46.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -535.650384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.650384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.650384 (E_RNA)
where:
Base-Base interactions energy: -374.994
where: short stacking energy: -158.885
Base-Backbone interact. energy: -0.945
local terms energy: -159.711312
where:
bonds (distance) C4'-P energy: -29.522
bonds (distance) P-C4' energy: -29.302
flat angles C4'-P-C4' energy: -34.517
flat angles P-C4'-P energy: -17.750
tors. eta vs tors. theta energy: -48.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -469.987838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.987838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.987838 (E_RNA)
where:
Base-Base interactions energy: -315.458
where: short stacking energy: -139.553
Base-Backbone interact. energy: -1.791
local terms energy: -152.738584
where:
bonds (distance) C4'-P energy: -27.390
bonds (distance) P-C4' energy: -28.191
flat angles C4'-P-C4' energy: -31.668
flat angles P-C4'-P energy: -21.423
tors. eta vs tors. theta energy: -44.067
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: 164
Temperature: 1.050000
Total energy: -418.308143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.308143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.308143 (E_RNA)
where:
Base-Base interactions energy: -291.029
where: short stacking energy: -114.549
Base-Backbone interact. energy: -1.275
local terms energy: -126.003596
where:
bonds (distance) C4'-P energy: -26.636
bonds (distance) P-C4' energy: -28.572
flat angles C4'-P-C4' energy: -23.653
flat angles P-C4'-P energy: -18.108
tors. eta vs tors. theta energy: -29.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -438.882377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.882377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.882377 (E_RNA)
where:
Base-Base interactions energy: -292.382
where: short stacking energy: -123.418
Base-Backbone interact. energy: -1.409
local terms energy: -145.091295
where:
bonds (distance) C4'-P energy: -31.699
bonds (distance) P-C4' energy: -26.761
flat angles C4'-P-C4' energy: -32.427
flat angles P-C4'-P energy: -18.077
tors. eta vs tors. theta energy: -36.128
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: 9
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -438.147755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.147755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.147755 (E_RNA)
where:
Base-Base interactions energy: -310.629
where: short stacking energy: -142.693
Base-Backbone interact. energy: -0.089
local terms energy: -127.429474
where:
bonds (distance) C4'-P energy: -30.333
bonds (distance) P-C4' energy: -21.454
flat angles C4'-P-C4' energy: -25.888
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -37.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -388.791370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.791370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.791370 (E_RNA)
where:
Base-Base interactions energy: -268.696
where: short stacking energy: -108.256
Base-Backbone interact. energy: -0.362
local terms energy: -119.733559
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -26.465
flat angles C4'-P-C4' energy: -33.436
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -30.305
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: 4
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -322.352182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.352182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.352182 (E_RNA)
where:
Base-Base interactions energy: -216.056
where: short stacking energy: -96.310
Base-Backbone interact. energy: -0.552
local terms energy: -105.744278
where:
bonds (distance) C4'-P energy: -19.294
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -29.060
flat angles P-C4'-P energy: -17.988
tors. eta vs tors. theta energy: -22.946
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: 5
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -211.297279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.297279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.297279 (E_RNA)
where:
Base-Base interactions energy: -112.068
where: short stacking energy: -65.644
Base-Backbone interact. energy: -0.246
local terms energy: -98.982857
where:
bonds (distance) C4'-P energy: -23.705
bonds (distance) P-C4' energy: -21.328
flat angles C4'-P-C4' energy: -30.333
flat angles P-C4'-P energy: -17.744
tors. eta vs tors. theta energy: -5.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -134.626112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.626112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.626112 (E_RNA)
where:
Base-Base interactions energy: -66.008
where: short stacking energy: -51.081
Base-Backbone interact. energy: 2.936
local terms energy: -71.554701
where:
bonds (distance) C4'-P energy: -22.035
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -24.191
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: 7.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -536.148151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.148151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.148151 (E_RNA)
where:
Base-Base interactions energy: -385.147
where: short stacking energy: -157.934
Base-Backbone interact. energy: -0.239
local terms energy: -150.762459
where:
bonds (distance) C4'-P energy: -23.371
bonds (distance) P-C4' energy: -33.469
flat angles C4'-P-C4' energy: -26.667
flat angles P-C4'-P energy: -22.482
tors. eta vs tors. theta energy: -44.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -526.533304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.533304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.533304 (E_RNA)
where:
Base-Base interactions energy: -369.900
where: short stacking energy: -162.360
Base-Backbone interact. energy: -0.005
local terms energy: -156.628260
where:
bonds (distance) C4'-P energy: -25.743
bonds (distance) P-C4' energy: -29.062
flat angles C4'-P-C4' energy: -32.701
flat angles P-C4'-P energy: -21.711
tors. eta vs tors. theta energy: -47.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -460.074474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.074474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.074474 (E_RNA)
where:
Base-Base interactions energy: -303.057
where: short stacking energy: -139.203
Base-Backbone interact. energy: -0.955
local terms energy: -156.063054
where:
bonds (distance) C4'-P energy: -28.615
bonds (distance) P-C4' energy: -22.567
flat angles C4'-P-C4' energy: -35.656
flat angles P-C4'-P energy: -23.206
tors. eta vs tors. theta energy: -46.019
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: 3
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -443.100537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.100537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.100537 (E_RNA)
where:
Base-Base interactions energy: -297.082
where: short stacking energy: -140.183
Base-Backbone interact. energy: -0.012
local terms energy: -146.005815
where:
bonds (distance) C4'-P energy: -30.779
bonds (distance) P-C4' energy: -27.252
flat angles C4'-P-C4' energy: -29.449
flat angles P-C4'-P energy: -18.806
tors. eta vs tors. theta energy: -39.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -416.011948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.011948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.011948 (E_RNA)
where:
Base-Base interactions energy: -285.469
where: short stacking energy: -120.728
Base-Backbone interact. energy: -0.753
local terms energy: -129.789649
where:
bonds (distance) C4'-P energy: -23.733
bonds (distance) P-C4' energy: -24.204
flat angles C4'-P-C4' energy: -30.910
flat angles P-C4'-P energy: -19.919
tors. eta vs tors. theta energy: -31.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -432.188976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.188976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.188976 (E_RNA)
where:
Base-Base interactions energy: -312.937
where: short stacking energy: -121.330
Base-Backbone interact. energy: -0.761
local terms energy: -118.491133
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -23.653
flat angles C4'-P-C4' energy: -23.484
flat angles P-C4'-P energy: -19.639
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: 7, replica: 8
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -374.565568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.565568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.565568 (E_RNA)
where:
Base-Base interactions energy: -252.176
where: short stacking energy: -125.635
Base-Backbone interact. energy: -0.039
local terms energy: -122.351024
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -28.858
flat angles C4'-P-C4' energy: -21.551
flat angles P-C4'-P energy: -15.161
tors. eta vs tors. theta energy: -38.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -343.667434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.667434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.667434 (E_RNA)
where:
Base-Base interactions energy: -229.800
where: short stacking energy: -102.979
Base-Backbone interact. energy: -0.132
local terms energy: -113.735407
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -23.237
flat angles C4'-P-C4' energy: -20.725
flat angles P-C4'-P energy: -19.894
tors. eta vs tors. theta energy: -27.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -228.348695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.348695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.348695 (E_RNA)
where:
Base-Base interactions energy: -142.434
where: short stacking energy: -54.708
Base-Backbone interact. energy: 1.843
local terms energy: -87.757526
where:
bonds (distance) C4'-P energy: -24.885
bonds (distance) P-C4' energy: -18.856
flat angles C4'-P-C4' energy: -19.954
flat angles P-C4'-P energy: -13.851
tors. eta vs tors. theta energy: -10.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -134.946984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.946984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.946984 (E_RNA)
where:
Base-Base interactions energy: -44.725
where: short stacking energy: -39.799
Base-Backbone interact. energy: -0.068
local terms energy: -90.154128
where:
bonds (distance) C4'-P energy: -21.160
bonds (distance) P-C4' energy: -25.362
flat angles C4'-P-C4' energy: -26.920
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -8.809
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: 7
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -529.906871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.906871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.906871 (E_RNA)
where:
Base-Base interactions energy: -372.216
where: short stacking energy: -157.081
Base-Backbone interact. energy: 0.702
local terms energy: -158.393493
where:
bonds (distance) C4'-P energy: -25.970
bonds (distance) P-C4' energy: -31.448
flat angles C4'-P-C4' energy: -30.465
flat angles P-C4'-P energy: -23.793
tors. eta vs tors. theta energy: -46.718
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: 6
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -528.888472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.888472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.888472 (E_RNA)
where:
Base-Base interactions energy: -369.620
where: short stacking energy: -142.525
Base-Backbone interact. energy: -0.265
local terms energy: -159.002606
where:
bonds (distance) C4'-P energy: -33.744
bonds (distance) P-C4' energy: -29.107
flat angles C4'-P-C4' energy: -29.366
flat angles P-C4'-P energy: -20.433
tors. eta vs tors. theta energy: -46.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -455.831195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.831195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.831195 (E_RNA)
where:
Base-Base interactions energy: -310.132
where: short stacking energy: -145.810
Base-Backbone interact. energy: -0.225
local terms energy: -145.474731
where:
bonds (distance) C4'-P energy: -31.378
bonds (distance) P-C4' energy: -26.411
flat angles C4'-P-C4' energy: -27.257
flat angles P-C4'-P energy: -21.872
tors. eta vs tors. theta energy: -38.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -445.050279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.050279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.050279 (E_RNA)
where:
Base-Base interactions energy: -308.711
where: short stacking energy: -134.419
Base-Backbone interact. energy: -0.703
local terms energy: -135.636175
where:
bonds (distance) C4'-P energy: -19.395
bonds (distance) P-C4' energy: -26.762
flat angles C4'-P-C4' energy: -34.274
flat angles P-C4'-P energy: -20.319
tors. eta vs tors. theta energy: -34.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -437.372392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.372392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.372392 (E_RNA)
where:
Base-Base interactions energy: -301.233
where: short stacking energy: -123.458
Base-Backbone interact. energy: -0.942
local terms energy: -135.197360
where:
bonds (distance) C4'-P energy: -25.527
bonds (distance) P-C4' energy: -25.468
flat angles C4'-P-C4' energy: -30.792
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -39.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -392.526442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.526442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.526442 (E_RNA)
where:
Base-Base interactions energy: -270.678
where: short stacking energy: -108.068
Base-Backbone interact. energy: 0.630
local terms energy: -122.479144
where:
bonds (distance) C4'-P energy: -25.497
bonds (distance) P-C4' energy: -28.171
flat angles C4'-P-C4' energy: -29.349
flat angles P-C4'-P energy: -14.785
tors. eta vs tors. theta energy: -24.678
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: 4
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -375.516182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.516182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.516182 (E_RNA)
where:
Base-Base interactions energy: -259.230
where: short stacking energy: -104.977
Base-Backbone interact. energy: -1.497
local terms energy: -114.789427
where:
bonds (distance) C4'-P energy: -21.409
bonds (distance) P-C4' energy: -24.681
flat angles C4'-P-C4' energy: -22.819
flat angles P-C4'-P energy: -22.732
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: 8, replica: 8
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -372.675790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.675790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.675790 (E_RNA)
where:
Base-Base interactions energy: -243.720
where: short stacking energy: -107.627
Base-Backbone interact. energy: -0.104
local terms energy: -128.851185
where:
bonds (distance) C4'-P energy: -27.104
bonds (distance) P-C4' energy: -29.878
flat angles C4'-P-C4' energy: -27.880
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -30.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -207.865795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.865795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.865795 (E_RNA)
where:
Base-Base interactions energy: -109.827
where: short stacking energy: -53.097
Base-Backbone interact. energy: -0.406
local terms energy: -97.632945
where:
bonds (distance) C4'-P energy: -24.206
bonds (distance) P-C4' energy: -27.386
flat angles C4'-P-C4' energy: -25.683
flat angles P-C4'-P energy: -16.293
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: 10
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -143.009597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.009597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.009597 (E_RNA)
where:
Base-Base interactions energy: -47.136
where: short stacking energy: -34.433
Base-Backbone interact. energy: -0.950
local terms energy: -94.923196
where:
bonds (distance) C4'-P energy: -27.874
bonds (distance) P-C4' energy: -29.767
flat angles C4'-P-C4' energy: -23.968
flat angles P-C4'-P energy: -15.757
tors. eta vs tors. theta energy: 2.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -534.789953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.789953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.789953 (E_RNA)
where:
Base-Base interactions energy: -376.970
where: short stacking energy: -144.290
Base-Backbone interact. energy: -0.203
local terms energy: -157.616646
where:
bonds (distance) C4'-P energy: -32.772
bonds (distance) P-C4' energy: -25.743
flat angles C4'-P-C4' energy: -31.281
flat angles P-C4'-P energy: -23.045
tors. eta vs tors. theta energy: -44.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -525.882507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.882507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.882507 (E_RNA)
where:
Base-Base interactions energy: -373.840
where: short stacking energy: -147.971
Base-Backbone interact. energy: -0.154
local terms energy: -151.888090
where:
bonds (distance) C4'-P energy: -28.528
bonds (distance) P-C4' energy: -25.649
flat angles C4'-P-C4' energy: -27.837
flat angles P-C4'-P energy: -22.229
tors. eta vs tors. theta energy: -47.646
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: 167
Temperature: 1.000000
Total energy: -466.269424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.269424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.269424 (E_RNA)
where:
Base-Base interactions energy: -313.922
where: short stacking energy: -141.170
Base-Backbone interact. energy: -1.885
local terms energy: -150.462280
where:
bonds (distance) C4'-P energy: -27.370
bonds (distance) P-C4' energy: -33.095
flat angles C4'-P-C4' energy: -29.441
flat angles P-C4'-P energy: -17.838
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: 4, replica: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -461.335041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.335041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.335041 (E_RNA)
where:
Base-Base interactions energy: -312.972
where: short stacking energy: -132.232
Base-Backbone interact. energy: -0.342
local terms energy: -148.021612
where:
bonds (distance) C4'-P energy: -22.527
bonds (distance) P-C4' energy: -30.245
flat angles C4'-P-C4' energy: -33.585
flat angles P-C4'-P energy: -20.435
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: 5, replica: 9
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -427.468595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.468595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.468595 (E_RNA)
where:
Base-Base interactions energy: -301.716
where: short stacking energy: -117.045
Base-Backbone interact. energy: -0.188
local terms energy: -125.564671
where:
bonds (distance) C4'-P energy: -23.349
bonds (distance) P-C4' energy: -27.706
flat angles C4'-P-C4' energy: -25.883
flat angles P-C4'-P energy: -15.758
tors. eta vs tors. theta energy: -32.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -391.877040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.877040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.877040 (E_RNA)
where:
Base-Base interactions energy: -272.687
where: short stacking energy: -124.493
Base-Backbone interact. energy: -0.412
local terms energy: -118.777705
where:
bonds (distance) C4'-P energy: -22.510
bonds (distance) P-C4' energy: -27.255
flat angles C4'-P-C4' energy: -20.256
flat angles P-C4'-P energy: -18.557
tors. eta vs tors. theta energy: -30.199
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: 1
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -413.444749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.444749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.444749 (E_RNA)
where:
Base-Base interactions energy: -306.807
where: short stacking energy: -120.474
Base-Backbone interact. energy: -0.587
local terms energy: -106.050942
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -25.150
flat angles P-C4'-P energy: -18.533
tors. eta vs tors. theta energy: -31.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -390.883640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.883640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.883640 (E_RNA)
where:
Base-Base interactions energy: -277.594
where: short stacking energy: -119.425
Base-Backbone interact. energy: -0.197
local terms energy: -113.093590
where:
bonds (distance) C4'-P energy: -24.602
bonds (distance) P-C4' energy: -20.449
flat angles C4'-P-C4' energy: -23.268
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -30.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -204.554830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.554830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.554830 (E_RNA)
where:
Base-Base interactions energy: -101.485
where: short stacking energy: -53.420
Base-Backbone interact. energy: -0.325
local terms energy: -102.744886
where:
bonds (distance) C4'-P energy: -29.368
bonds (distance) P-C4' energy: -24.945
flat angles C4'-P-C4' energy: -23.029
flat angles P-C4'-P energy: -20.378
tors. eta vs tors. theta energy: -5.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -130.786239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.786239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.786239 (E_RNA)
where:
Base-Base interactions energy: -48.674
where: short stacking energy: -40.097
Base-Backbone interact. energy: 2.093
local terms energy: -84.205409
where:
bonds (distance) C4'-P energy: -24.950
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -23.887
flat angles P-C4'-P energy: -16.180
tors. eta vs tors. theta energy: -0.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -534.263509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.263509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.263509 (E_RNA)
where:
Base-Base interactions energy: -378.180
where: short stacking energy: -165.461
Base-Backbone interact. energy: -0.006
local terms energy: -156.077689
where:
bonds (distance) C4'-P energy: -22.014
bonds (distance) P-C4' energy: -26.716
flat angles C4'-P-C4' energy: -34.187
flat angles P-C4'-P energy: -24.383
tors. eta vs tors. theta energy: -48.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -527.294199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.294199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.294199 (E_RNA)
where:
Base-Base interactions energy: -380.898
where: short stacking energy: -162.409
Base-Backbone interact. energy: -1.486
local terms energy: -144.910209
where:
bonds (distance) C4'-P energy: -28.525
bonds (distance) P-C4' energy: -20.811
flat angles C4'-P-C4' energy: -27.626
flat angles P-C4'-P energy: -22.662
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: 3, replica: 3
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -459.680449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.680449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.680449 (E_RNA)
where:
Base-Base interactions energy: -315.930
where: short stacking energy: -145.961
Base-Backbone interact. energy: 0.705
local terms energy: -144.456114
where:
bonds (distance) C4'-P energy: -23.609
bonds (distance) P-C4' energy: -26.500
flat angles C4'-P-C4' energy: -33.191
flat angles P-C4'-P energy: -17.710
tors. eta vs tors. theta energy: -43.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -426.737697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.737697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.737697 (E_RNA)
where:
Base-Base interactions energy: -286.146
where: short stacking energy: -132.122
Base-Backbone interact. energy: -0.453
local terms energy: -140.139237
where:
bonds (distance) C4'-P energy: -28.204
bonds (distance) P-C4' energy: -26.339
flat angles C4'-P-C4' energy: -28.210
flat angles P-C4'-P energy: -19.115
tors. eta vs tors. theta energy: -38.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -392.794423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.794423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.794423 (E_RNA)
where:
Base-Base interactions energy: -273.921
where: short stacking energy: -120.413
Base-Backbone interact. energy: -0.501
local terms energy: -118.371858
where:
bonds (distance) C4'-P energy: -26.322
bonds (distance) P-C4' energy: -20.357
flat angles C4'-P-C4' energy: -31.423
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -26.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -408.411380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.411380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.411380 (E_RNA)
where:
Base-Base interactions energy: -279.111
where: short stacking energy: -120.794
Base-Backbone interact. energy: -0.056
local terms energy: -129.243854
where:
bonds (distance) C4'-P energy: -23.022
bonds (distance) P-C4' energy: -30.696
flat angles C4'-P-C4' energy: -23.558
flat angles P-C4'-P energy: -19.428
tors. eta vs tors. theta energy: -32.541
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: 7, replica: 1
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -417.673228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.673228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.673228 (E_RNA)
where:
Base-Base interactions energy: -290.410
where: short stacking energy: -112.933
Base-Backbone interact. energy: -0.180
local terms energy: -127.082707
where:
bonds (distance) C4'-P energy: -24.660
bonds (distance) P-C4' energy: -21.710
flat angles C4'-P-C4' energy: -34.054
flat angles P-C4'-P energy: -17.260
tors. eta vs tors. theta energy: -29.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -395.014361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.014361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.014361 (E_RNA)
where:
Base-Base interactions energy: -270.121
where: short stacking energy: -123.401
Base-Backbone interact. energy: -0.041
local terms energy: -124.852011
where:
bonds (distance) C4'-P energy: -26.140
bonds (distance) P-C4' energy: -28.280
flat angles C4'-P-C4' energy: -26.730
flat angles P-C4'-P energy: -14.689
tors. eta vs tors. theta energy: -29.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -204.078015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.078015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.078015 (E_RNA)
where:
Base-Base interactions energy: -118.558
where: short stacking energy: -57.642
Base-Backbone interact. energy: -0.567
local terms energy: -84.953405
where:
bonds (distance) C4'-P energy: -22.935
bonds (distance) P-C4' energy: -25.197
flat angles C4'-P-C4' energy: -26.283
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -2.817
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: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -130.553927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.553927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.553927 (E_RNA)
where:
Base-Base interactions energy: -43.240
where: short stacking energy: -28.421
Base-Backbone interact. energy: -1.435
local terms energy: -85.878490
where:
bonds (distance) C4'-P energy: -18.594
bonds (distance) P-C4' energy: -29.545
flat angles C4'-P-C4' energy: -29.053
flat angles P-C4'-P energy: -14.947
tors. eta vs tors. theta energy: 6.259
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: 169
Temperature: 0.900000
Total energy: -538.040355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.040355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.040355 (E_RNA)
where:
Base-Base interactions energy: -375.171
where: short stacking energy: -157.845
Base-Backbone interact. energy: 0.411
local terms energy: -163.280315
where:
bonds (distance) C4'-P energy: -32.992
bonds (distance) P-C4' energy: -27.987
flat angles C4'-P-C4' energy: -32.386
flat angles P-C4'-P energy: -23.786
tors. eta vs tors. theta energy: -46.129
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: 7
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -528.848731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.848731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.848731 (E_RNA)
where:
Base-Base interactions energy: -372.103
where: short stacking energy: -154.454
Base-Backbone interact. energy: -0.002
local terms energy: -156.743736
where:
bonds (distance) C4'-P energy: -29.286
bonds (distance) P-C4' energy: -26.964
flat angles C4'-P-C4' energy: -34.501
flat angles P-C4'-P energy: -22.059
tors. eta vs tors. theta energy: -43.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -460.784978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.784978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.784978 (E_RNA)
where:
Base-Base interactions energy: -318.279
where: short stacking energy: -134.518
Base-Backbone interact. energy: -0.309
local terms energy: -142.196755
where:
bonds (distance) C4'-P energy: -25.005
bonds (distance) P-C4' energy: -28.089
flat angles C4'-P-C4' energy: -28.165
flat angles P-C4'-P energy: -25.352
tors. eta vs tors. theta energy: -35.586
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: 2
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -455.095303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.095303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.095303 (E_RNA)
where:
Base-Base interactions energy: -309.606
where: short stacking energy: -137.850
Base-Backbone interact. energy: -0.004
local terms energy: -145.484809
where:
bonds (distance) C4'-P energy: -33.057
bonds (distance) P-C4' energy: -20.885
flat angles C4'-P-C4' energy: -27.014
flat angles P-C4'-P energy: -19.928
tors. eta vs tors. theta energy: -44.600
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: 5, replica: 4
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -392.938135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.938135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.938135 (E_RNA)
where:
Base-Base interactions energy: -281.419
where: short stacking energy: -122.039
Base-Backbone interact. energy: 0.052
local terms energy: -111.571797
where:
bonds (distance) C4'-P energy: -19.887
bonds (distance) P-C4' energy: -26.246
flat angles C4'-P-C4' energy: -25.371
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -30.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -410.675509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.675509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.675509 (E_RNA)
where:
Base-Base interactions energy: -283.724
where: short stacking energy: -113.069
Base-Backbone interact. energy: 0.221
local terms energy: -127.172312
where:
bonds (distance) C4'-P energy: -23.911
bonds (distance) P-C4' energy: -26.003
flat angles C4'-P-C4' energy: -29.584
flat angles P-C4'-P energy: -18.446
tors. eta vs tors. theta energy: -29.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -391.038509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.038509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.038509 (E_RNA)
where:
Base-Base interactions energy: -268.772
where: short stacking energy: -109.689
Base-Backbone interact. energy: -0.536
local terms energy: -121.730917
where:
bonds (distance) C4'-P energy: -26.466
bonds (distance) P-C4' energy: -23.027
flat angles C4'-P-C4' energy: -22.993
flat angles P-C4'-P energy: -18.589
tors. eta vs tors. theta energy: -30.656
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: 8
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -392.339559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.339559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.339559 (E_RNA)
where:
Base-Base interactions energy: -274.931
where: short stacking energy: -114.337
Base-Backbone interact. energy: -0.090
local terms energy: -117.318262
where:
bonds (distance) C4'-P energy: -24.979
bonds (distance) P-C4' energy: -24.132
flat angles C4'-P-C4' energy: -22.170
flat angles P-C4'-P energy: -17.414
tors. eta vs tors. theta energy: -28.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -224.027973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.027973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.027973 (E_RNA)
where:
Base-Base interactions energy: -114.562
where: short stacking energy: -74.416
Base-Backbone interact. energy: -0.214
local terms energy: -109.251719
where:
bonds (distance) C4'-P energy: -28.566
bonds (distance) P-C4' energy: -27.657
flat angles C4'-P-C4' energy: -24.571
flat angles P-C4'-P energy: -17.636
tors. eta vs tors. theta energy: -10.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -133.716281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.716281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.716281 (E_RNA)
where:
Base-Base interactions energy: -54.404
where: short stacking energy: -45.727
Base-Backbone interact. energy: 0.982
local terms energy: -80.294628
where:
bonds (distance) C4'-P energy: -25.607
bonds (distance) P-C4' energy: -25.764
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: 1.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -531.716692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.716692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.716692 (E_RNA)
where:
Base-Base interactions energy: -375.217
where: short stacking energy: -159.025
Base-Backbone interact. energy: -0.010
local terms energy: -156.490038
where:
bonds (distance) C4'-P energy: -29.009
bonds (distance) P-C4' energy: -28.758
flat angles C4'-P-C4' energy: -29.671
flat angles P-C4'-P energy: -24.154
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: 2, replica: 6
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -532.414428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.414428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.414428 (E_RNA)
where:
Base-Base interactions energy: -371.629
where: short stacking energy: -158.820
Base-Backbone interact. energy: -1.182
local terms energy: -159.603997
where:
bonds (distance) C4'-P energy: -29.460
bonds (distance) P-C4' energy: -25.429
flat angles C4'-P-C4' energy: -31.429
flat angles P-C4'-P energy: -24.082
tors. eta vs tors. theta energy: -49.204
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: 3
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -460.877170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.877170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.877170 (E_RNA)
where:
Base-Base interactions energy: -317.613
where: short stacking energy: -134.285
Base-Backbone interact. energy: -0.784
local terms energy: -142.479934
where:
bonds (distance) C4'-P energy: -29.716
bonds (distance) P-C4' energy: -24.187
flat angles C4'-P-C4' energy: -29.424
flat angles P-C4'-P energy: -21.062
tors. eta vs tors. theta energy: -38.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -446.543802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.543802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.543802 (E_RNA)
where:
Base-Base interactions energy: -290.770
where: short stacking energy: -131.267
Base-Backbone interact. energy: -0.866
local terms energy: -154.907309
where:
bonds (distance) C4'-P energy: -28.896
bonds (distance) P-C4' energy: -30.477
flat angles C4'-P-C4' energy: -34.456
flat angles P-C4'-P energy: -21.951
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: 1
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -408.154616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.154616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.154616 (E_RNA)
where:
Base-Base interactions energy: -280.073
where: short stacking energy: -118.378
Base-Backbone interact. energy: 0.233
local terms energy: -128.314749
where:
bonds (distance) C4'-P energy: -28.981
bonds (distance) P-C4' energy: -25.216
flat angles C4'-P-C4' energy: -29.786
flat angles P-C4'-P energy: -15.517
tors. eta vs tors. theta energy: -28.815
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: 4
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -414.240753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.240753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.240753 (E_RNA)
where:
Base-Base interactions energy: -284.844
where: short stacking energy: -119.335
Base-Backbone interact. energy: 0.652
local terms energy: -130.048290
where:
bonds (distance) C4'-P energy: -24.521
bonds (distance) P-C4' energy: -25.339
flat angles C4'-P-C4' energy: -27.457
flat angles P-C4'-P energy: -20.089
tors. eta vs tors. theta energy: -32.642
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: 9
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -399.077195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.077195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.077195 (E_RNA)
where:
Base-Base interactions energy: -280.257
where: short stacking energy: -115.142
Base-Backbone interact. energy: 0.893
local terms energy: -119.712587
where:
bonds (distance) C4'-P energy: -22.104
bonds (distance) P-C4' energy: -27.263
flat angles C4'-P-C4' energy: -23.511
flat angles P-C4'-P energy: -17.892
tors. eta vs tors. theta energy: -28.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -376.655654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.655654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.655654 (E_RNA)
where:
Base-Base interactions energy: -244.957
where: short stacking energy: -115.089
Base-Backbone interact. energy: -0.327
local terms energy: -131.371727
where:
bonds (distance) C4'-P energy: -28.589
bonds (distance) P-C4' energy: -24.834
flat angles C4'-P-C4' energy: -23.361
flat angles P-C4'-P energy: -22.989
tors. eta vs tors. theta energy: -31.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -210.163938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.163938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.163938 (E_RNA)
where:
Base-Base interactions energy: -117.709
where: short stacking energy: -53.140
Base-Backbone interact. energy: -2.158
local terms energy: -90.297003
where:
bonds (distance) C4'-P energy: -30.134
bonds (distance) P-C4' energy: -22.940
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -16.220
tors. eta vs tors. theta energy: -6.908
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: 10
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -133.189223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.189223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.189223 (E_RNA)
where:
Base-Base interactions energy: -48.406
where: short stacking energy: -41.834
Base-Backbone interact. energy: 1.621
local terms energy: -86.404449
where:
bonds (distance) C4'-P energy: -28.249
bonds (distance) P-C4' energy: -22.500
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -16.935
tors. eta vs tors. theta energy: -2.756
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: 7
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -531.948505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.948505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.948505 (E_RNA)
where:
Base-Base interactions energy: -374.126
where: short stacking energy: -156.177
Base-Backbone interact. energy: -0.878
local terms energy: -156.943644
where:
bonds (distance) C4'-P energy: -31.388
bonds (distance) P-C4' energy: -27.435
flat angles C4'-P-C4' energy: -32.133
flat angles P-C4'-P energy: -21.712
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: 2, replica: 6
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -524.732187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.732187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.732187 (E_RNA)
where:
Base-Base interactions energy: -375.239
where: short stacking energy: -159.642
Base-Backbone interact. energy: -0.196
local terms energy: -149.297144
where:
bonds (distance) C4'-P energy: -28.549
bonds (distance) P-C4' energy: -23.520
flat angles C4'-P-C4' energy: -28.662
flat angles P-C4'-P energy: -19.836
tors. eta vs tors. theta energy: -48.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -455.485037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.485037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.485037 (E_RNA)
where:
Base-Base interactions energy: -317.928
where: short stacking energy: -143.744
Base-Backbone interact. energy: 0.135
local terms energy: -137.691224
where:
bonds (distance) C4'-P energy: -26.793
bonds (distance) P-C4' energy: -20.416
flat angles C4'-P-C4' energy: -30.508
flat angles P-C4'-P energy: -22.069
tors. eta vs tors. theta energy: -37.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -439.668896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.668896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.668896 (E_RNA)
where:
Base-Base interactions energy: -296.724
where: short stacking energy: -135.390
Base-Backbone interact. energy: -0.099
local terms energy: -142.845856
where:
bonds (distance) C4'-P energy: -21.298
bonds (distance) P-C4' energy: -29.699
flat angles C4'-P-C4' energy: -32.227
flat angles P-C4'-P energy: -17.438
tors. eta vs tors. theta energy: -42.183
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: 171
Temperature: 1.100000
Total energy: -411.040413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.040413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.040413 (E_RNA)
where:
Base-Base interactions energy: -282.933
where: short stacking energy: -116.576
Base-Backbone interact. energy: -0.750
local terms energy: -127.356669
where:
bonds (distance) C4'-P energy: -26.185
bonds (distance) P-C4' energy: -26.830
flat angles C4'-P-C4' energy: -28.239
flat angles P-C4'-P energy: -19.409
tors. eta vs tors. theta energy: -26.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -401.549761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.549761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.549761 (E_RNA)
where:
Base-Base interactions energy: -286.030
where: short stacking energy: -115.091
Base-Backbone interact. energy: -0.736
local terms energy: -114.783521
where:
bonds (distance) C4'-P energy: -22.418
bonds (distance) P-C4' energy: -20.509
flat angles C4'-P-C4' energy: -29.857
flat angles P-C4'-P energy: -14.252
tors. eta vs tors. theta energy: -27.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -381.728295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.728295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.728295 (E_RNA)
where:
Base-Base interactions energy: -268.755
where: short stacking energy: -113.396
Base-Backbone interact. energy: -0.394
local terms energy: -112.579844
where:
bonds (distance) C4'-P energy: -19.719
bonds (distance) P-C4' energy: -25.243
flat angles C4'-P-C4' energy: -22.403
flat angles P-C4'-P energy: -14.204
tors. eta vs tors. theta energy: -31.011
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: 8
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -380.273995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.273995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.273995 (E_RNA)
where:
Base-Base interactions energy: -252.673
where: short stacking energy: -107.014
Base-Backbone interact. energy: -0.224
local terms energy: -127.377158
where:
bonds (distance) C4'-P energy: -21.763
bonds (distance) P-C4' energy: -29.206
flat angles C4'-P-C4' energy: -24.851
flat angles P-C4'-P energy: -23.208
tors. eta vs tors. theta energy: -28.350
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: 5
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -207.956905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.956905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.956905 (E_RNA)
where:
Base-Base interactions energy: -112.747
where: short stacking energy: -60.772
Base-Backbone interact. energy: -0.502
local terms energy: -94.707382
where:
bonds (distance) C4'-P energy: -25.432
bonds (distance) P-C4' energy: -21.825
flat angles C4'-P-C4' energy: -21.659
flat angles P-C4'-P energy: -15.645
tors. eta vs tors. theta energy: -10.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -137.728264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.728264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.728264 (E_RNA)
where:
Base-Base interactions energy: -63.612
where: short stacking energy: -42.939
Base-Backbone interact. energy: -0.671
local terms energy: -73.445254
where:
bonds (distance) C4'-P energy: -23.817
bonds (distance) P-C4' energy: -21.097
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -2.207
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: 7
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -533.504827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.504827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.504827 (E_RNA)
where:
Base-Base interactions energy: -376.200
where: short stacking energy: -158.253
Base-Backbone interact. energy: -0.626
local terms energy: -156.678473
where:
bonds (distance) C4'-P energy: -25.548
bonds (distance) P-C4' energy: -30.330
flat angles C4'-P-C4' energy: -31.775
flat angles P-C4'-P energy: -24.666
tors. eta vs tors. theta energy: -44.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -526.643556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.643556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.643556 (E_RNA)
where:
Base-Base interactions energy: -378.381
where: short stacking energy: -155.981
Base-Backbone interact. energy: -0.008
local terms energy: -148.254337
where:
bonds (distance) C4'-P energy: -24.902
bonds (distance) P-C4' energy: -23.458
flat angles C4'-P-C4' energy: -32.169
flat angles P-C4'-P energy: -20.240
tors. eta vs tors. theta energy: -47.486
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: 3
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -455.797507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.797507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.797507 (E_RNA)
where:
Base-Base interactions energy: -312.428
where: short stacking energy: -135.758
Base-Backbone interact. energy: -0.375
local terms energy: -142.994354
where:
bonds (distance) C4'-P energy: -22.201
bonds (distance) P-C4' energy: -26.824
flat angles C4'-P-C4' energy: -32.168
flat angles P-C4'-P energy: -21.621
tors. eta vs tors. theta energy: -40.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -441.080719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.080719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.080719 (E_RNA)
where:
Base-Base interactions energy: -296.093
where: short stacking energy: -133.850
Base-Backbone interact. energy: -1.281
local terms energy: -143.706866
where:
bonds (distance) C4'-P energy: -27.373
bonds (distance) P-C4' energy: -26.382
flat angles C4'-P-C4' energy: -30.964
flat angles P-C4'-P energy: -20.206
tors. eta vs tors. theta energy: -38.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -439.668667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.668667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.668667 (E_RNA)
where:
Base-Base interactions energy: -306.457
where: short stacking energy: -130.549
Base-Backbone interact. energy: -0.613
local terms energy: -132.598613
where:
bonds (distance) C4'-P energy: -27.728
bonds (distance) P-C4' energy: -21.059
flat angles C4'-P-C4' energy: -29.260
flat angles P-C4'-P energy: -19.309
tors. eta vs tors. theta energy: -35.243
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: 6, replica: 1
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -396.889087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.889087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.889087 (E_RNA)
where:
Base-Base interactions energy: -271.663
where: short stacking energy: -115.344
Base-Backbone interact. energy: -0.202
local terms energy: -125.024242
where:
bonds (distance) C4'-P energy: -24.706
bonds (distance) P-C4' energy: -28.669
flat angles C4'-P-C4' energy: -25.691
flat angles P-C4'-P energy: -15.246
tors. eta vs tors. theta energy: -30.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -394.701666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.701666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.701666 (E_RNA)
where:
Base-Base interactions energy: -272.612
where: short stacking energy: -139.434
Base-Backbone interact. energy: -0.172
local terms energy: -121.917410
where:
bonds (distance) C4'-P energy: -22.302
bonds (distance) P-C4' energy: -22.768
flat angles C4'-P-C4' energy: -25.915
flat angles P-C4'-P energy: -15.971
tors. eta vs tors. theta energy: -34.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -322.521125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.521125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.521125 (E_RNA)
where:
Base-Base interactions energy: -221.989
where: short stacking energy: -97.140
Base-Backbone interact. energy: -0.841
local terms energy: -99.691457
where:
bonds (distance) C4'-P energy: -28.426
bonds (distance) P-C4' energy: -23.587
flat angles C4'-P-C4' energy: -22.048
flat angles P-C4'-P energy: -2.489
tors. eta vs tors. theta energy: -23.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -149.469333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.469333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.469333 (E_RNA)
where:
Base-Base interactions energy: -62.817
where: short stacking energy: -55.249
Base-Backbone interact. energy: 0.532
local terms energy: -87.184222
where:
bonds (distance) C4'-P energy: -25.592
bonds (distance) P-C4' energy: -23.981
flat angles C4'-P-C4' energy: -21.076
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -4.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -206.784254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.784254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.784254 (E_RNA)
where:
Base-Base interactions energy: -117.988
where: short stacking energy: -57.951
Base-Backbone interact. energy: -0.394
local terms energy: -88.402220
where:
bonds (distance) C4'-P energy: -25.619
bonds (distance) P-C4' energy: -29.208
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: -6.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -542.250704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.250704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.250704 (E_RNA)
where:
Base-Base interactions energy: -384.025
where: short stacking energy: -160.326
Base-Backbone interact. energy: -0.302
local terms energy: -157.922951
where:
bonds (distance) C4'-P energy: -29.942
bonds (distance) P-C4' energy: -30.430
flat angles C4'-P-C4' energy: -31.103
flat angles P-C4'-P energy: -22.252
tors. eta vs tors. theta energy: -44.196
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: 6
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -523.704986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.704986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.704986 (E_RNA)
where:
Base-Base interactions energy: -367.069
where: short stacking energy: -154.179
Base-Backbone interact. energy: -0.493
local terms energy: -156.142913
where:
bonds (distance) C4'-P energy: -26.713
bonds (distance) P-C4' energy: -31.358
flat angles C4'-P-C4' energy: -28.727
flat angles P-C4'-P energy: -24.070
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: 3
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -472.858322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.858322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.858322 (E_RNA)
where:
Base-Base interactions energy: -328.226
where: short stacking energy: -156.999
Base-Backbone interact. energy: -0.221
local terms energy: -144.411326
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -29.566
flat angles C4'-P-C4' energy: -23.802
flat angles P-C4'-P energy: -22.281
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: 4, replica: 9
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -456.971172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.971172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.971172 (E_RNA)
where:
Base-Base interactions energy: -308.980
where: short stacking energy: -135.675
Base-Backbone interact. energy: -0.189
local terms energy: -147.802207
where:
bonds (distance) C4'-P energy: -27.720
bonds (distance) P-C4' energy: -30.966
flat angles C4'-P-C4' energy: -29.462
flat angles P-C4'-P energy: -19.880
tors. eta vs tors. theta energy: -39.773
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: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -428.356861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.356861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.356861 (E_RNA)
where:
Base-Base interactions energy: -294.678
where: short stacking energy: -137.400
Base-Backbone interact. energy: -0.487
local terms energy: -133.192746
where:
bonds (distance) C4'-P energy: -21.415
bonds (distance) P-C4' energy: -21.910
flat angles C4'-P-C4' energy: -28.763
flat angles P-C4'-P energy: -20.048
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: 6, replica: 8
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -421.624459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.624459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.624459 (E_RNA)
where:
Base-Base interactions energy: -287.420
where: short stacking energy: -129.331
Base-Backbone interact. energy: -0.248
local terms energy: -133.956893
where:
bonds (distance) C4'-P energy: -28.198
bonds (distance) P-C4' energy: -21.930
flat angles C4'-P-C4' energy: -30.468
flat angles P-C4'-P energy: -17.203
tors. eta vs tors. theta energy: -36.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -351.265413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.265413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.265413 (E_RNA)
where:
Base-Base interactions energy: -234.319
where: short stacking energy: -101.508
Base-Backbone interact. energy: -0.148
local terms energy: -116.798764
where:
bonds (distance) C4'-P energy: -23.424
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -30.688
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -27.484
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: 4
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -324.959216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.959216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.959216 (E_RNA)
where:
Base-Base interactions energy: -222.642
where: short stacking energy: -86.466
Base-Backbone interact. energy: 0.452
local terms energy: -102.769596
where:
bonds (distance) C4'-P energy: -23.642
bonds (distance) P-C4' energy: -23.543
flat angles C4'-P-C4' energy: -19.732
flat angles P-C4'-P energy: -14.521
tors. eta vs tors. theta energy: -21.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -127.959359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.959359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.959359 (E_RNA)
where:
Base-Base interactions energy: -52.726
where: short stacking energy: -51.923
Base-Backbone interact. energy: -0.388
local terms energy: -74.844964
where:
bonds (distance) C4'-P energy: -26.081
bonds (distance) P-C4' energy: -29.926
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: 3.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -219.278269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.278269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.278269 (E_RNA)
where:
Base-Base interactions energy: -133.372
where: short stacking energy: -63.195
Base-Backbone interact. energy: -0.499
local terms energy: -85.406706
where:
bonds (distance) C4'-P energy: -22.801
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -21.218
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -10.192
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: 174
Temperature: 0.900000
Total energy: -539.701559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.701559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.701559 (E_RNA)
where:
Base-Base interactions energy: -374.695
where: short stacking energy: -151.164
Base-Backbone interact. energy: -0.092
local terms energy: -164.914776
where:
bonds (distance) C4'-P energy: -30.931
bonds (distance) P-C4' energy: -31.572
flat angles C4'-P-C4' energy: -31.241
flat angles P-C4'-P energy: -24.845
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: 2, replica: 7
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -524.874826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.874826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.874826 (E_RNA)
where:
Base-Base interactions energy: -367.038
where: short stacking energy: -157.368
Base-Backbone interact. energy: -0.339
local terms energy: -157.498340
where:
bonds (distance) C4'-P energy: -27.646
bonds (distance) P-C4' energy: -29.798
flat angles C4'-P-C4' energy: -27.635
flat angles P-C4'-P energy: -25.299
tors. eta vs tors. theta energy: -47.120
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: 3, replica: 9
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -462.395770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.395770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.395770 (E_RNA)
where:
Base-Base interactions energy: -309.819
where: short stacking energy: -127.175
Base-Backbone interact. energy: -0.599
local terms energy: -151.977820
where:
bonds (distance) C4'-P energy: -33.894
bonds (distance) P-C4' energy: -32.254
flat angles C4'-P-C4' energy: -28.249
flat angles P-C4'-P energy: -21.364
tors. eta vs tors. theta energy: -36.216
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: 3
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -457.488640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.488640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.488640 (E_RNA)
where:
Base-Base interactions energy: -312.953
where: short stacking energy: -137.916
Base-Backbone interact. energy: -1.315
local terms energy: -143.221422
where:
bonds (distance) C4'-P energy: -16.092
bonds (distance) P-C4' energy: -26.529
flat angles C4'-P-C4' energy: -32.697
flat angles P-C4'-P energy: -23.693
tors. eta vs tors. theta energy: -44.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -434.605911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.605911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.605911 (E_RNA)
where:
Base-Base interactions energy: -297.992
where: short stacking energy: -124.799
Base-Backbone interact. energy: -0.749
local terms energy: -135.863970
where:
bonds (distance) C4'-P energy: -21.303
bonds (distance) P-C4' energy: -23.899
flat angles C4'-P-C4' energy: -30.989
flat angles P-C4'-P energy: -24.140
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: 6, replica: 8
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -417.186099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.186099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.186099 (E_RNA)
where:
Base-Base interactions energy: -292.156
where: short stacking energy: -125.577
Base-Backbone interact. energy: -0.095
local terms energy: -124.934819
where:
bonds (distance) C4'-P energy: -20.407
bonds (distance) P-C4' energy: -23.028
flat angles C4'-P-C4' energy: -30.331
flat angles P-C4'-P energy: -16.048
tors. eta vs tors. theta energy: -35.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -340.950164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.950164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.950164 (E_RNA)
where:
Base-Base interactions energy: -229.541
where: short stacking energy: -102.212
Base-Backbone interact. energy: -0.191
local terms energy: -111.218688
where:
bonds (distance) C4'-P energy: -21.298
bonds (distance) P-C4' energy: -25.497
flat angles C4'-P-C4' energy: -25.860
flat angles P-C4'-P energy: -18.608
tors. eta vs tors. theta energy: -19.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -353.624701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.624701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.624701 (E_RNA)
where:
Base-Base interactions energy: -231.108
where: short stacking energy: -101.816
Base-Backbone interact. energy: -0.211
local terms energy: -122.305861
where:
bonds (distance) C4'-P energy: -29.643
bonds (distance) P-C4' energy: -24.797
flat angles C4'-P-C4' energy: -28.141
flat angles P-C4'-P energy: -10.340
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: 5
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -214.838163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.838163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.838163 (E_RNA)
where:
Base-Base interactions energy: -109.460
where: short stacking energy: -59.334
Base-Backbone interact. energy: -2.666
local terms energy: -102.712029
where:
bonds (distance) C4'-P energy: -28.807
bonds (distance) P-C4' energy: -25.279
flat angles C4'-P-C4' energy: -20.974
flat angles P-C4'-P energy: -16.268
tors. eta vs tors. theta energy: -11.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -132.599581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.599581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.599581 (E_RNA)
where:
Base-Base interactions energy: -48.712
where: short stacking energy: -48.712
Base-Backbone interact. energy: -0.201
local terms energy: -83.686386
where:
bonds (distance) C4'-P energy: -20.332
bonds (distance) P-C4' energy: -28.795
flat angles C4'-P-C4' energy: -24.269
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -2.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -536.897548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.897548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.897548 (E_RNA)
where:
Base-Base interactions energy: -366.108
where: short stacking energy: -157.644
Base-Backbone interact. energy: -1.234
local terms energy: -169.555588
where:
bonds (distance) C4'-P energy: -29.626
bonds (distance) P-C4' energy: -35.319
flat angles C4'-P-C4' energy: -33.016
flat angles P-C4'-P energy: -23.286
tors. eta vs tors. theta energy: -48.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -530.549040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.549040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.549040 (E_RNA)
where:
Base-Base interactions energy: -371.006
where: short stacking energy: -154.831
Base-Backbone interact. energy: -0.291
local terms energy: -159.252120
where:
bonds (distance) C4'-P energy: -28.167
bonds (distance) P-C4' energy: -31.282
flat angles C4'-P-C4' energy: -30.645
flat angles P-C4'-P energy: -21.644
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: 3, replica: 9
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -457.598991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.598991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.598991 (E_RNA)
where:
Base-Base interactions energy: -318.729
where: short stacking energy: -134.642
Base-Backbone interact. energy: -0.105
local terms energy: -138.764917
where:
bonds (distance) C4'-P energy: -23.445
bonds (distance) P-C4' energy: -30.542
flat angles C4'-P-C4' energy: -27.670
flat angles P-C4'-P energy: -19.484
tors. eta vs tors. theta energy: -37.624
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: 2
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -436.171061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.171061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.171061 (E_RNA)
where:
Base-Base interactions energy: -284.563
where: short stacking energy: -130.592
Base-Backbone interact. energy: -0.041
local terms energy: -151.567541
where:
bonds (distance) C4'-P energy: -27.481
bonds (distance) P-C4' energy: -28.394
flat angles C4'-P-C4' energy: -33.029
flat angles P-C4'-P energy: -20.935
tors. eta vs tors. theta energy: -41.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -442.791430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.791430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.791430 (E_RNA)
where:
Base-Base interactions energy: -299.511
where: short stacking energy: -135.808
Base-Backbone interact. energy: -0.227
local terms energy: -143.053368
where:
bonds (distance) C4'-P energy: -25.775
bonds (distance) P-C4' energy: -28.752
flat angles C4'-P-C4' energy: -28.810
flat angles P-C4'-P energy: -20.412
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: 175
Temperature: 1.150000
Total energy: -404.273342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.273342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.273342 (E_RNA)
where:
Base-Base interactions energy: -274.628
where: short stacking energy: -120.371
Base-Backbone interact. energy: 0.654
local terms energy: -130.299410
where:
bonds (distance) C4'-P energy: -29.157
bonds (distance) P-C4' energy: -27.895
flat angles C4'-P-C4' energy: -25.184
flat angles P-C4'-P energy: -16.648
tors. eta vs tors. theta energy: -31.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -331.748788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.748788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.748788 (E_RNA)
where:
Base-Base interactions energy: -212.232
where: short stacking energy: -97.323
Base-Backbone interact. energy: -0.128
local terms energy: -119.388780
where:
bonds (distance) C4'-P energy: -24.429
bonds (distance) P-C4' energy: -29.409
flat angles C4'-P-C4' energy: -28.312
flat angles P-C4'-P energy: -16.516
tors. eta vs tors. theta energy: -20.722
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: 175
Temperature: 1.250000
Total energy: -336.600897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.600897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.600897 (E_RNA)
where:
Base-Base interactions energy: -236.702
where: short stacking energy: -101.908
Base-Backbone interact. energy: -0.247
local terms energy: -99.651593
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -23.340
flat angles C4'-P-C4' energy: -20.955
flat angles P-C4'-P energy: -17.548
tors. eta vs tors. theta energy: -22.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -217.121648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.121648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.121648 (E_RNA)
where:
Base-Base interactions energy: -110.074
where: short stacking energy: -58.847
Base-Backbone interact. energy: 1.021
local terms energy: -108.068720
where:
bonds (distance) C4'-P energy: -30.664
bonds (distance) P-C4' energy: -26.655
flat angles C4'-P-C4' energy: -28.606
flat angles P-C4'-P energy: -16.519
tors. eta vs tors. theta energy: -5.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -132.041744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.041744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.041744 (E_RNA)
where:
Base-Base interactions energy: -41.201
where: short stacking energy: -38.324
Base-Backbone interact. energy: 0.810
local terms energy: -91.650834
where:
bonds (distance) C4'-P energy: -21.306
bonds (distance) P-C4' energy: -26.932
flat angles C4'-P-C4' energy: -23.485
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -7.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -529.445198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.445198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.445198 (E_RNA)
where:
Base-Base interactions energy: -370.196
where: short stacking energy: -157.414
Base-Backbone interact. energy: -0.013
local terms energy: -159.236151
where:
bonds (distance) C4'-P energy: -28.636
bonds (distance) P-C4' energy: -29.836
flat angles C4'-P-C4' energy: -33.260
flat angles P-C4'-P energy: -22.671
tors. eta vs tors. theta energy: -44.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -527.009846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.009846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.009846 (E_RNA)
where:
Base-Base interactions energy: -365.648
where: short stacking energy: -147.177
Base-Backbone interact. energy: -0.113
local terms energy: -161.249619
where:
bonds (distance) C4'-P energy: -29.185
bonds (distance) P-C4' energy: -30.531
flat angles C4'-P-C4' energy: -32.479
flat angles P-C4'-P energy: -24.476
tors. eta vs tors. theta energy: -44.578
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: 176
Temperature: 1.000000
Total energy: -458.572029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.572029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.572029 (E_RNA)
where:
Base-Base interactions energy: -309.999
where: short stacking energy: -136.325
Base-Backbone interact. energy: -0.002
local terms energy: -148.570750
where:
bonds (distance) C4'-P energy: -25.792
bonds (distance) P-C4' energy: -29.004
flat angles C4'-P-C4' energy: -31.209
flat angles P-C4'-P energy: -20.114
tors. eta vs tors. theta energy: -42.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -451.412641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.412641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.412641 (E_RNA)
where:
Base-Base interactions energy: -313.375
where: short stacking energy: -137.398
Base-Backbone interact. energy: -0.791
local terms energy: -137.246513
where:
bonds (distance) C4'-P energy: -23.125
bonds (distance) P-C4' energy: -28.642
flat angles C4'-P-C4' energy: -28.501
flat angles P-C4'-P energy: -14.765
tors. eta vs tors. theta energy: -42.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -436.949192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.949192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.949192 (E_RNA)
where:
Base-Base interactions energy: -297.950
where: short stacking energy: -136.291
Base-Backbone interact. energy: -0.771
local terms energy: -138.227742
where:
bonds (distance) C4'-P energy: -29.519
bonds (distance) P-C4' energy: -22.712
flat angles C4'-P-C4' energy: -31.250
flat angles P-C4'-P energy: -14.360
tors. eta vs tors. theta energy: -40.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -402.416496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.416496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.416496 (E_RNA)
where:
Base-Base interactions energy: -269.641
where: short stacking energy: -124.232
Base-Backbone interact. energy: -0.549
local terms energy: -132.226012
where:
bonds (distance) C4'-P energy: -27.725
bonds (distance) P-C4' energy: -26.085
flat angles C4'-P-C4' energy: -24.118
flat angles P-C4'-P energy: -22.577
tors. eta vs tors. theta energy: -31.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -334.452392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.452392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.452392 (E_RNA)
where:
Base-Base interactions energy: -212.988
where: short stacking energy: -93.866
Base-Backbone interact. energy: 2.815
local terms energy: -124.279338
where:
bonds (distance) C4'-P energy: -28.826
bonds (distance) P-C4' energy: -25.676
flat angles C4'-P-C4' energy: -27.878
flat angles P-C4'-P energy: -17.494
tors. eta vs tors. theta energy: -24.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -330.758121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.758121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.758121 (E_RNA)
where:
Base-Base interactions energy: -232.523
where: short stacking energy: -97.338
Base-Backbone interact. energy: 0.063
local terms energy: -98.298247
where:
bonds (distance) C4'-P energy: -20.447
bonds (distance) P-C4' energy: -21.205
flat angles C4'-P-C4' energy: -28.565
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -18.986
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: 5
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -213.643122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.643122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.643122 (E_RNA)
where:
Base-Base interactions energy: -132.156
where: short stacking energy: -68.532
Base-Backbone interact. energy: -1.015
local terms energy: -80.472739
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -21.389
flat angles C4'-P-C4' energy: -24.381
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -12.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -139.461004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.461004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.461004 (E_RNA)
where:
Base-Base interactions energy: -54.179
where: short stacking energy: -53.419
Base-Backbone interact. energy: 0.032
local terms energy: -85.313912
where:
bonds (distance) C4'-P energy: -26.463
bonds (distance) P-C4' energy: -21.170
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -14.621
tors. eta vs tors. theta energy: -5.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -537.482351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.482351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.482351 (E_RNA)
where:
Base-Base interactions energy: -377.868
where: short stacking energy: -145.228
Base-Backbone interact. energy: -0.885
local terms energy: -158.729670
where:
bonds (distance) C4'-P energy: -27.598
bonds (distance) P-C4' energy: -27.834
flat angles C4'-P-C4' energy: -35.818
flat angles P-C4'-P energy: -22.038
tors. eta vs tors. theta energy: -45.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -527.725929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.725929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.725929 (E_RNA)
where:
Base-Base interactions energy: -375.460
where: short stacking energy: -157.026
Base-Backbone interact. energy: -0.171
local terms energy: -152.095196
where:
bonds (distance) C4'-P energy: -27.873
bonds (distance) P-C4' energy: -25.816
flat angles C4'-P-C4' energy: -29.851
flat angles P-C4'-P energy: -20.091
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: 3, replica: 9
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -466.773345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.773345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.773345 (E_RNA)
where:
Base-Base interactions energy: -317.953
where: short stacking energy: -134.440
Base-Backbone interact. energy: 0.311
local terms energy: -149.131798
where:
bonds (distance) C4'-P energy: -30.824
bonds (distance) P-C4' energy: -29.680
flat angles C4'-P-C4' energy: -24.747
flat angles P-C4'-P energy: -22.975
tors. eta vs tors. theta energy: -40.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -454.504769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.504769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.504769 (E_RNA)
where:
Base-Base interactions energy: -311.702
where: short stacking energy: -139.984
Base-Backbone interact. energy: -0.494
local terms energy: -142.308922
where:
bonds (distance) C4'-P energy: -29.853
bonds (distance) P-C4' energy: -29.347
flat angles C4'-P-C4' energy: -32.114
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -39.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -461.063695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.063695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.063695 (E_RNA)
where:
Base-Base interactions energy: -318.610
where: short stacking energy: -143.314
Base-Backbone interact. energy: -0.086
local terms energy: -142.367882
where:
bonds (distance) C4'-P energy: -30.412
bonds (distance) P-C4' energy: -24.653
flat angles C4'-P-C4' energy: -30.205
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -43.557
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: 8
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -418.681863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.681863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.681863 (E_RNA)
where:
Base-Base interactions energy: -288.160
where: short stacking energy: -134.798
Base-Backbone interact. energy: 0.727
local terms energy: -131.248577
where:
bonds (distance) C4'-P energy: -23.444
bonds (distance) P-C4' energy: -22.871
flat angles C4'-P-C4' energy: -28.683
flat angles P-C4'-P energy: -16.570
tors. eta vs tors. theta energy: -39.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -348.987818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.987818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.987818 (E_RNA)
where:
Base-Base interactions energy: -232.892
where: short stacking energy: -94.617
Base-Backbone interact. energy: -0.342
local terms energy: -115.753946
where:
bonds (distance) C4'-P energy: -30.591
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -30.907
flat angles P-C4'-P energy: -21.540
tors. eta vs tors. theta energy: -19.655
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: 1
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -307.586099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.586099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.586099 (E_RNA)
where:
Base-Base interactions energy: -197.794
where: short stacking energy: -90.692
Base-Backbone interact. energy: -0.243
local terms energy: -109.548986
where:
bonds (distance) C4'-P energy: -23.234
bonds (distance) P-C4' energy: -29.846
flat angles C4'-P-C4' energy: -26.849
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -16.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -202.877486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.877486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.877486 (E_RNA)
where:
Base-Base interactions energy: -105.760
where: short stacking energy: -48.060
Base-Backbone interact. energy: -0.875
local terms energy: -96.241671
where:
bonds (distance) C4'-P energy: -30.340
bonds (distance) P-C4' energy: -22.743
flat angles C4'-P-C4' energy: -25.848
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -4.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -148.225363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.225363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.225363 (E_RNA)
where:
Base-Base interactions energy: -53.041
where: short stacking energy: -52.814
Base-Backbone interact. energy: 0.093
local terms energy: -95.277967
where:
bonds (distance) C4'-P energy: -23.898
bonds (distance) P-C4' energy: -21.260
flat angles C4'-P-C4' energy: -27.664
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -12.735
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: 1, replica: 7
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -546.665223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.665223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.665223 (E_RNA)
where:
Base-Base interactions energy: -386.520
where: short stacking energy: -165.435
Base-Backbone interact. energy: -0.837
local terms energy: -159.308610
where:
bonds (distance) C4'-P energy: -23.999
bonds (distance) P-C4' energy: -31.885
flat angles C4'-P-C4' energy: -34.278
flat angles P-C4'-P energy: -21.467
tors. eta vs tors. theta energy: -47.680
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: 2, replica: 6
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -522.915257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.915257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.915257 (E_RNA)
where:
Base-Base interactions energy: -375.722
where: short stacking energy: -151.357
Base-Backbone interact. energy: -0.045
local terms energy: -147.148131
where:
bonds (distance) C4'-P energy: -26.008
bonds (distance) P-C4' energy: -28.074
flat angles C4'-P-C4' energy: -25.875
flat angles P-C4'-P energy: -20.490
tors. eta vs tors. theta energy: -46.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -472.346820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.346820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.346820 (E_RNA)
where:
Base-Base interactions energy: -327.596
where: short stacking energy: -143.688
Base-Backbone interact. energy: -0.551
local terms energy: -144.199731
where:
bonds (distance) C4'-P energy: -23.014
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -33.982
flat angles P-C4'-P energy: -17.298
tors. eta vs tors. theta energy: -46.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -457.131791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.131791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.131791 (E_RNA)
where:
Base-Base interactions energy: -312.765
where: short stacking energy: -137.032
Base-Backbone interact. energy: -1.964
local terms energy: -142.402987
where:
bonds (distance) C4'-P energy: -28.897
bonds (distance) P-C4' energy: -23.176
flat angles C4'-P-C4' energy: -27.964
flat angles P-C4'-P energy: -21.996
tors. eta vs tors. theta energy: -40.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -463.785034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.785034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.785034 (E_RNA)
where:
Base-Base interactions energy: -314.150
where: short stacking energy: -139.099
Base-Backbone interact. energy: -0.343
local terms energy: -149.291787
where:
bonds (distance) C4'-P energy: -22.572
bonds (distance) P-C4' energy: -26.865
flat angles C4'-P-C4' energy: -32.139
flat angles P-C4'-P energy: -23.862
tors. eta vs tors. theta energy: -43.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -412.709168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.709168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.709168 (E_RNA)
where:
Base-Base interactions energy: -272.318
where: short stacking energy: -124.098
Base-Backbone interact. energy: -0.071
local terms energy: -140.320633
where:
bonds (distance) C4'-P energy: -29.431
bonds (distance) P-C4' energy: -26.669
flat angles C4'-P-C4' energy: -25.321
flat angles P-C4'-P energy: -24.638
tors. eta vs tors. theta energy: -34.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -345.498294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.498294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.498294 (E_RNA)
where:
Base-Base interactions energy: -226.867
where: short stacking energy: -106.064
Base-Backbone interact. energy: -0.347
local terms energy: -118.283686
where:
bonds (distance) C4'-P energy: -26.281
bonds (distance) P-C4' energy: -32.530
flat angles C4'-P-C4' energy: -27.771
flat angles P-C4'-P energy: -13.291
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: 8, replica: 1
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -324.603768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.603768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.603768 (E_RNA)
where:
Base-Base interactions energy: -207.438
where: short stacking energy: -90.201
Base-Backbone interact. energy: 0.203
local terms energy: -117.369007
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -32.304
flat angles C4'-P-C4' energy: -28.889
flat angles P-C4'-P energy: -17.766
tors. eta vs tors. theta energy: -24.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -230.620322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.620322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.620322 (E_RNA)
where:
Base-Base interactions energy: -133.955
where: short stacking energy: -74.599
Base-Backbone interact. energy: -1.373
local terms energy: -95.291658
where:
bonds (distance) C4'-P energy: -20.436
bonds (distance) P-C4' energy: -20.232
flat angles C4'-P-C4' energy: -28.067
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -18.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -128.071157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.071157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.071157 (E_RNA)
where:
Base-Base interactions energy: -40.673
where: short stacking energy: -28.664
Base-Backbone interact. energy: -0.176
local terms energy: -87.222378
where:
bonds (distance) C4'-P energy: -31.236
bonds (distance) P-C4' energy: -27.563
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -16.633
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: 7
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -531.425042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.425042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.425042 (E_RNA)
where:
Base-Base interactions energy: -377.317
where: short stacking energy: -157.855
Base-Backbone interact. energy: -0.106
local terms energy: -154.002024
where:
bonds (distance) C4'-P energy: -24.144
bonds (distance) P-C4' energy: -27.270
flat angles C4'-P-C4' energy: -34.337
flat angles P-C4'-P energy: -20.992
tors. eta vs tors. theta energy: -47.259
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: 179
Temperature: 0.950000
Total energy: -523.339417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.339417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.339417 (E_RNA)
where:
Base-Base interactions energy: -373.963
where: short stacking energy: -140.377
Base-Backbone interact. energy: -0.170
local terms energy: -149.205723
where:
bonds (distance) C4'-P energy: -22.999
bonds (distance) P-C4' energy: -31.273
flat angles C4'-P-C4' energy: -30.674
flat angles P-C4'-P energy: -22.982
tors. eta vs tors. theta energy: -41.278
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: 179
Temperature: 1.000000
Total energy: -471.998741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.998741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.998741 (E_RNA)
where:
Base-Base interactions energy: -320.068
where: short stacking energy: -138.232
Base-Backbone interact. energy: -0.790
local terms energy: -151.141503
where:
bonds (distance) C4'-P energy: -23.445
bonds (distance) P-C4' energy: -30.940
flat angles C4'-P-C4' energy: -30.496
flat angles P-C4'-P energy: -23.765
tors. eta vs tors. theta energy: -42.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -461.957228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.957228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.957228 (E_RNA)
where:
Base-Base interactions energy: -319.390
where: short stacking energy: -149.519
Base-Backbone interact. energy: -0.100
local terms energy: -142.466908
where:
bonds (distance) C4'-P energy: -29.597
bonds (distance) P-C4' energy: -27.647
flat angles C4'-P-C4' energy: -28.890
flat angles P-C4'-P energy: -22.417
tors. eta vs tors. theta energy: -33.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -438.285232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.285232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.285232 (E_RNA)
where:
Base-Base interactions energy: -299.516
where: short stacking energy: -139.036
Base-Backbone interact. energy: -0.027
local terms energy: -138.741775
where:
bonds (distance) C4'-P energy: -24.329
bonds (distance) P-C4' energy: -23.087
flat angles C4'-P-C4' energy: -28.220
flat angles P-C4'-P energy: -22.943
tors. eta vs tors. theta energy: -40.163
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: 4
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -318.813722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.813722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.813722 (E_RNA)
where:
Base-Base interactions energy: -210.045
where: short stacking energy: -75.582
Base-Backbone interact. energy: -0.854
local terms energy: -107.915011
where:
bonds (distance) C4'-P energy: -24.257
bonds (distance) P-C4' energy: -29.581
flat angles C4'-P-C4' energy: -27.660
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -12.768
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: 7, replica: 8
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -396.397260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.397260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.397260 (E_RNA)
where:
Base-Base interactions energy: -272.316
where: short stacking energy: -122.237
Base-Backbone interact. energy: -0.160
local terms energy: -123.921547
where:
bonds (distance) C4'-P energy: -21.797
bonds (distance) P-C4' energy: -25.904
flat angles C4'-P-C4' energy: -28.920
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -33.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -319.647221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.647221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.647221 (E_RNA)
where:
Base-Base interactions energy: -217.611
where: short stacking energy: -102.628
Base-Backbone interact. energy: -0.411
local terms energy: -101.624684
where:
bonds (distance) C4'-P energy: -25.894
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -20.798
flat angles P-C4'-P energy: -19.861
tors. eta vs tors. theta energy: -21.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -216.404153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.404153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.404153 (E_RNA)
where:
Base-Base interactions energy: -119.971
where: short stacking energy: -75.689
Base-Backbone interact. energy: -0.621
local terms energy: -95.811615
where:
bonds (distance) C4'-P energy: -21.763
bonds (distance) P-C4' energy: -23.905
flat angles C4'-P-C4' energy: -19.877
flat angles P-C4'-P energy: -20.840
tors. eta vs tors. theta energy: -9.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -137.318739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.318739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.318739 (E_RNA)
where:
Base-Base interactions energy: -50.050
where: short stacking energy: -34.291
Base-Backbone interact. energy: -0.267
local terms energy: -87.001921
where:
bonds (distance) C4'-P energy: -28.028
bonds (distance) P-C4' energy: -29.248
flat angles C4'-P-C4' energy: -22.372
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: 1.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -542.022242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.022242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.022242 (E_RNA)
where:
Base-Base interactions energy: -383.593
where: short stacking energy: -164.310
Base-Backbone interact. energy: -0.485
local terms energy: -157.943859
where:
bonds (distance) C4'-P energy: -30.837
bonds (distance) P-C4' energy: -29.163
flat angles C4'-P-C4' energy: -32.717
flat angles P-C4'-P energy: -18.891
tors. eta vs tors. theta energy: -46.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -515.548565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.548565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.548565 (E_RNA)
where:
Base-Base interactions energy: -359.713
where: short stacking energy: -145.341
Base-Backbone interact. energy: -0.909
local terms energy: -154.926882
where:
bonds (distance) C4'-P energy: -28.747
bonds (distance) P-C4' energy: -28.070
flat angles C4'-P-C4' energy: -34.423
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: -42.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -472.941895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.941895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.941895 (E_RNA)
where:
Base-Base interactions energy: -319.580
where: short stacking energy: -149.288
Base-Backbone interact. energy: -0.103
local terms energy: -153.259544
where:
bonds (distance) C4'-P energy: -27.448
bonds (distance) P-C4' energy: -29.319
flat angles C4'-P-C4' energy: -29.907
flat angles P-C4'-P energy: -19.887
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: 4, replica: 2
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -466.812979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.812979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.812979 (E_RNA)
where:
Base-Base interactions energy: -317.011
where: short stacking energy: -143.860
Base-Backbone interact. energy: -0.563
local terms energy: -149.238145
where:
bonds (distance) C4'-P energy: -33.475
bonds (distance) P-C4' energy: -26.758
flat angles C4'-P-C4' energy: -31.360
flat angles P-C4'-P energy: -20.760
tors. eta vs tors. theta energy: -36.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -432.080202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.080202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.080202 (E_RNA)
where:
Base-Base interactions energy: -297.929
where: short stacking energy: -130.533
Base-Backbone interact. energy: -0.359
local terms energy: -133.792617
where:
bonds (distance) C4'-P energy: -23.578
bonds (distance) P-C4' energy: -27.257
flat angles C4'-P-C4' energy: -25.675
flat angles P-C4'-P energy: -22.047
tors. eta vs tors. theta energy: -35.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -328.884022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.884022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.884022 (E_RNA)
where:
Base-Base interactions energy: -217.189
where: short stacking energy: -93.236
Base-Backbone interact. energy: -0.284
local terms energy: -111.411511
where:
bonds (distance) C4'-P energy: -25.447
bonds (distance) P-C4' energy: -27.365
flat angles C4'-P-C4' energy: -21.306
flat angles P-C4'-P energy: -16.930
tors. eta vs tors. theta energy: -20.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -397.944362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.944362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.944362 (E_RNA)
where:
Base-Base interactions energy: -283.138
where: short stacking energy: -112.721
Base-Backbone interact. energy: -0.214
local terms energy: -114.592217
where:
bonds (distance) C4'-P energy: -23.172
bonds (distance) P-C4' energy: -21.335
flat angles C4'-P-C4' energy: -25.614
flat angles P-C4'-P energy: -19.406
tors. eta vs tors. theta energy: -25.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -332.935336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.935336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.935336 (E_RNA)
where:
Base-Base interactions energy: -218.602
where: short stacking energy: -82.459
Base-Backbone interact. energy: -0.419
local terms energy: -113.914730
where:
bonds (distance) C4'-P energy: -23.449
bonds (distance) P-C4' energy: -22.793
flat angles C4'-P-C4' energy: -29.860
flat angles P-C4'-P energy: -18.627
tors. eta vs tors. theta energy: -19.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -186.232276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.232276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.232276 (E_RNA)
where:
Base-Base interactions energy: -94.319
where: short stacking energy: -54.306
Base-Backbone interact. energy: -0.571
local terms energy: -91.342957
where:
bonds (distance) C4'-P energy: -20.687
bonds (distance) P-C4' energy: -23.572
flat angles C4'-P-C4' energy: -24.126
flat angles P-C4'-P energy: -19.872
tors. eta vs tors. theta energy: -3.085
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: 5
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -215.331258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.331258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.331258 (E_RNA)
where:
Base-Base interactions energy: -112.230
where: short stacking energy: -59.835
Base-Backbone interact. energy: -0.340
local terms energy: -102.761574
where:
bonds (distance) C4'-P energy: -22.205
bonds (distance) P-C4' energy: -26.534
flat angles C4'-P-C4' energy: -22.023
flat angles P-C4'-P energy: -21.425
tors. eta vs tors. theta energy: -10.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -544.487279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.487279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.487279 (E_RNA)
where:
Base-Base interactions energy: -379.969
where: short stacking energy: -154.431
Base-Backbone interact. energy: -0.606
local terms energy: -163.911908
where:
bonds (distance) C4'-P energy: -30.233
bonds (distance) P-C4' energy: -23.680
flat angles C4'-P-C4' energy: -33.331
flat angles P-C4'-P energy: -26.106
tors. eta vs tors. theta energy: -50.562
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: 6
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -526.135850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.135850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.135850 (E_RNA)
where:
Base-Base interactions energy: -368.881
where: short stacking energy: -157.207
Base-Backbone interact. energy: -0.008
local terms energy: -157.246650
where:
bonds (distance) C4'-P energy: -23.863
bonds (distance) P-C4' energy: -29.857
flat angles C4'-P-C4' energy: -31.851
flat angles P-C4'-P energy: -22.654
tors. eta vs tors. theta energy: -49.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -485.984175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.984175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.984175 (E_RNA)
where:
Base-Base interactions energy: -338.879
where: short stacking energy: -150.282
Base-Backbone interact. energy: 0.297
local terms energy: -147.402463
where:
bonds (distance) C4'-P energy: -29.365
bonds (distance) P-C4' energy: -25.545
flat angles C4'-P-C4' energy: -27.047
flat angles P-C4'-P energy: -21.550
tors. eta vs tors. theta energy: -43.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -466.104616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.104616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.104616 (E_RNA)
where:
Base-Base interactions energy: -312.375
where: short stacking energy: -143.236
Base-Backbone interact. energy: -0.398
local terms energy: -153.331618
where:
bonds (distance) C4'-P energy: -25.802
bonds (distance) P-C4' energy: -31.743
flat angles C4'-P-C4' energy: -30.340
flat angles P-C4'-P energy: -24.704
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: 5, replica: 9
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -438.789298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.789298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.789298 (E_RNA)
where:
Base-Base interactions energy: -301.044
where: short stacking energy: -127.690
Base-Backbone interact. energy: -0.826
local terms energy: -136.919439
where:
bonds (distance) C4'-P energy: -30.408
bonds (distance) P-C4' energy: -20.952
flat angles C4'-P-C4' energy: -28.917
flat angles P-C4'-P energy: -20.102
tors. eta vs tors. theta energy: -36.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -443.396361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.396361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.396361 (E_RNA)
where:
Base-Base interactions energy: -320.863
where: short stacking energy: -127.516
Base-Backbone interact. energy: 1.156
local terms energy: -123.688772
where:
bonds (distance) C4'-P energy: -25.088
bonds (distance) P-C4' energy: -28.899
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -22.556
tors. eta vs tors. theta energy: -28.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -303.176001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.176001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.176001 (E_RNA)
where:
Base-Base interactions energy: -205.026
where: short stacking energy: -82.933
Base-Backbone interact. energy: 0.271
local terms energy: -98.421720
where:
bonds (distance) C4'-P energy: -21.883
bonds (distance) P-C4' energy: -23.117
flat angles C4'-P-C4' energy: -26.675
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -16.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -331.077609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.077609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.077609 (E_RNA)
where:
Base-Base interactions energy: -216.514
where: short stacking energy: -90.080
Base-Backbone interact. energy: -0.110
local terms energy: -114.453314
where:
bonds (distance) C4'-P energy: -22.513
bonds (distance) P-C4' energy: -26.034
flat angles C4'-P-C4' energy: -24.262
flat angles P-C4'-P energy: -16.130
tors. eta vs tors. theta energy: -25.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -199.094354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.094354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.094354 (E_RNA)
where:
Base-Base interactions energy: -104.689
where: short stacking energy: -51.508
Base-Backbone interact. energy: -0.264
local terms energy: -94.141370
where:
bonds (distance) C4'-P energy: -20.851
bonds (distance) P-C4' energy: -29.864
flat angles C4'-P-C4' energy: -24.343
flat angles P-C4'-P energy: -14.506
tors. eta vs tors. theta energy: -4.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -193.531678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.531678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.531678 (E_RNA)
where:
Base-Base interactions energy: -113.289
where: short stacking energy: -64.510
Base-Backbone interact. energy: -0.448
local terms energy: -79.794785
where:
bonds (distance) C4'-P energy: -20.237
bonds (distance) P-C4' energy: -22.951
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -13.705
tors. eta vs tors. theta energy: -8.125
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: 7
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -536.324194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.324194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.324194 (E_RNA)
where:
Base-Base interactions energy: -379.088
where: short stacking energy: -149.879
Base-Backbone interact. energy: -0.037
local terms energy: -157.198696
where:
bonds (distance) C4'-P energy: -29.945
bonds (distance) P-C4' energy: -27.623
flat angles C4'-P-C4' energy: -31.416
flat angles P-C4'-P energy: -24.620
tors. eta vs tors. theta energy: -43.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -529.519743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.519743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.519743 (E_RNA)
where:
Base-Base interactions energy: -374.214
where: short stacking energy: -157.033
Base-Backbone interact. energy: -0.210
local terms energy: -155.095926
where:
bonds (distance) C4'-P energy: -25.007
bonds (distance) P-C4' energy: -28.300
flat angles C4'-P-C4' energy: -32.259
flat angles P-C4'-P energy: -23.776
tors. eta vs tors. theta energy: -45.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -467.072757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.072757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.072757 (E_RNA)
where:
Base-Base interactions energy: -312.815
where: short stacking energy: -138.506
Base-Backbone interact. energy: -0.645
local terms energy: -153.612766
where:
bonds (distance) C4'-P energy: -22.133
bonds (distance) P-C4' energy: -33.196
flat angles C4'-P-C4' energy: -31.427
flat angles P-C4'-P energy: -21.379
tors. eta vs tors. theta energy: -45.478
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: 182
Temperature: 1.050000
Total energy: -461.903499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.903499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.903499 (E_RNA)
where:
Base-Base interactions energy: -323.519
where: short stacking energy: -142.540
Base-Backbone interact. energy: -0.096
local terms energy: -138.288530
where:
bonds (distance) C4'-P energy: -25.531
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -31.332
flat angles P-C4'-P energy: -24.436
tors. eta vs tors. theta energy: -35.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -497.881376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.881376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.881376 (E_RNA)
where:
Base-Base interactions energy: -357.711
where: short stacking energy: -134.643
Base-Backbone interact. energy: 0.272
local terms energy: -140.442660
where:
bonds (distance) C4'-P energy: -21.529
bonds (distance) P-C4' energy: -26.226
flat angles C4'-P-C4' energy: -32.799
flat angles P-C4'-P energy: -16.990
tors. eta vs tors. theta energy: -42.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -436.870600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.870600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.870600 (E_RNA)
where:
Base-Base interactions energy: -301.295
where: short stacking energy: -122.449
Base-Backbone interact. energy: -0.094
local terms energy: -135.481084
where:
bonds (distance) C4'-P energy: -29.519
bonds (distance) P-C4' energy: -30.322
flat angles C4'-P-C4' energy: -24.280
flat angles P-C4'-P energy: -19.111
tors. eta vs tors. theta energy: -32.249
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: 4
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -304.453278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.453278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.453278 (E_RNA)
where:
Base-Base interactions energy: -201.747
where: short stacking energy: -96.343
Base-Backbone interact. energy: -0.257
local terms energy: -102.448852
where:
bonds (distance) C4'-P energy: -21.411
bonds (distance) P-C4' energy: -25.653
flat angles C4'-P-C4' energy: -26.986
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -18.740
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: 8, replica: 1
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -340.269999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.269999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.269999 (E_RNA)
where:
Base-Base interactions energy: -235.206
where: short stacking energy: -104.950
Base-Backbone interact. energy: 0.516
local terms energy: -105.580077
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -23.555
flat angles C4'-P-C4' energy: -27.041
flat angles P-C4'-P energy: -17.898
tors. eta vs tors. theta energy: -21.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -187.566044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.566044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.566044 (E_RNA)
where:
Base-Base interactions energy: -96.689
where: short stacking energy: -47.799
Base-Backbone interact. energy: -0.475
local terms energy: -90.401860
where:
bonds (distance) C4'-P energy: -19.928
bonds (distance) P-C4' energy: -29.550
flat angles C4'-P-C4' energy: -21.447
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -10.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -190.899816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.899816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.899816 (E_RNA)
where:
Base-Base interactions energy: -107.531
where: short stacking energy: -57.200
Base-Backbone interact. energy: -0.100
local terms energy: -83.268276
where:
bonds (distance) C4'-P energy: -26.649
bonds (distance) P-C4' energy: -22.292
flat angles C4'-P-C4' energy: -17.836
flat angles P-C4'-P energy: -12.039
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: 1, replica: 7
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -541.149047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.149047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.149047 (E_RNA)
where:
Base-Base interactions energy: -376.362
where: short stacking energy: -162.812
Base-Backbone interact. energy: -0.127
local terms energy: -164.659627
where:
bonds (distance) C4'-P energy: -29.949
bonds (distance) P-C4' energy: -29.302
flat angles C4'-P-C4' energy: -30.865
flat angles P-C4'-P energy: -26.300
tors. eta vs tors. theta energy: -48.244
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: 2, replica: 6
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -528.513434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.513434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.513434 (E_RNA)
where:
Base-Base interactions energy: -372.341
where: short stacking energy: -159.237
Base-Backbone interact. energy: 0.967
local terms energy: -157.140291
where:
bonds (distance) C4'-P energy: -23.729
bonds (distance) P-C4' energy: -31.500
flat angles C4'-P-C4' energy: -30.105
flat angles P-C4'-P energy: -21.583
tors. eta vs tors. theta energy: -50.223
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: 3
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -471.661118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.661118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.661118 (E_RNA)
where:
Base-Base interactions energy: -326.396
where: short stacking energy: -140.075
Base-Backbone interact. energy: -1.345
local terms energy: -143.920175
where:
bonds (distance) C4'-P energy: -27.773
bonds (distance) P-C4' energy: -26.964
flat angles C4'-P-C4' energy: -28.027
flat angles P-C4'-P energy: -18.618
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: 4, replica: 8
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -520.572184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.572184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.572184 (E_RNA)
where:
Base-Base interactions energy: -369.934
where: short stacking energy: -142.602
Base-Backbone interact. energy: -0.412
local terms energy: -150.226583
where:
bonds (distance) C4'-P energy: -29.679
bonds (distance) P-C4' energy: -25.652
flat angles C4'-P-C4' energy: -29.207
flat angles P-C4'-P energy: -22.008
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: 5, replica: 2
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -436.897968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.897968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.897968 (E_RNA)
where:
Base-Base interactions energy: -305.256
where: short stacking energy: -137.598
Base-Backbone interact. energy: -0.476
local terms energy: -131.165685
where:
bonds (distance) C4'-P energy: -24.704
bonds (distance) P-C4' energy: -23.602
flat angles C4'-P-C4' energy: -29.511
flat angles P-C4'-P energy: -14.150
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: 6, replica: 9
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -433.294063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.294063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.294063 (E_RNA)
where:
Base-Base interactions energy: -296.458
where: short stacking energy: -121.797
Base-Backbone interact. energy: -0.961
local terms energy: -135.875212
where:
bonds (distance) C4'-P energy: -28.650
bonds (distance) P-C4' energy: -29.090
flat angles C4'-P-C4' energy: -30.068
flat angles P-C4'-P energy: -12.567
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: 7, replica: 4
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -302.413277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.413277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.413277 (E_RNA)
where:
Base-Base interactions energy: -189.521
where: short stacking energy: -89.010
Base-Backbone interact. energy: -1.162
local terms energy: -111.730153
where:
bonds (distance) C4'-P energy: -28.466
bonds (distance) P-C4' energy: -28.797
flat angles C4'-P-C4' energy: -25.240
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -18.560
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: 1
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -358.013709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.013709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.013709 (E_RNA)
where:
Base-Base interactions energy: -235.905
where: short stacking energy: -96.059
Base-Backbone interact. energy: 0.596
local terms energy: -122.704997
where:
bonds (distance) C4'-P energy: -29.762
bonds (distance) P-C4' energy: -23.799
flat angles C4'-P-C4' energy: -28.786
flat angles P-C4'-P energy: -18.158
tors. eta vs tors. theta energy: -22.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -139.536554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.536554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.536554 (E_RNA)
where:
Base-Base interactions energy: -45.284
where: short stacking energy: -36.627
Base-Backbone interact. energy: 0.070
local terms energy: -94.323245
where:
bonds (distance) C4'-P energy: -24.013
bonds (distance) P-C4' energy: -25.765
flat angles C4'-P-C4' energy: -27.864
flat angles P-C4'-P energy: -16.339
tors. eta vs tors. theta energy: -0.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -199.176065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.176065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.176065 (E_RNA)
where:
Base-Base interactions energy: -112.646
where: short stacking energy: -58.404
Base-Backbone interact. energy: 1.188
local terms energy: -87.717698
where:
bonds (distance) C4'-P energy: -29.042
bonds (distance) P-C4' energy: -24.533
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -8.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -537.117267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.117267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.117267 (E_RNA)
where:
Base-Base interactions energy: -374.781
where: short stacking energy: -160.487
Base-Backbone interact. energy: -0.230
local terms energy: -162.106010
where:
bonds (distance) C4'-P energy: -26.757
bonds (distance) P-C4' energy: -29.053
flat angles C4'-P-C4' energy: -33.463
flat angles P-C4'-P energy: -24.957
tors. eta vs tors. theta energy: -47.877
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: 6
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -518.967851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.967851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.967851 (E_RNA)
where:
Base-Base interactions energy: -363.483
where: short stacking energy: -152.591
Base-Backbone interact. energy: -0.575
local terms energy: -154.909137
where:
bonds (distance) C4'-P energy: -24.317
bonds (distance) P-C4' energy: -29.541
flat angles C4'-P-C4' energy: -30.541
flat angles P-C4'-P energy: -23.484
tors. eta vs tors. theta energy: -47.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -507.686784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.686784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.686784 (E_RNA)
where:
Base-Base interactions energy: -359.830
where: short stacking energy: -151.938
Base-Backbone interact. energy: 0.216
local terms energy: -148.073219
where:
bonds (distance) C4'-P energy: -23.511
bonds (distance) P-C4' energy: -28.688
flat angles C4'-P-C4' energy: -30.409
flat angles P-C4'-P energy: -24.694
tors. eta vs tors. theta energy: -40.771
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: 3
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -473.875172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.875172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.875172 (E_RNA)
where:
Base-Base interactions energy: -336.743
where: short stacking energy: -140.922
Base-Backbone interact. energy: -0.141
local terms energy: -136.991570
where:
bonds (distance) C4'-P energy: -23.990
bonds (distance) P-C4' energy: -27.696
flat angles C4'-P-C4' energy: -25.762
flat angles P-C4'-P energy: -17.330
tors. eta vs tors. theta energy: -42.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -447.982322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.982322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.982322 (E_RNA)
where:
Base-Base interactions energy: -302.985
where: short stacking energy: -128.888
Base-Backbone interact. energy: -0.868
local terms energy: -144.128505
where:
bonds (distance) C4'-P energy: -24.679
bonds (distance) P-C4' energy: -31.655
flat angles C4'-P-C4' energy: -29.468
flat angles P-C4'-P energy: -21.577
tors. eta vs tors. theta energy: -36.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -431.119702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.119702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.119702 (E_RNA)
where:
Base-Base interactions energy: -295.966
where: short stacking energy: -138.240
Base-Backbone interact. energy: -0.184
local terms energy: -134.969702
where:
bonds (distance) C4'-P energy: -25.821
bonds (distance) P-C4' energy: -32.529
flat angles C4'-P-C4' energy: -25.558
flat angles P-C4'-P energy: -17.389
tors. eta vs tors. theta energy: -33.673
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: 7, replica: 1
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -395.458540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.458540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.458540 (E_RNA)
where:
Base-Base interactions energy: -260.420
where: short stacking energy: -123.228
Base-Backbone interact. energy: 1.653
local terms energy: -136.691841
where:
bonds (distance) C4'-P energy: -20.137
bonds (distance) P-C4' energy: -31.714
flat angles C4'-P-C4' energy: -31.114
flat angles P-C4'-P energy: -20.392
tors. eta vs tors. theta energy: -33.335
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: 184
Temperature: 1.250000
Total energy: -286.564098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.564098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.564098 (E_RNA)
where:
Base-Base interactions energy: -185.198
where: short stacking energy: -83.612
Base-Backbone interact. energy: -0.915
local terms energy: -100.451457
where:
bonds (distance) C4'-P energy: -19.000
bonds (distance) P-C4' energy: -21.884
flat angles C4'-P-C4' energy: -24.641
flat angles P-C4'-P energy: -17.061
tors. eta vs tors. theta energy: -17.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -198.345531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.345531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.345531 (E_RNA)
where:
Base-Base interactions energy: -118.414
where: short stacking energy: -68.676
Base-Backbone interact. energy: -0.370
local terms energy: -79.560941
where:
bonds (distance) C4'-P energy: -19.324
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -21.409
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -10.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -142.050609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.050609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.050609 (E_RNA)
where:
Base-Base interactions energy: -50.062
where: short stacking energy: -45.275
Base-Backbone interact. energy: -0.250
local terms energy: -91.738825
where:
bonds (distance) C4'-P energy: -27.212
bonds (distance) P-C4' energy: -21.004
flat angles C4'-P-C4' energy: -25.012
flat angles P-C4'-P energy: -19.955
tors. eta vs tors. theta energy: 1.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -536.574955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.574955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.574955 (E_RNA)
where:
Base-Base interactions energy: -369.609
where: short stacking energy: -154.626
Base-Backbone interact. energy: -1.416
local terms energy: -165.549843
where:
bonds (distance) C4'-P energy: -27.638
bonds (distance) P-C4' energy: -30.654
flat angles C4'-P-C4' energy: -33.648
flat angles P-C4'-P energy: -24.789
tors. eta vs tors. theta energy: -48.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -526.209488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.209488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.209488 (E_RNA)
where:
Base-Base interactions energy: -371.249
where: short stacking energy: -149.771
Base-Backbone interact. energy: -0.156
local terms energy: -154.803856
where:
bonds (distance) C4'-P energy: -23.725
bonds (distance) P-C4' energy: -26.445
flat angles C4'-P-C4' energy: -34.598
flat angles P-C4'-P energy: -24.269
tors. eta vs tors. theta energy: -45.767
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: 185
Temperature: 1.000000
Total energy: -512.550405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.550405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.550405 (E_RNA)
where:
Base-Base interactions energy: -365.631
where: short stacking energy: -155.111
Base-Backbone interact. energy: -0.012
local terms energy: -146.907149
where:
bonds (distance) C4'-P energy: -27.572
bonds (distance) P-C4' energy: -22.045
flat angles C4'-P-C4' energy: -30.446
flat angles P-C4'-P energy: -19.513
tors. eta vs tors. theta energy: -47.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -446.835884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.835884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.835884 (E_RNA)
where:
Base-Base interactions energy: -296.369
where: short stacking energy: -130.468
Base-Backbone interact. energy: 0.584
local terms energy: -151.051260
where:
bonds (distance) C4'-P energy: -27.469
bonds (distance) P-C4' energy: -29.228
flat angles C4'-P-C4' energy: -27.852
flat angles P-C4'-P energy: -25.445
tors. eta vs tors. theta energy: -41.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -443.608233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.608233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.608233 (E_RNA)
where:
Base-Base interactions energy: -308.627
where: short stacking energy: -117.087
Base-Backbone interact. energy: -0.391
local terms energy: -134.589896
where:
bonds (distance) C4'-P energy: -27.493
bonds (distance) P-C4' energy: -27.881
flat angles C4'-P-C4' energy: -24.692
flat angles P-C4'-P energy: -21.216
tors. eta vs tors. theta energy: -33.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -449.009479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.009479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.009479 (E_RNA)
where:
Base-Base interactions energy: -317.160
where: short stacking energy: -144.110
Base-Backbone interact. energy: -0.294
local terms energy: -131.555949
where:
bonds (distance) C4'-P energy: -22.523
bonds (distance) P-C4' energy: -21.613
flat angles C4'-P-C4' energy: -26.838
flat angles P-C4'-P energy: -18.795
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: 7, replica: 1
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -388.366520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.366520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.366520 (E_RNA)
where:
Base-Base interactions energy: -263.640
where: short stacking energy: -111.797
Base-Backbone interact. energy: -1.355
local terms energy: -123.371087
where:
bonds (distance) C4'-P energy: -25.218
bonds (distance) P-C4' energy: -20.035
flat angles C4'-P-C4' energy: -28.693
flat angles P-C4'-P energy: -17.554
tors. eta vs tors. theta energy: -31.871
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: 4
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -302.255295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.255295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.255295 (E_RNA)
where:
Base-Base interactions energy: -206.026
where: short stacking energy: -96.665
Base-Backbone interact. energy: -1.052
local terms energy: -95.176760
where:
bonds (distance) C4'-P energy: -19.585
bonds (distance) P-C4' energy: -24.113
flat angles C4'-P-C4' energy: -22.676
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -19.488
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: 5
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -205.193898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.193898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.193898 (E_RNA)
where:
Base-Base interactions energy: -114.859
where: short stacking energy: -59.082
Base-Backbone interact. energy: 0.914
local terms energy: -91.249112
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -25.955
flat angles C4'-P-C4' energy: -22.874
flat angles P-C4'-P energy: -16.114
tors. eta vs tors. theta energy: -5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -151.294321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.294321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.294321 (E_RNA)
where:
Base-Base interactions energy: -48.868
where: short stacking energy: -48.671
Base-Backbone interact. energy: -0.396
local terms energy: -102.030828
where:
bonds (distance) C4'-P energy: -23.887
bonds (distance) P-C4' energy: -28.360
flat angles C4'-P-C4' energy: -24.758
flat angles P-C4'-P energy: -20.845
tors. eta vs tors. theta energy: -4.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -536.275274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.275274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.275274 (E_RNA)
where:
Base-Base interactions energy: -377.235
where: short stacking energy: -153.550
Base-Backbone interact. energy: -0.039
local terms energy: -159.001514
where:
bonds (distance) C4'-P energy: -28.569
bonds (distance) P-C4' energy: -26.711
flat angles C4'-P-C4' energy: -33.079
flat angles P-C4'-P energy: -24.739
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: 2, replica: 7
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -537.824477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.824477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.824477 (E_RNA)
where:
Base-Base interactions energy: -383.742
where: short stacking energy: -159.444
Base-Backbone interact. energy: -1.003
local terms energy: -153.079473
where:
bonds (distance) C4'-P energy: -27.494
bonds (distance) P-C4' energy: -29.025
flat angles C4'-P-C4' energy: -30.428
flat angles P-C4'-P energy: -18.566
tors. eta vs tors. theta energy: -47.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -488.085015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.085015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.085015 (E_RNA)
where:
Base-Base interactions energy: -335.330
where: short stacking energy: -146.449
Base-Backbone interact. energy: -0.171
local terms energy: -152.583841
where:
bonds (distance) C4'-P energy: -26.429
bonds (distance) P-C4' energy: -31.471
flat angles C4'-P-C4' energy: -30.395
flat angles P-C4'-P energy: -18.504
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: 4, replica: 6
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -507.875805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.875805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.875805 (E_RNA)
where:
Base-Base interactions energy: -373.412
where: short stacking energy: -140.966
Base-Backbone interact. energy: -0.020
local terms energy: -134.443498
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -27.692
flat angles C4'-P-C4' energy: -27.926
flat angles P-C4'-P energy: -17.643
tors. eta vs tors. theta energy: -43.050
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: 2
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -441.408119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.408119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.408119 (E_RNA)
where:
Base-Base interactions energy: -301.447
where: short stacking energy: -140.122
Base-Backbone interact. energy: -0.034
local terms energy: -139.927274
where:
bonds (distance) C4'-P energy: -19.111
bonds (distance) P-C4' energy: -29.474
flat angles C4'-P-C4' energy: -31.380
flat angles P-C4'-P energy: -22.414
tors. eta vs tors. theta energy: -37.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -432.609469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.609469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.609469 (E_RNA)
where:
Base-Base interactions energy: -298.075
where: short stacking energy: -132.307
Base-Backbone interact. energy: -1.723
local terms energy: -132.811432
where:
bonds (distance) C4'-P energy: -24.419
bonds (distance) P-C4' energy: -26.015
flat angles C4'-P-C4' energy: -30.116
flat angles P-C4'-P energy: -18.457
tors. eta vs tors. theta energy: -33.804
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: 186
Temperature: 1.200000
Total energy: -361.076039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.076039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.076039 (E_RNA)
where:
Base-Base interactions energy: -259.627
where: short stacking energy: -98.470
Base-Backbone interact. energy: -0.477
local terms energy: -100.972432
where:
bonds (distance) C4'-P energy: -21.376
bonds (distance) P-C4' energy: -22.191
flat angles C4'-P-C4' energy: -21.543
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -23.857
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: 4
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -329.344528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.344528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.344528 (E_RNA)
where:
Base-Base interactions energy: -220.711
where: short stacking energy: -90.389
Base-Backbone interact. energy: -0.838
local terms energy: -107.795671
where:
bonds (distance) C4'-P energy: -27.949
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -26.464
flat angles P-C4'-P energy: -14.521
tors. eta vs tors. theta energy: -22.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -197.727630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.727630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.727630 (E_RNA)
where:
Base-Base interactions energy: -108.085
where: short stacking energy: -57.751
Base-Backbone interact. energy: -0.681
local terms energy: -88.961271
where:
bonds (distance) C4'-P energy: -19.688
bonds (distance) P-C4' energy: -22.633
flat angles C4'-P-C4' energy: -25.289
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -7.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -136.127394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.127394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.127394 (E_RNA)
where:
Base-Base interactions energy: -49.688
where: short stacking energy: -49.688
Base-Backbone interact. energy: 0.237
local terms energy: -86.676378
where:
bonds (distance) C4'-P energy: -23.903
bonds (distance) P-C4' energy: -27.958
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -2.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -531.717882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.717882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.717882 (E_RNA)
where:
Base-Base interactions energy: -372.671
where: short stacking energy: -150.439
Base-Backbone interact. energy: -1.060
local terms energy: -157.986572
where:
bonds (distance) C4'-P energy: -25.634
bonds (distance) P-C4' energy: -27.898
flat angles C4'-P-C4' energy: -34.033
flat angles P-C4'-P energy: -23.264
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: 2, replica: 7
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -530.301536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.301536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.301536 (E_RNA)
where:
Base-Base interactions energy: -381.211
where: short stacking energy: -152.507
Base-Backbone interact. energy: -0.314
local terms energy: -148.776965
where:
bonds (distance) C4'-P energy: -28.048
bonds (distance) P-C4' energy: -24.243
flat angles C4'-P-C4' energy: -28.917
flat angles P-C4'-P energy: -24.442
tors. eta vs tors. theta energy: -43.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -461.168051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.168051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.168051 (E_RNA)
where:
Base-Base interactions energy: -310.168
where: short stacking energy: -130.454
Base-Backbone interact. energy: -0.100
local terms energy: -150.900011
where:
bonds (distance) C4'-P energy: -27.749
bonds (distance) P-C4' energy: -29.555
flat angles C4'-P-C4' energy: -28.054
flat angles P-C4'-P energy: -20.631
tors. eta vs tors. theta energy: -44.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -503.978399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.978399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.978399 (E_RNA)
where:
Base-Base interactions energy: -353.197
where: short stacking energy: -142.866
Base-Backbone interact. energy: -0.381
local terms energy: -150.399912
where:
bonds (distance) C4'-P energy: -28.277
bonds (distance) P-C4' energy: -27.422
flat angles C4'-P-C4' energy: -31.494
flat angles P-C4'-P energy: -21.547
tors. eta vs tors. theta energy: -41.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -451.347037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.347037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.347037 (E_RNA)
where:
Base-Base interactions energy: -315.172
where: short stacking energy: -135.971
Base-Backbone interact. energy: -0.513
local terms energy: -135.661887
where:
bonds (distance) C4'-P energy: -23.663
bonds (distance) P-C4' energy: -21.752
flat angles C4'-P-C4' energy: -28.749
flat angles P-C4'-P energy: -17.732
tors. eta vs tors. theta energy: -43.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -433.832555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.832555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.832555 (E_RNA)
where:
Base-Base interactions energy: -298.360
where: short stacking energy: -122.073
Base-Backbone interact. energy: -0.804
local terms energy: -134.668484
where:
bonds (distance) C4'-P energy: -31.427
bonds (distance) P-C4' energy: -28.368
flat angles C4'-P-C4' energy: -23.749
flat angles P-C4'-P energy: -17.531
tors. eta vs tors. theta energy: -33.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -390.484266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.484266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.484266 (E_RNA)
where:
Base-Base interactions energy: -261.119
where: short stacking energy: -114.449
Base-Backbone interact. energy: -0.212
local terms energy: -129.153063
where:
bonds (distance) C4'-P energy: -28.295
bonds (distance) P-C4' energy: -22.488
flat angles C4'-P-C4' energy: -26.844
flat angles P-C4'-P energy: -19.164
tors. eta vs tors. theta energy: -32.362
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: 187
Temperature: 1.250000
Total energy: -337.455911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.455911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.455911 (E_RNA)
where:
Base-Base interactions energy: -229.661
where: short stacking energy: -101.740
Base-Backbone interact. energy: -0.279
local terms energy: -107.515567
where:
bonds (distance) C4'-P energy: -20.919
bonds (distance) P-C4' energy: -23.319
flat angles C4'-P-C4' energy: -26.983
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -24.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -222.799772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.799772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.799772 (E_RNA)
where:
Base-Base interactions energy: -121.191
where: short stacking energy: -73.044
Base-Backbone interact. energy: -0.466
local terms energy: -101.142632
where:
bonds (distance) C4'-P energy: -21.353
bonds (distance) P-C4' energy: -27.925
flat angles C4'-P-C4' energy: -21.737
flat angles P-C4'-P energy: -20.404
tors. eta vs tors. theta energy: -9.724
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: 10
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -135.095270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.095270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.095270 (E_RNA)
where:
Base-Base interactions energy: -52.289
where: short stacking energy: -51.708
Base-Backbone interact. energy: 0.036
local terms energy: -82.841620
where:
bonds (distance) C4'-P energy: -25.208
bonds (distance) P-C4' energy: -27.234
flat angles C4'-P-C4' energy: -17.777
flat angles P-C4'-P energy: -15.246
tors. eta vs tors. theta energy: 2.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -531.500442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.500442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.500442 (E_RNA)
where:
Base-Base interactions energy: -374.224
where: short stacking energy: -158.395
Base-Backbone interact. energy: -0.022
local terms energy: -157.254783
where:
bonds (distance) C4'-P energy: -26.191
bonds (distance) P-C4' energy: -27.636
flat angles C4'-P-C4' energy: -31.723
flat angles P-C4'-P energy: -25.104
tors. eta vs tors. theta energy: -46.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -526.751073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.751073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.751073 (E_RNA)
where:
Base-Base interactions energy: -366.535
where: short stacking energy: -145.344
Base-Backbone interact. energy: -0.328
local terms energy: -159.888197
where:
bonds (distance) C4'-P energy: -27.330
bonds (distance) P-C4' energy: -34.928
flat angles C4'-P-C4' energy: -30.760
flat angles P-C4'-P energy: -22.621
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: 6
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -529.015748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.015748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.015748 (E_RNA)
where:
Base-Base interactions energy: -364.847
where: short stacking energy: -159.803
Base-Backbone interact. energy: -1.133
local terms energy: -163.036347
where:
bonds (distance) C4'-P energy: -28.627
bonds (distance) P-C4' energy: -29.887
flat angles C4'-P-C4' energy: -30.978
flat angles P-C4'-P energy: -26.259
tors. eta vs tors. theta energy: -47.285
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: 4, replica: 3
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -459.879761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.879761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.879761 (E_RNA)
where:
Base-Base interactions energy: -316.034
where: short stacking energy: -140.721
Base-Backbone interact. energy: -0.843
local terms energy: -143.003505
where:
bonds (distance) C4'-P energy: -22.672
bonds (distance) P-C4' energy: -27.471
flat angles C4'-P-C4' energy: -31.468
flat angles P-C4'-P energy: -18.036
tors. eta vs tors. theta energy: -43.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -460.118622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.118622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.118622 (E_RNA)
where:
Base-Base interactions energy: -315.107
where: short stacking energy: -123.073
Base-Backbone interact. energy: 0.146
local terms energy: -145.157299
where:
bonds (distance) C4'-P energy: -22.191
bonds (distance) P-C4' energy: -30.338
flat angles C4'-P-C4' energy: -29.542
flat angles P-C4'-P energy: -21.086
tors. eta vs tors. theta energy: -42.000
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: 2
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -437.252483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.252483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.252483 (E_RNA)
where:
Base-Base interactions energy: -319.334
where: short stacking energy: -131.691
Base-Backbone interact. energy: -0.096
local terms energy: -117.821936
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -25.817
flat angles C4'-P-C4' energy: -25.702
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -42.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -355.639251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.639251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.639251 (E_RNA)
where:
Base-Base interactions energy: -238.239
where: short stacking energy: -94.017
Base-Backbone interact. energy: -0.599
local terms energy: -116.801088
where:
bonds (distance) C4'-P energy: -23.733
bonds (distance) P-C4' energy: -27.381
flat angles C4'-P-C4' energy: -25.399
flat angles P-C4'-P energy: -17.286
tors. eta vs tors. theta energy: -23.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -364.700634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.700634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.700634 (E_RNA)
where:
Base-Base interactions energy: -257.713
where: short stacking energy: -93.515
Base-Backbone interact. energy: 0.062
local terms energy: -107.049634
where:
bonds (distance) C4'-P energy: -17.103
bonds (distance) P-C4' energy: -23.982
flat angles C4'-P-C4' energy: -29.972
flat angles P-C4'-P energy: -16.655
tors. eta vs tors. theta energy: -19.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -152.620626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.620626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.620626 (E_RNA)
where:
Base-Base interactions energy: -60.843
where: short stacking energy: -57.616
Base-Backbone interact. energy: -0.022
local terms energy: -91.755379
where:
bonds (distance) C4'-P energy: -31.493
bonds (distance) P-C4' energy: -22.068
flat angles C4'-P-C4' energy: -26.258
flat angles P-C4'-P energy: -1.881
tors. eta vs tors. theta energy: -10.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -193.770381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.770381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.770381 (E_RNA)
where:
Base-Base interactions energy: -92.805
where: short stacking energy: -49.797
Base-Backbone interact. energy: -0.564
local terms energy: -100.401325
where:
bonds (distance) C4'-P energy: -23.046
bonds (distance) P-C4' energy: -28.558
flat angles C4'-P-C4' energy: -22.076
flat angles P-C4'-P energy: -17.814
tors. eta vs tors. theta energy: -8.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -531.198986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.198986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.198986 (E_RNA)
where:
Base-Base interactions energy: -378.994
where: short stacking energy: -153.995
Base-Backbone interact. energy: -0.092
local terms energy: -152.112914
where:
bonds (distance) C4'-P energy: -21.610
bonds (distance) P-C4' energy: -31.629
flat angles C4'-P-C4' energy: -30.111
flat angles P-C4'-P energy: -25.057
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: 2, replica: 6
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -538.390304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.390304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.390304 (E_RNA)
where:
Base-Base interactions energy: -374.959
where: short stacking energy: -158.467
Base-Backbone interact. energy: -0.474
local terms energy: -162.958094
where:
bonds (distance) C4'-P energy: -33.164
bonds (distance) P-C4' energy: -22.614
flat angles C4'-P-C4' energy: -33.794
flat angles P-C4'-P energy: -23.070
tors. eta vs tors. theta energy: -50.316
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: 189
Temperature: 1.000000
Total energy: -527.129310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.129310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.129310 (E_RNA)
where:
Base-Base interactions energy: -371.574
where: short stacking energy: -157.148
Base-Backbone interact. energy: -0.032
local terms energy: -155.523267
where:
bonds (distance) C4'-P energy: -27.383
bonds (distance) P-C4' energy: -22.401
flat angles C4'-P-C4' energy: -34.063
flat angles P-C4'-P energy: -23.301
tors. eta vs tors. theta energy: -48.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -453.452818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.452818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.452818 (E_RNA)
where:
Base-Base interactions energy: -312.286
where: short stacking energy: -146.555
Base-Backbone interact. energy: -0.023
local terms energy: -141.143755
where:
bonds (distance) C4'-P energy: -27.850
bonds (distance) P-C4' energy: -21.434
flat angles C4'-P-C4' energy: -27.588
flat angles P-C4'-P energy: -18.786
tors. eta vs tors. theta energy: -45.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -444.413163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.413163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.413163 (E_RNA)
where:
Base-Base interactions energy: -305.997
where: short stacking energy: -135.664
Base-Backbone interact. energy: -1.673
local terms energy: -136.743125
where:
bonds (distance) C4'-P energy: -29.060
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -33.124
flat angles P-C4'-P energy: -17.631
tors. eta vs tors. theta energy: -35.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -439.138982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.138982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.138982 (E_RNA)
where:
Base-Base interactions energy: -305.430
where: short stacking energy: -149.470
Base-Backbone interact. energy: -0.157
local terms energy: -133.552214
where:
bonds (distance) C4'-P energy: -22.003
bonds (distance) P-C4' energy: -20.417
flat angles C4'-P-C4' energy: -29.332
flat angles P-C4'-P energy: -14.216
tors. eta vs tors. theta energy: -47.584
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: 1
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -350.746579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.746579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.746579 (E_RNA)
where:
Base-Base interactions energy: -244.331
where: short stacking energy: -110.542
Base-Backbone interact. energy: -0.297
local terms energy: -106.119223
where:
bonds (distance) C4'-P energy: -25.726
bonds (distance) P-C4' energy: -26.383
flat angles C4'-P-C4' energy: -22.329
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -22.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -351.801605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.801605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.801605 (E_RNA)
where:
Base-Base interactions energy: -241.871
where: short stacking energy: -102.272
Base-Backbone interact. energy: -0.764
local terms energy: -109.166922
where:
bonds (distance) C4'-P energy: -24.866
bonds (distance) P-C4' energy: -20.022
flat angles C4'-P-C4' energy: -26.376
flat angles P-C4'-P energy: -14.330
tors. eta vs tors. theta energy: -23.572
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: 10
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -136.929985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.929985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.929985 (E_RNA)
where:
Base-Base interactions energy: -53.623
where: short stacking energy: -47.339
Base-Backbone interact. energy: 1.131
local terms energy: -84.437717
where:
bonds (distance) C4'-P energy: -27.162
bonds (distance) P-C4' energy: -31.012
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -6.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -203.481334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.481334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.481334 (E_RNA)
where:
Base-Base interactions energy: -120.577
where: short stacking energy: -59.796
Base-Backbone interact. energy: -0.176
local terms energy: -82.728332
where:
bonds (distance) C4'-P energy: -25.274
bonds (distance) P-C4' energy: -19.437
flat angles C4'-P-C4' energy: -22.358
flat angles P-C4'-P energy: -17.124
tors. eta vs tors. theta energy: 1.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -543.612800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.612800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.612800 (E_RNA)
where:
Base-Base interactions energy: -386.558
where: short stacking energy: -152.149
Base-Backbone interact. energy: -0.629
local terms energy: -156.426601
where:
bonds (distance) C4'-P energy: -25.757
bonds (distance) P-C4' energy: -24.858
flat angles C4'-P-C4' energy: -32.928
flat angles P-C4'-P energy: -26.007
tors. eta vs tors. theta energy: -46.877
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: 7
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -525.248956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.248956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.248956 (E_RNA)
where:
Base-Base interactions energy: -367.119
where: short stacking energy: -159.528
Base-Backbone interact. energy: -0.134
local terms energy: -157.996022
where:
bonds (distance) C4'-P energy: -29.210
bonds (distance) P-C4' energy: -28.658
flat angles C4'-P-C4' energy: -30.977
flat angles P-C4'-P energy: -25.222
tors. eta vs tors. theta energy: -43.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -530.558866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.558866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.558866 (E_RNA)
where:
Base-Base interactions energy: -372.305
where: short stacking energy: -157.863
Base-Backbone interact. energy: -0.299
local terms energy: -157.955097
where:
bonds (distance) C4'-P energy: -29.218
bonds (distance) P-C4' energy: -25.967
flat angles C4'-P-C4' energy: -33.691
flat angles P-C4'-P energy: -23.112
tors. eta vs tors. theta energy: -45.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -468.834778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.834778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.834778 (E_RNA)
where:
Base-Base interactions energy: -316.869
where: short stacking energy: -152.899
Base-Backbone interact. energy: -0.218
local terms energy: -151.748233
where:
bonds (distance) C4'-P energy: -26.632
bonds (distance) P-C4' energy: -25.376
flat angles C4'-P-C4' energy: -31.300
flat angles P-C4'-P energy: -22.310
tors. eta vs tors. theta energy: -46.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -450.768801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.768801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.768801 (E_RNA)
where:
Base-Base interactions energy: -317.546
where: short stacking energy: -129.846
Base-Backbone interact. energy: -0.080
local terms energy: -133.142923
where:
bonds (distance) C4'-P energy: -24.213
bonds (distance) P-C4' energy: -23.319
flat angles C4'-P-C4' energy: -28.452
flat angles P-C4'-P energy: -20.685
tors. eta vs tors. theta energy: -36.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -438.293331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.293331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.293331 (E_RNA)
where:
Base-Base interactions energy: -294.942
where: short stacking energy: -123.778
Base-Backbone interact. energy: -0.473
local terms energy: -142.878142
where:
bonds (distance) C4'-P energy: -24.969
bonds (distance) P-C4' energy: -28.343
flat angles C4'-P-C4' energy: -27.162
flat angles P-C4'-P energy: -23.151
tors. eta vs tors. theta energy: -39.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -366.623899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.623899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.623899 (E_RNA)
where:
Base-Base interactions energy: -250.989
where: short stacking energy: -101.930
Base-Backbone interact. energy: -0.264
local terms energy: -115.370274
where:
bonds (distance) C4'-P energy: -24.224
bonds (distance) P-C4' energy: -25.277
flat angles C4'-P-C4' energy: -24.807
flat angles P-C4'-P energy: -21.413
tors. eta vs tors. theta energy: -19.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -327.704481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.704481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.704481 (E_RNA)
where:
Base-Base interactions energy: -221.146
where: short stacking energy: -88.826
Base-Backbone interact. energy: -0.425
local terms energy: -106.132870
where:
bonds (distance) C4'-P energy: -20.554
bonds (distance) P-C4' energy: -28.549
flat angles C4'-P-C4' energy: -19.198
flat angles P-C4'-P energy: -16.830
tors. eta vs tors. theta energy: -21.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -205.818465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.818465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.818465 (E_RNA)
where:
Base-Base interactions energy: -119.931
where: short stacking energy: -68.433
Base-Backbone interact. energy: 2.352
local terms energy: -88.239402
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -21.523
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -18.866
tors. eta vs tors. theta energy: -12.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -165.053552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.053552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.053552 (E_RNA)
where:
Base-Base interactions energy: -71.810
where: short stacking energy: -57.178
Base-Backbone interact. energy: -0.272
local terms energy: -92.970890
where:
bonds (distance) C4'-P energy: -24.690
bonds (distance) P-C4' energy: -25.353
flat angles C4'-P-C4' energy: -27.360
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -7.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -534.769237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.769237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.769237 (E_RNA)
where:
Base-Base interactions energy: -377.081
where: short stacking energy: -154.210
Base-Backbone interact. energy: -0.610
local terms energy: -157.078478
where:
bonds (distance) C4'-P energy: -26.928
bonds (distance) P-C4' energy: -28.667
flat angles C4'-P-C4' energy: -32.311
flat angles P-C4'-P energy: -23.743
tors. eta vs tors. theta energy: -45.430
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: 7
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -528.882538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.882538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.882538 (E_RNA)
where:
Base-Base interactions energy: -367.567
where: short stacking energy: -153.273
Base-Backbone interact. energy: -0.165
local terms energy: -161.149800
where:
bonds (distance) C4'-P energy: -28.263
bonds (distance) P-C4' energy: -27.348
flat angles C4'-P-C4' energy: -32.919
flat angles P-C4'-P energy: -23.714
tors. eta vs tors. theta energy: -48.905
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: 8
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -531.799354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.799354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.799354 (E_RNA)
where:
Base-Base interactions energy: -377.769
where: short stacking energy: -148.658
Base-Backbone interact. energy: -0.756
local terms energy: -153.275070
where:
bonds (distance) C4'-P energy: -25.865
bonds (distance) P-C4' energy: -29.388
flat angles C4'-P-C4' energy: -29.970
flat angles P-C4'-P energy: -23.007
tors. eta vs tors. theta energy: -45.046
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: 3
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -457.166849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.166849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.166849 (E_RNA)
where:
Base-Base interactions energy: -317.195
where: short stacking energy: -137.275
Base-Backbone interact. energy: -0.069
local terms energy: -139.903641
where:
bonds (distance) C4'-P energy: -24.189
bonds (distance) P-C4' energy: -31.490
flat angles C4'-P-C4' energy: -26.651
flat angles P-C4'-P energy: -18.283
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: 9
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -430.938668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.938668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.938668 (E_RNA)
where:
Base-Base interactions energy: -299.088
where: short stacking energy: -123.974
Base-Backbone interact. energy: -0.489
local terms energy: -131.361445
where:
bonds (distance) C4'-P energy: -19.533
bonds (distance) P-C4' energy: -31.878
flat angles C4'-P-C4' energy: -29.082
flat angles P-C4'-P energy: -19.149
tors. eta vs tors. theta energy: -31.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -436.082160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.082160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.082160 (E_RNA)
where:
Base-Base interactions energy: -306.258
where: short stacking energy: -131.608
Base-Backbone interact. energy: -0.266
local terms energy: -129.558565
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -29.886
flat angles P-C4'-P energy: -18.965
tors. eta vs tors. theta energy: -41.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -377.345478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.345478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.345478 (E_RNA)
where:
Base-Base interactions energy: -262.413
where: short stacking energy: -113.291
Base-Backbone interact. energy: -0.286
local terms energy: -114.646232
where:
bonds (distance) C4'-P energy: -22.040
bonds (distance) P-C4' energy: -26.037
flat angles C4'-P-C4' energy: -29.356
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -22.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -315.208298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.208298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.208298 (E_RNA)
where:
Base-Base interactions energy: -205.890
where: short stacking energy: -93.776
Base-Backbone interact. energy: -0.909
local terms energy: -108.409349
where:
bonds (distance) C4'-P energy: -26.019
bonds (distance) P-C4' energy: -23.481
flat angles C4'-P-C4' energy: -25.805
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -20.345
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: 5
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -214.215991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.215991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.215991 (E_RNA)
where:
Base-Base interactions energy: -125.464
where: short stacking energy: -65.696
Base-Backbone interact. energy: 6.246
local terms energy: -94.997967
where:
bonds (distance) C4'-P energy: -29.170
bonds (distance) P-C4' energy: -27.412
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -12.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -119.409553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.409553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.409553 (E_RNA)
where:
Base-Base interactions energy: -37.692
where: short stacking energy: -32.820
Base-Backbone interact. energy: 0.638
local terms energy: -82.356199
where:
bonds (distance) C4'-P energy: -25.519
bonds (distance) P-C4' energy: -26.909
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: 0.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -533.415224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.415224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.415224 (E_RNA)
where:
Base-Base interactions energy: -378.645
where: short stacking energy: -162.101
Base-Backbone interact. energy: 0.336
local terms energy: -155.105831
where:
bonds (distance) C4'-P energy: -27.144
bonds (distance) P-C4' energy: -27.443
flat angles C4'-P-C4' energy: -30.608
flat angles P-C4'-P energy: -22.220
tors. eta vs tors. theta energy: -47.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -531.423275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.423275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.423275 (E_RNA)
where:
Base-Base interactions energy: -378.754
where: short stacking energy: -156.378
Base-Backbone interact. energy: -0.055
local terms energy: -152.614998
where:
bonds (distance) C4'-P energy: -28.286
bonds (distance) P-C4' energy: -23.991
flat angles C4'-P-C4' energy: -29.582
flat angles P-C4'-P energy: -24.720
tors. eta vs tors. theta energy: -46.036
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: 8
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -519.745474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.745474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.745474 (E_RNA)
where:
Base-Base interactions energy: -365.669
where: short stacking energy: -146.847
Base-Backbone interact. energy: -0.101
local terms energy: -153.976125
where:
bonds (distance) C4'-P energy: -28.608
bonds (distance) P-C4' energy: -21.633
flat angles C4'-P-C4' energy: -32.091
flat angles P-C4'-P energy: -25.294
tors. eta vs tors. theta energy: -46.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -452.087134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.087134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.087134 (E_RNA)
where:
Base-Base interactions energy: -305.242
where: short stacking energy: -134.648
Base-Backbone interact. energy: -0.282
local terms energy: -146.563494
where:
bonds (distance) C4'-P energy: -30.516
bonds (distance) P-C4' energy: -29.360
flat angles C4'-P-C4' energy: -27.719
flat angles P-C4'-P energy: -19.195
tors. eta vs tors. theta energy: -39.773
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: 9
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -399.606849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.606849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.606849 (E_RNA)
where:
Base-Base interactions energy: -271.365
where: short stacking energy: -120.144
Base-Backbone interact. energy: 0.161
local terms energy: -128.403118
where:
bonds (distance) C4'-P energy: -24.181
bonds (distance) P-C4' energy: -23.177
flat angles C4'-P-C4' energy: -28.512
flat angles P-C4'-P energy: -18.473
tors. eta vs tors. theta energy: -34.061
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: 2
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -450.002115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.002115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.002115 (E_RNA)
where:
Base-Base interactions energy: -303.094
where: short stacking energy: -148.070
Base-Backbone interact. energy: -0.003
local terms energy: -146.905576
where:
bonds (distance) C4'-P energy: -24.105
bonds (distance) P-C4' energy: -24.717
flat angles C4'-P-C4' energy: -28.432
flat angles P-C4'-P energy: -22.906
tors. eta vs tors. theta energy: -46.745
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: 7, replica: 4
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -385.422432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.422432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.422432 (E_RNA)
where:
Base-Base interactions energy: -277.678
where: short stacking energy: -124.664
Base-Backbone interact. energy: 0.472
local terms energy: -108.216538
where:
bonds (distance) C4'-P energy: -19.077
bonds (distance) P-C4' energy: -20.933
flat angles C4'-P-C4' energy: -24.360
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -32.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -279.603477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.603477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.603477 (E_RNA)
where:
Base-Base interactions energy: -184.045
where: short stacking energy: -74.061
Base-Backbone interact. energy: 0.969
local terms energy: -96.527923
where:
bonds (distance) C4'-P energy: -26.131
bonds (distance) P-C4' energy: -23.816
flat angles C4'-P-C4' energy: -24.093
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -8.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -220.048106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.048106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.048106 (E_RNA)
where:
Base-Base interactions energy: -117.584
where: short stacking energy: -69.511
Base-Backbone interact. energy: -0.228
local terms energy: -102.236085
where:
bonds (distance) C4'-P energy: -26.600
bonds (distance) P-C4' energy: -25.888
flat angles C4'-P-C4' energy: -21.261
flat angles P-C4'-P energy: -16.651
tors. eta vs tors. theta energy: -11.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -137.709890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.709890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.709890 (E_RNA)
where:
Base-Base interactions energy: -46.129
where: short stacking energy: -46.129
Base-Backbone interact. energy: -0.206
local terms energy: -91.374393
where:
bonds (distance) C4'-P energy: -24.383
bonds (distance) P-C4' energy: -27.683
flat angles C4'-P-C4' energy: -22.979
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -3.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -530.716038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.716038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.716038 (E_RNA)
where:
Base-Base interactions energy: -374.010
where: short stacking energy: -165.331
Base-Backbone interact. energy: -0.083
local terms energy: -156.622556
where:
bonds (distance) C4'-P energy: -25.298
bonds (distance) P-C4' energy: -30.971
flat angles C4'-P-C4' energy: -33.996
flat angles P-C4'-P energy: -20.112
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: 2, replica: 6
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -524.161215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.161215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.161215 (E_RNA)
where:
Base-Base interactions energy: -369.013
where: short stacking energy: -152.045
Base-Backbone interact. energy: -0.078
local terms energy: -155.071022
where:
bonds (distance) C4'-P energy: -29.017
bonds (distance) P-C4' energy: -26.711
flat angles C4'-P-C4' energy: -28.363
flat angles P-C4'-P energy: -22.745
tors. eta vs tors. theta energy: -48.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -531.807560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.807560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.807560 (E_RNA)
where:
Base-Base interactions energy: -375.358
where: short stacking energy: -156.648
Base-Backbone interact. energy: -0.235
local terms energy: -156.214071
where:
bonds (distance) C4'-P energy: -25.657
bonds (distance) P-C4' energy: -29.076
flat angles C4'-P-C4' energy: -33.519
flat angles P-C4'-P energy: -18.597
tors. eta vs tors. theta energy: -49.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -455.410408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.410408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.410408 (E_RNA)
where:
Base-Base interactions energy: -306.720
where: short stacking energy: -136.930
Base-Backbone interact. energy: -0.490
local terms energy: -148.200547
where:
bonds (distance) C4'-P energy: -24.328
bonds (distance) P-C4' energy: -32.384
flat angles C4'-P-C4' energy: -28.001
flat angles P-C4'-P energy: -20.478
tors. eta vs tors. theta energy: -43.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -423.620344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.620344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.620344 (E_RNA)
where:
Base-Base interactions energy: -296.179
where: short stacking energy: -127.374
Base-Backbone interact. energy: -0.146
local terms energy: -127.295603
where:
bonds (distance) C4'-P energy: -26.685
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -28.153
flat angles P-C4'-P energy: -15.564
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: 6, replica: 2
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -441.530070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.530070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.530070 (E_RNA)
where:
Base-Base interactions energy: -305.270
where: short stacking energy: -136.017
Base-Backbone interact. energy: -0.143
local terms energy: -136.117239
where:
bonds (distance) C4'-P energy: -24.845
bonds (distance) P-C4' energy: -32.204
flat angles C4'-P-C4' energy: -26.046
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -39.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -360.235794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.235794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.235794 (E_RNA)
where:
Base-Base interactions energy: -240.170
where: short stacking energy: -101.833
Base-Backbone interact. energy: -0.750
local terms energy: -119.315738
where:
bonds (distance) C4'-P energy: -28.185
bonds (distance) P-C4' energy: -22.078
flat angles C4'-P-C4' energy: -25.756
flat angles P-C4'-P energy: -20.209
tors. eta vs tors. theta energy: -23.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -284.573364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.573364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.573364 (E_RNA)
where:
Base-Base interactions energy: -194.718
where: short stacking energy: -81.094
Base-Backbone interact. energy: 0.560
local terms energy: -90.415463
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -21.757
flat angles C4'-P-C4' energy: -28.268
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -10.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -210.019914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.019914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.019914 (E_RNA)
where:
Base-Base interactions energy: -113.935
where: short stacking energy: -64.753
Base-Backbone interact. energy: -1.216
local terms energy: -94.868545
where:
bonds (distance) C4'-P energy: -27.469
bonds (distance) P-C4' energy: -20.057
flat angles C4'-P-C4' energy: -18.464
flat angles P-C4'-P energy: -19.346
tors. eta vs tors. theta energy: -9.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -134.966557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.966557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.966557 (E_RNA)
where:
Base-Base interactions energy: -49.172
where: short stacking energy: -39.615
Base-Backbone interact. energy: -0.560
local terms energy: -85.234419
where:
bonds (distance) C4'-P energy: -25.833
bonds (distance) P-C4' energy: -29.256
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -18.242
tors. eta vs tors. theta energy: 4.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -537.093729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.093729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.093729 (E_RNA)
where:
Base-Base interactions energy: -384.640
where: short stacking energy: -155.188
Base-Backbone interact. energy: -0.421
local terms energy: -152.032265
where:
bonds (distance) C4'-P energy: -32.441
bonds (distance) P-C4' energy: -28.076
flat angles C4'-P-C4' energy: -26.449
flat angles P-C4'-P energy: -18.742
tors. eta vs tors. theta energy: -46.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -531.870253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.870253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.870253 (E_RNA)
where:
Base-Base interactions energy: -371.628
where: short stacking energy: -148.714
Base-Backbone interact. energy: -0.478
local terms energy: -159.764362
where:
bonds (distance) C4'-P energy: -31.702
bonds (distance) P-C4' energy: -30.615
flat angles C4'-P-C4' energy: -31.692
flat angles P-C4'-P energy: -20.978
tors. eta vs tors. theta energy: -44.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -464.506081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.506081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.506081 (E_RNA)
where:
Base-Base interactions energy: -313.112
where: short stacking energy: -148.217
Base-Backbone interact. energy: -0.983
local terms energy: -150.410852
where:
bonds (distance) C4'-P energy: -23.779
bonds (distance) P-C4' energy: -30.135
flat angles C4'-P-C4' energy: -29.123
flat angles P-C4'-P energy: -21.984
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: 8
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -523.504651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.504651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.504651 (E_RNA)
where:
Base-Base interactions energy: -360.916
where: short stacking energy: -156.573
Base-Backbone interact. energy: -0.596
local terms energy: -161.992443
where:
bonds (distance) C4'-P energy: -28.838
bonds (distance) P-C4' energy: -31.141
flat angles C4'-P-C4' energy: -29.081
flat angles P-C4'-P energy: -26.536
tors. eta vs tors. theta energy: -46.395
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: 5, replica: 2
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -447.095940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.095940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.095940 (E_RNA)
where:
Base-Base interactions energy: -312.892
where: short stacking energy: -134.543
Base-Backbone interact. energy: -0.181
local terms energy: -134.023095
where:
bonds (distance) C4'-P energy: -21.499
bonds (distance) P-C4' energy: -29.047
flat angles C4'-P-C4' energy: -25.981
flat angles P-C4'-P energy: -20.073
tors. eta vs tors. theta energy: -37.424
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: 6, replica: 9
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -432.653652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.653652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.653652 (E_RNA)
where:
Base-Base interactions energy: -290.311
where: short stacking energy: -124.009
Base-Backbone interact. energy: -0.619
local terms energy: -141.723755
where:
bonds (distance) C4'-P energy: -24.541
bonds (distance) P-C4' energy: -31.112
flat angles C4'-P-C4' energy: -31.113
flat angles P-C4'-P energy: -19.592
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: 7, replica: 4
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -368.202355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.202355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.202355 (E_RNA)
where:
Base-Base interactions energy: -257.077
where: short stacking energy: -106.495
Base-Backbone interact. energy: 1.707
local terms energy: -112.832358
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -29.033
flat angles C4'-P-C4' energy: -26.532
flat angles P-C4'-P energy: -18.242
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: 8, replica: 1
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -282.791970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.791970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.791970 (E_RNA)
where:
Base-Base interactions energy: -178.702
where: short stacking energy: -72.540
Base-Backbone interact. energy: -0.348
local terms energy: -103.742066
where:
bonds (distance) C4'-P energy: -26.758
bonds (distance) P-C4' energy: -27.720
flat angles C4'-P-C4' energy: -27.742
flat angles P-C4'-P energy: -17.260
tors. eta vs tors. theta energy: -4.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -136.257920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.257920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.257920 (E_RNA)
where:
Base-Base interactions energy: -56.540
where: short stacking energy: -50.107
Base-Backbone interact. energy: -0.814
local terms energy: -78.903615
where:
bonds (distance) C4'-P energy: -21.114
bonds (distance) P-C4' energy: -26.941
flat angles C4'-P-C4' energy: -23.477
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: 4.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -190.351291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.351291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.351291 (E_RNA)
where:
Base-Base interactions energy: -85.158
where: short stacking energy: -36.666
Base-Backbone interact. energy: 0.229
local terms energy: -105.421836
where:
bonds (distance) C4'-P energy: -20.852
bonds (distance) P-C4' energy: -31.136
flat angles C4'-P-C4' energy: -29.523
flat angles P-C4'-P energy: -21.962
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: 6
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -541.190762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.190762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.190762 (E_RNA)
where:
Base-Base interactions energy: -380.781
where: short stacking energy: -163.576
Base-Backbone interact. energy: -0.061
local terms energy: -160.348729
where:
bonds (distance) C4'-P energy: -27.734
bonds (distance) P-C4' energy: -31.277
flat angles C4'-P-C4' energy: -30.008
flat angles P-C4'-P energy: -22.392
tors. eta vs tors. theta energy: -48.937
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: 7
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -527.007989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.007989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.007989 (E_RNA)
where:
Base-Base interactions energy: -369.686
where: short stacking energy: -159.018
Base-Backbone interact. energy: -0.320
local terms energy: -157.002284
where:
bonds (distance) C4'-P energy: -26.157
bonds (distance) P-C4' energy: -28.193
flat angles C4'-P-C4' energy: -30.411
flat angles P-C4'-P energy: -24.660
tors. eta vs tors. theta energy: -47.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -471.939833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.939833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.939833 (E_RNA)
where:
Base-Base interactions energy: -324.809
where: short stacking energy: -158.528
Base-Backbone interact. energy: 0.158
local terms energy: -147.288641
where:
bonds (distance) C4'-P energy: -26.011
bonds (distance) P-C4' energy: -27.966
flat angles C4'-P-C4' energy: -29.457
flat angles P-C4'-P energy: -20.764
tors. eta vs tors. theta energy: -43.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -505.801227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.801227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.801227 (E_RNA)
where:
Base-Base interactions energy: -355.439
where: short stacking energy: -141.778
Base-Backbone interact. energy: -0.020
local terms energy: -150.342085
where:
bonds (distance) C4'-P energy: -26.277
bonds (distance) P-C4' energy: -30.594
flat angles C4'-P-C4' energy: -33.756
flat angles P-C4'-P energy: -19.459
tors. eta vs tors. theta energy: -40.256
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: 2
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -453.558935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.558935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.558935 (E_RNA)
where:
Base-Base interactions energy: -313.407
where: short stacking energy: -151.714
Base-Backbone interact. energy: -0.170
local terms energy: -139.981930
where:
bonds (distance) C4'-P energy: -22.378
bonds (distance) P-C4' energy: -25.426
flat angles C4'-P-C4' energy: -25.998
flat angles P-C4'-P energy: -19.393
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: 6, replica: 9
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -445.048014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.048014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.048014 (E_RNA)
where:
Base-Base interactions energy: -314.223
where: short stacking energy: -127.134
Base-Backbone interact. energy: -0.830
local terms energy: -129.994467
where:
bonds (distance) C4'-P energy: -24.003
bonds (distance) P-C4' energy: -27.158
flat angles C4'-P-C4' energy: -25.783
flat angles P-C4'-P energy: -22.448
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: 7, replica: 4
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -333.702551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.702551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.702551 (E_RNA)
where:
Base-Base interactions energy: -224.661
where: short stacking energy: -91.599
Base-Backbone interact. energy: -1.171
local terms energy: -107.870810
where:
bonds (distance) C4'-P energy: -20.758
bonds (distance) P-C4' energy: -30.172
flat angles C4'-P-C4' energy: -29.670
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -16.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -337.603976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.603976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.603976 (E_RNA)
where:
Base-Base interactions energy: -230.881
where: short stacking energy: -85.045
Base-Backbone interact. energy: -0.797
local terms energy: -105.925832
where:
bonds (distance) C4'-P energy: -24.782
bonds (distance) P-C4' energy: -25.131
flat angles C4'-P-C4' energy: -26.862
flat angles P-C4'-P energy: -15.154
tors. eta vs tors. theta energy: -13.997
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: 10
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -143.853404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.853404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.853404 (E_RNA)
where:
Base-Base interactions energy: -55.819
where: short stacking energy: -55.686
Base-Backbone interact. energy: -0.287
local terms energy: -87.747390
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -26.642
flat angles C4'-P-C4' energy: -25.284
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -7.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -200.170068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.170068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.170068 (E_RNA)
where:
Base-Base interactions energy: -114.420
where: short stacking energy: -59.149
Base-Backbone interact. energy: 5.404
local terms energy: -91.153634
where:
bonds (distance) C4'-P energy: -21.056
bonds (distance) P-C4' energy: -27.828
flat angles C4'-P-C4' energy: -26.097
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -5.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -534.108806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.108806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.108806 (E_RNA)
where:
Base-Base interactions energy: -374.672
where: short stacking energy: -153.586
Base-Backbone interact. energy: -0.007
local terms energy: -159.430639
where:
bonds (distance) C4'-P energy: -30.036
bonds (distance) P-C4' energy: -25.942
flat angles C4'-P-C4' energy: -31.696
flat angles P-C4'-P energy: -25.448
tors. eta vs tors. theta energy: -46.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -535.173966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.173966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.173966 (E_RNA)
where:
Base-Base interactions energy: -376.454
where: short stacking energy: -154.418
Base-Backbone interact. energy: 0.256
local terms energy: -158.975272
where:
bonds (distance) C4'-P energy: -31.316
bonds (distance) P-C4' energy: -27.557
flat angles C4'-P-C4' energy: -30.070
flat angles P-C4'-P energy: -23.052
tors. eta vs tors. theta energy: -46.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -502.717652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.717652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.717652 (E_RNA)
where:
Base-Base interactions energy: -357.463
where: short stacking energy: -145.003
Base-Backbone interact. energy: 0.351
local terms energy: -145.606103
where:
bonds (distance) C4'-P energy: -27.374
bonds (distance) P-C4' energy: -28.665
flat angles C4'-P-C4' energy: -28.619
flat angles P-C4'-P energy: -21.319
tors. eta vs tors. theta energy: -39.630
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: 3
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -463.959028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.959028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.959028 (E_RNA)
where:
Base-Base interactions energy: -320.603
where: short stacking energy: -135.829
Base-Backbone interact. energy: -0.553
local terms energy: -142.802947
where:
bonds (distance) C4'-P energy: -24.235
bonds (distance) P-C4' energy: -24.807
flat angles C4'-P-C4' energy: -31.828
flat angles P-C4'-P energy: -18.965
tors. eta vs tors. theta energy: -42.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -451.250416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.250416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.250416 (E_RNA)
where:
Base-Base interactions energy: -317.508
where: short stacking energy: -135.648
Base-Backbone interact. energy: -0.719
local terms energy: -133.023527
where:
bonds (distance) C4'-P energy: -20.263
bonds (distance) P-C4' energy: -24.344
flat angles C4'-P-C4' energy: -31.661
flat angles P-C4'-P energy: -18.008
tors. eta vs tors. theta energy: -38.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -417.937927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.937927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.937927 (E_RNA)
where:
Base-Base interactions energy: -286.263
where: short stacking energy: -124.127
Base-Backbone interact. energy: -0.975
local terms energy: -130.699437
where:
bonds (distance) C4'-P energy: -21.274
bonds (distance) P-C4' energy: -29.052
flat angles C4'-P-C4' energy: -29.311
flat angles P-C4'-P energy: -16.429
tors. eta vs tors. theta energy: -34.633
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: 7, replica: 4
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -340.104975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.104975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.104975 (E_RNA)
where:
Base-Base interactions energy: -229.184
where: short stacking energy: -102.814
Base-Backbone interact. energy: 0.637
local terms energy: -111.558458
where:
bonds (distance) C4'-P energy: -24.699
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -29.555
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -27.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -324.388806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.388806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.388806 (E_RNA)
where:
Base-Base interactions energy: -225.768
where: short stacking energy: -104.147
Base-Backbone interact. energy: 0.386
local terms energy: -99.007508
where:
bonds (distance) C4'-P energy: -21.715
bonds (distance) P-C4' energy: -22.882
flat angles C4'-P-C4' energy: -27.771
flat angles P-C4'-P energy: -6.034
tors. eta vs tors. theta energy: -20.606
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: 5
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -190.671341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.671341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.671341 (E_RNA)
where:
Base-Base interactions energy: -108.198
where: short stacking energy: -51.951
Base-Backbone interact. energy: -0.810
local terms energy: -81.662571
where:
bonds (distance) C4'-P energy: -19.251
bonds (distance) P-C4' energy: -19.164
flat angles C4'-P-C4' energy: -22.252
flat angles P-C4'-P energy: -18.309
tors. eta vs tors. theta energy: -2.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -137.072179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.072179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.072179 (E_RNA)
where:
Base-Base interactions energy: -44.811
where: short stacking energy: -44.811
Base-Backbone interact. energy: -2.352
local terms energy: -89.909351
where:
bonds (distance) C4'-P energy: -25.104
bonds (distance) P-C4' energy: -25.413
flat angles C4'-P-C4' energy: -22.486
flat angles P-C4'-P energy: -14.840
tors. eta vs tors. theta energy: -2.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -535.158970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.158970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.158970 (E_RNA)
where:
Base-Base interactions energy: -376.543
where: short stacking energy: -164.116
Base-Backbone interact. energy: -0.052
local terms energy: -158.563264
where:
bonds (distance) C4'-P energy: -29.930
bonds (distance) P-C4' energy: -24.529
flat angles C4'-P-C4' energy: -34.484
flat angles P-C4'-P energy: -24.409
tors. eta vs tors. theta energy: -45.210
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: 2, replica: 8
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -521.177799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.177799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.177799 (E_RNA)
where:
Base-Base interactions energy: -370.246
where: short stacking energy: -145.515
Base-Backbone interact. energy: -0.112
local terms energy: -150.820298
where:
bonds (distance) C4'-P energy: -18.546
bonds (distance) P-C4' energy: -30.937
flat angles C4'-P-C4' energy: -35.717
flat angles P-C4'-P energy: -22.820
tors. eta vs tors. theta energy: -42.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -518.152303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.152303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.152303 (E_RNA)
where:
Base-Base interactions energy: -370.557
where: short stacking energy: -158.759
Base-Backbone interact. energy: 1.231
local terms energy: -148.826163
where:
bonds (distance) C4'-P energy: -22.397
bonds (distance) P-C4' energy: -27.096
flat angles C4'-P-C4' energy: -31.317
flat angles P-C4'-P energy: -21.462
tors. eta vs tors. theta energy: -46.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -478.026721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.026721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.026721 (E_RNA)
where:
Base-Base interactions energy: -321.666
where: short stacking energy: -146.696
Base-Backbone interact. energy: -0.171
local terms energy: -156.189075
where:
bonds (distance) C4'-P energy: -27.536
bonds (distance) P-C4' energy: -28.258
flat angles C4'-P-C4' energy: -36.415
flat angles P-C4'-P energy: -20.899
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: 9
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -457.481967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.481967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.481967 (E_RNA)
where:
Base-Base interactions energy: -320.776
where: short stacking energy: -135.805
Base-Backbone interact. energy: -0.411
local terms energy: -136.294501
where:
bonds (distance) C4'-P energy: -28.854
bonds (distance) P-C4' energy: -30.403
flat angles C4'-P-C4' energy: -23.909
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -38.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -427.831772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.831772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.831772 (E_RNA)
where:
Base-Base interactions energy: -288.513
where: short stacking energy: -122.130
Base-Backbone interact. energy: -0.597
local terms energy: -138.721615
where:
bonds (distance) C4'-P energy: -29.348
bonds (distance) P-C4' energy: -24.415
flat angles C4'-P-C4' energy: -28.025
flat angles P-C4'-P energy: -21.540
tors. eta vs tors. theta energy: -35.393
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: 4
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -328.208814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.208814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.208814 (E_RNA)
where:
Base-Base interactions energy: -222.981
where: short stacking energy: -114.617
Base-Backbone interact. energy: -0.490
local terms energy: -104.738043
where:
bonds (distance) C4'-P energy: -21.786
bonds (distance) P-C4' energy: -19.655
flat angles C4'-P-C4' energy: -24.143
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -25.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -324.479478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.479478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.479478 (E_RNA)
where:
Base-Base interactions energy: -221.178
where: short stacking energy: -93.092
Base-Backbone interact. energy: -1.656
local terms energy: -101.645525
where:
bonds (distance) C4'-P energy: -18.598
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -28.387
flat angles P-C4'-P energy: -15.290
tors. eta vs tors. theta energy: -19.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -202.939272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.939272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.939272 (E_RNA)
where:
Base-Base interactions energy: -118.627
where: short stacking energy: -56.450
Base-Backbone interact. energy: 0.751
local terms energy: -85.063902
where:
bonds (distance) C4'-P energy: -20.046
bonds (distance) P-C4' energy: -26.254
flat angles C4'-P-C4' energy: -23.449
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -5.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -144.505955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.505955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.505955 (E_RNA)
where:
Base-Base interactions energy: -56.404
where: short stacking energy: -37.438
Base-Backbone interact. energy: 2.078
local terms energy: -90.180160
where:
bonds (distance) C4'-P energy: -28.569
bonds (distance) P-C4' energy: -29.270
flat angles C4'-P-C4' energy: -19.956
flat angles P-C4'-P energy: -14.070
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: 198
Temperature: 0.900000
Total energy: -538.767998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.767998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.767998 (E_RNA)
where:
Base-Base interactions energy: -384.681
where: short stacking energy: -143.902
Base-Backbone interact. energy: -0.463
local terms energy: -153.624001
where:
bonds (distance) C4'-P energy: -31.174
bonds (distance) P-C4' energy: -22.956
flat angles C4'-P-C4' energy: -34.311
flat angles P-C4'-P energy: -20.348
tors. eta vs tors. theta energy: -44.835
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: 7
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -530.356006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.356006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.356006 (E_RNA)
where:
Base-Base interactions energy: -377.916
where: short stacking energy: -156.635
Base-Backbone interact. energy: -0.016
local terms energy: -152.423966
where:
bonds (distance) C4'-P energy: -32.449
bonds (distance) P-C4' energy: -23.657
flat angles C4'-P-C4' energy: -28.163
flat angles P-C4'-P energy: -22.883
tors. eta vs tors. theta energy: -45.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -519.384246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.384246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.384246 (E_RNA)
where:
Base-Base interactions energy: -370.313
where: short stacking energy: -158.951
Base-Backbone interact. energy: 0.079
local terms energy: -149.150557
where:
bonds (distance) C4'-P energy: -25.925
bonds (distance) P-C4' energy: -24.977
flat angles C4'-P-C4' energy: -31.533
flat angles P-C4'-P energy: -20.626
tors. eta vs tors. theta energy: -46.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -467.816867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.816867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.816867 (E_RNA)
where:
Base-Base interactions energy: -320.412
where: short stacking energy: -145.044
Base-Backbone interact. energy: -0.936
local terms energy: -146.468001
where:
bonds (distance) C4'-P energy: -25.863
bonds (distance) P-C4' energy: -25.941
flat angles C4'-P-C4' energy: -28.504
flat angles P-C4'-P energy: -22.739
tors. eta vs tors. theta energy: -43.421
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: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -442.870941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.870941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.870941 (E_RNA)
where:
Base-Base interactions energy: -299.198
where: short stacking energy: -138.679
Base-Backbone interact. energy: -0.661
local terms energy: -143.011955
where:
bonds (distance) C4'-P energy: -21.868
bonds (distance) P-C4' energy: -24.148
flat angles C4'-P-C4' energy: -32.863
flat angles P-C4'-P energy: -19.497
tors. eta vs tors. theta energy: -44.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -421.575376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.575376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.575376 (E_RNA)
where:
Base-Base interactions energy: -280.505
where: short stacking energy: -121.018
Base-Backbone interact. energy: -0.360
local terms energy: -140.709859
where:
bonds (distance) C4'-P energy: -31.172
bonds (distance) P-C4' energy: -24.651
flat angles C4'-P-C4' energy: -27.727
flat angles P-C4'-P energy: -19.127
tors. eta vs tors. theta energy: -38.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -369.114926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.114926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.114926 (E_RNA)
where:
Base-Base interactions energy: -241.413
where: short stacking energy: -101.532
Base-Backbone interact. energy: -0.319
local terms energy: -127.382918
where:
bonds (distance) C4'-P energy: -25.323
bonds (distance) P-C4' energy: -28.929
flat angles C4'-P-C4' energy: -30.407
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -29.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -316.135740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.135740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.135740 (E_RNA)
where:
Base-Base interactions energy: -205.358
where: short stacking energy: -96.395
Base-Backbone interact. energy: -0.364
local terms energy: -110.413722
where:
bonds (distance) C4'-P energy: -22.216
bonds (distance) P-C4' energy: -28.374
flat angles C4'-P-C4' energy: -22.641
flat angles P-C4'-P energy: -15.418
tors. eta vs tors. theta energy: -21.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -139.402400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.402400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.402400 (E_RNA)
where:
Base-Base interactions energy: -47.739
where: short stacking energy: -47.839
Base-Backbone interact. energy: -0.123
local terms energy: -91.540408
where:
bonds (distance) C4'-P energy: -25.426
bonds (distance) P-C4' energy: -24.550
flat angles C4'-P-C4' energy: -21.503
flat angles P-C4'-P energy: -18.016
tors. eta vs tors. theta energy: -2.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -183.010665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.010665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.010665 (E_RNA)
where:
Base-Base interactions energy: -93.504
where: short stacking energy: -42.687
Base-Backbone interact. energy: -1.025
local terms energy: -88.481294
where:
bonds (distance) C4'-P energy: -22.530
bonds (distance) P-C4' energy: -29.927
flat angles C4'-P-C4' energy: -22.395
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -1.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -528.362802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.362802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.362802 (E_RNA)
where:
Base-Base interactions energy: -370.891
where: short stacking energy: -138.424
Base-Backbone interact. energy: -0.136
local terms energy: -157.335860
where:
bonds (distance) C4'-P energy: -32.167
bonds (distance) P-C4' energy: -30.217
flat angles C4'-P-C4' energy: -30.464
flat angles P-C4'-P energy: -22.244
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: 2, replica: 6
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -529.495735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.495735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.495735 (E_RNA)
where:
Base-Base interactions energy: -371.269
where: short stacking energy: -165.381
Base-Backbone interact. energy: -0.765
local terms energy: -157.461944
where:
bonds (distance) C4'-P energy: -31.774
bonds (distance) P-C4' energy: -23.759
flat angles C4'-P-C4' energy: -28.777
flat angles P-C4'-P energy: -25.361
tors. eta vs tors. theta energy: -47.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -519.683068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.683068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.683068 (E_RNA)
where:
Base-Base interactions energy: -364.791
where: short stacking energy: -155.023
Base-Backbone interact. energy: -0.021
local terms energy: -154.871634
where:
bonds (distance) C4'-P energy: -28.152
bonds (distance) P-C4' energy: -20.809
flat angles C4'-P-C4' energy: -34.196
flat angles P-C4'-P energy: -24.366
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: 4, replica: 2
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -459.782112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.782112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.782112 (E_RNA)
where:
Base-Base interactions energy: -313.738
where: short stacking energy: -148.224
Base-Backbone interact. energy: -0.000
local terms energy: -146.043866
where:
bonds (distance) C4'-P energy: -26.019
bonds (distance) P-C4' energy: -22.403
flat angles C4'-P-C4' energy: -29.474
flat angles P-C4'-P energy: -19.817
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: 5, replica: 3
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -435.690341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.690341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.690341 (E_RNA)
where:
Base-Base interactions energy: -304.395
where: short stacking energy: -131.694
Base-Backbone interact. energy: -0.897
local terms energy: -130.398917
where:
bonds (distance) C4'-P energy: -20.558
bonds (distance) P-C4' energy: -26.068
flat angles C4'-P-C4' energy: -27.757
flat angles P-C4'-P energy: -22.691
tors. eta vs tors. theta energy: -33.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -437.999819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.999819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.999819 (E_RNA)
where:
Base-Base interactions energy: -315.243
where: short stacking energy: -130.710
Base-Backbone interact. energy: -0.702
local terms energy: -122.054699
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -21.635
flat angles C4'-P-C4' energy: -24.686
flat angles P-C4'-P energy: -21.112
tors. eta vs tors. theta energy: -37.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -371.660648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.660648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.660648 (E_RNA)
where:
Base-Base interactions energy: -243.782
where: short stacking energy: -96.987
Base-Backbone interact. energy: -0.406
local terms energy: -127.472660
where:
bonds (distance) C4'-P energy: -27.207
bonds (distance) P-C4' energy: -28.752
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -22.752
tors. eta vs tors. theta energy: -24.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -313.791874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.791874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.791874 (E_RNA)
where:
Base-Base interactions energy: -198.950
where: short stacking energy: -84.832
Base-Backbone interact. energy: 0.439
local terms energy: -115.281236
where:
bonds (distance) C4'-P energy: -27.142
bonds (distance) P-C4' energy: -25.798
flat angles C4'-P-C4' energy: -26.062
flat angles P-C4'-P energy: -13.192
tors. eta vs tors. theta energy: -23.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -132.374502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.374502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.374502 (E_RNA)
where:
Base-Base interactions energy: -46.808
where: short stacking energy: -46.808
Base-Backbone interact. energy: -0.144
local terms energy: -85.422645
where:
bonds (distance) C4'-P energy: -21.275
bonds (distance) P-C4' energy: -24.262
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -8.861
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: 10, replica: 5
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -189.584034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.584034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.584034 (E_RNA)
where:
Base-Base interactions energy: -96.915
where: short stacking energy: -46.603
Base-Backbone interact. energy: -0.344
local terms energy: -92.324209
where:
bonds (distance) C4'-P energy: -25.008
bonds (distance) P-C4' energy: -28.101
flat angles C4'-P-C4' energy: -26.274
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -3.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -529.384534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.384534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.384534 (E_RNA)
where:
Base-Base interactions energy: -373.806
where: short stacking energy: -145.938
Base-Backbone interact. energy: -0.409
local terms energy: -155.170429
where:
bonds (distance) C4'-P energy: -31.694
bonds (distance) P-C4' energy: -31.606
flat angles C4'-P-C4' energy: -32.632
flat angles P-C4'-P energy: -17.454
tors. eta vs tors. theta energy: -41.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -536.296116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.296116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.296116 (E_RNA)
where:
Base-Base interactions energy: -386.744
where: short stacking energy: -157.326
Base-Backbone interact. energy: -0.839
local terms energy: -148.712881
where:
bonds (distance) C4'-P energy: -22.033
bonds (distance) P-C4' energy: -28.574
flat angles C4'-P-C4' energy: -28.457
flat angles P-C4'-P energy: -22.805
tors. eta vs tors. theta energy: -46.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -527.500753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.500753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.500753 (E_RNA)
where:
Base-Base interactions energy: -369.206
where: short stacking energy: -148.828
Base-Backbone interact. energy: -0.375
local terms energy: -157.919473
where:
bonds (distance) C4'-P energy: -25.329
bonds (distance) P-C4' energy: -28.651
flat angles C4'-P-C4' energy: -33.474
flat angles P-C4'-P energy: -23.216
tors. eta vs tors. theta energy: -47.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -455.309264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.309264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.309264 (E_RNA)
where:
Base-Base interactions energy: -311.965
where: short stacking energy: -149.272
Base-Backbone interact. energy: -0.705
local terms energy: -142.638938
where:
bonds (distance) C4'-P energy: -22.823
bonds (distance) P-C4' energy: -25.073
flat angles C4'-P-C4' energy: -26.332
flat angles P-C4'-P energy: -21.983
tors. eta vs tors. theta energy: -46.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -446.329347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.329347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.329347 (E_RNA)
where:
Base-Base interactions energy: -305.921
where: short stacking energy: -135.945
Base-Backbone interact. energy: -0.145
local terms energy: -140.262748
where:
bonds (distance) C4'-P energy: -24.850
bonds (distance) P-C4' energy: -27.725
flat angles C4'-P-C4' energy: -30.232
flat angles P-C4'-P energy: -19.050
tors. eta vs tors. theta energy: -38.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -443.181803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.181803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.181803 (E_RNA)
where:
Base-Base interactions energy: -310.692
where: short stacking energy: -135.830
Base-Backbone interact. energy: -0.189
local terms energy: -132.300947
where:
bonds (distance) C4'-P energy: -20.139
bonds (distance) P-C4' energy: -27.408
flat angles C4'-P-C4' energy: -25.599
flat angles P-C4'-P energy: -17.597
tors. eta vs tors. theta energy: -41.558
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: 4
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -342.326650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.326650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.326650 (E_RNA)
where:
Base-Base interactions energy: -225.127
where: short stacking energy: -88.428
Base-Backbone interact. energy: -0.989
local terms energy: -116.211016
where:
bonds (distance) C4'-P energy: -27.323
bonds (distance) P-C4' energy: -23.021
flat angles C4'-P-C4' energy: -28.733
flat angles P-C4'-P energy: -16.911
tors. eta vs tors. theta energy: -20.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -312.839791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.839791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.839791 (E_RNA)
where:
Base-Base interactions energy: -206.425
where: short stacking energy: -95.720
Base-Backbone interact. energy: -0.142
local terms energy: -106.272104
where:
bonds (distance) C4'-P energy: -23.374
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -22.531
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -25.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -216.006949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.006949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.006949 (E_RNA)
where:
Base-Base interactions energy: -119.115
where: short stacking energy: -59.510
Base-Backbone interact. energy: -0.946
local terms energy: -95.946406
where:
bonds (distance) C4'-P energy: -23.104
bonds (distance) P-C4' energy: -22.838
flat angles C4'-P-C4' energy: -26.029
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -5.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -134.775812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.775812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.775812 (E_RNA)
where:
Base-Base interactions energy: -51.047
where: short stacking energy: -47.730
Base-Backbone interact. energy: -0.275
local terms energy: -83.454292
where:
bonds (distance) C4'-P energy: -25.916
bonds (distance) P-C4' energy: -25.959
flat angles C4'-P-C4' energy: -19.860
flat angles P-C4'-P energy: -14.797
tors. eta vs tors. theta energy: 3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -531.624123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.624123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.624123 (E_RNA)
where:
Base-Base interactions energy: -376.772
where: short stacking energy: -154.590
Base-Backbone interact. energy: -0.611
local terms energy: -154.240890
where:
bonds (distance) C4'-P energy: -26.721
bonds (distance) P-C4' energy: -29.329
flat angles C4'-P-C4' energy: -34.330
flat angles P-C4'-P energy: -19.849
tors. eta vs tors. theta energy: -44.012
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: 7
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -533.848591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.848591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.848591 (E_RNA)
where:
Base-Base interactions energy: -374.829
where: short stacking energy: -154.761
Base-Backbone interact. energy: -0.047
local terms energy: -158.972343
where:
bonds (distance) C4'-P energy: -26.578
bonds (distance) P-C4' energy: -29.637
flat angles C4'-P-C4' energy: -33.154
flat angles P-C4'-P energy: -23.283
tors. eta vs tors. theta energy: -46.320
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: 6
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -525.256869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.256869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.256869 (E_RNA)
where:
Base-Base interactions energy: -372.029
where: short stacking energy: -156.923
Base-Backbone interact. energy: -0.035
local terms energy: -153.192902
where:
bonds (distance) C4'-P energy: -27.410
bonds (distance) P-C4' energy: -28.657
flat angles C4'-P-C4' energy: -32.331
flat angles P-C4'-P energy: -18.391
tors. eta vs tors. theta energy: -46.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -462.415658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.415658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.415658 (E_RNA)
where:
Base-Base interactions energy: -312.971
where: short stacking energy: -133.602
Base-Backbone interact. energy: -0.024
local terms energy: -149.420569
where:
bonds (distance) C4'-P energy: -27.957
bonds (distance) P-C4' energy: -27.254
flat angles C4'-P-C4' energy: -32.837
flat angles P-C4'-P energy: -22.764
tors. eta vs tors. theta energy: -38.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -456.159152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.159152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.159152 (E_RNA)
where:
Base-Base interactions energy: -316.347
where: short stacking energy: -138.067
Base-Backbone interact. energy: -0.075
local terms energy: -139.736889
where:
bonds (distance) C4'-P energy: -28.362
bonds (distance) P-C4' energy: -24.528
flat angles C4'-P-C4' energy: -28.836
flat angles P-C4'-P energy: -17.272
tors. eta vs tors. theta energy: -40.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -442.634372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.634372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.634372 (E_RNA)
where:
Base-Base interactions energy: -308.818
where: short stacking energy: -125.659
Base-Backbone interact. energy: -0.186
local terms energy: -133.631256
where:
bonds (distance) C4'-P energy: -27.569
bonds (distance) P-C4' energy: -22.412
flat angles C4'-P-C4' energy: -27.931
flat angles P-C4'-P energy: -20.874
tors. eta vs tors. theta energy: -34.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -342.999125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.999125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.999125 (E_RNA)
where:
Base-Base interactions energy: -225.649
where: short stacking energy: -98.483
Base-Backbone interact. energy: -0.126
local terms energy: -117.224287
where:
bonds (distance) C4'-P energy: -25.038
bonds (distance) P-C4' energy: -20.749
flat angles C4'-P-C4' energy: -27.331
flat angles P-C4'-P energy: -19.034
tors. eta vs tors. theta energy: -25.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -342.789678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.789678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.789678 (E_RNA)
where:
Base-Base interactions energy: -245.307
where: short stacking energy: -95.109
Base-Backbone interact. energy: -0.200
local terms energy: -97.282866
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -24.750
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -23.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -218.316559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.316559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.316559 (E_RNA)
where:
Base-Base interactions energy: -113.992
where: short stacking energy: -52.010
Base-Backbone interact. energy: -0.289
local terms energy: -104.035793
where:
bonds (distance) C4'-P energy: -22.011
bonds (distance) P-C4' energy: -28.795
flat angles C4'-P-C4' energy: -20.681
flat angles P-C4'-P energy: -20.844
tors. eta vs tors. theta energy: -11.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -127.571313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.571313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.571313 (E_RNA)
where:
Base-Base interactions energy: -45.783
where: short stacking energy: -45.783
Base-Backbone interact. energy: -0.438
local terms energy: -81.349526
where:
bonds (distance) C4'-P energy: -24.968
bonds (distance) P-C4' energy: -21.297
flat angles C4'-P-C4' energy: -21.960
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: 0.369
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: 7
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -541.095728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.095728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.095728 (E_RNA)
where:
Base-Base interactions energy: -379.187
where: short stacking energy: -164.386
Base-Backbone interact. energy: -0.247
local terms energy: -161.662322
where:
bonds (distance) C4'-P energy: -27.618
bonds (distance) P-C4' energy: -28.464
flat angles C4'-P-C4' energy: -33.171
flat angles P-C4'-P energy: -23.374
tors. eta vs tors. theta energy: -49.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -516.053936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.053936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.053936 (E_RNA)
where:
Base-Base interactions energy: -363.688
where: short stacking energy: -152.406
Base-Backbone interact. energy: -0.206
local terms energy: -152.159967
where:
bonds (distance) C4'-P energy: -30.917
bonds (distance) P-C4' energy: -27.671
flat angles C4'-P-C4' energy: -33.054
flat angles P-C4'-P energy: -20.811
tors. eta vs tors. theta energy: -39.707
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: 6
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -518.283548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.283548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.283548 (E_RNA)
where:
Base-Base interactions energy: -361.650
where: short stacking energy: -154.618
Base-Backbone interact. energy: -0.022
local terms energy: -156.611359
where:
bonds (distance) C4'-P energy: -28.027
bonds (distance) P-C4' energy: -30.235
flat angles C4'-P-C4' energy: -29.752
flat angles P-C4'-P energy: -20.673
tors. eta vs tors. theta energy: -47.923
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: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -470.208655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.208655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.208655 (E_RNA)
where:
Base-Base interactions energy: -312.654
where: short stacking energy: -139.201
Base-Backbone interact. energy: -0.354
local terms energy: -157.200972
where:
bonds (distance) C4'-P energy: -25.598
bonds (distance) P-C4' energy: -32.206
flat angles C4'-P-C4' energy: -35.429
flat angles P-C4'-P energy: -22.537
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: 5, replica: 9
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -448.534095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.534095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.534095 (E_RNA)
where:
Base-Base interactions energy: -314.869
where: short stacking energy: -135.113
Base-Backbone interact. energy: -0.739
local terms energy: -132.926040
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -27.756
flat angles C4'-P-C4' energy: -28.414
flat angles P-C4'-P energy: -24.809
tors. eta vs tors. theta energy: -32.829
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: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -442.693796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.693796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.693796 (E_RNA)
where:
Base-Base interactions energy: -308.012
where: short stacking energy: -135.537
Base-Backbone interact. energy: -0.379
local terms energy: -134.303159
where:
bonds (distance) C4'-P energy: -23.723
bonds (distance) P-C4' energy: -22.618
flat angles C4'-P-C4' energy: -28.846
flat angles P-C4'-P energy: -19.309
tors. eta vs tors. theta energy: -39.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -369.780865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.780865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.780865 (E_RNA)
where:
Base-Base interactions energy: -263.354
where: short stacking energy: -107.237
Base-Backbone interact. energy: 0.383
local terms energy: -106.809356
where:
bonds (distance) C4'-P energy: -19.898
bonds (distance) P-C4' energy: -28.843
flat angles C4'-P-C4' energy: -24.704
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -21.170
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: 202
Temperature: 1.250000
Total energy: -327.511773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.511773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.511773 (E_RNA)
where:
Base-Base interactions energy: -219.810
where: short stacking energy: -99.958
Base-Backbone interact. energy: -1.042
local terms energy: -106.660134
where:
bonds (distance) C4'-P energy: -18.625
bonds (distance) P-C4' energy: -23.369
flat angles C4'-P-C4' energy: -21.232
flat angles P-C4'-P energy: -22.707
tors. eta vs tors. theta energy: -20.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -217.877618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.877618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.877618 (E_RNA)
where:
Base-Base interactions energy: -112.585
where: short stacking energy: -65.501
Base-Backbone interact. energy: -1.132
local terms energy: -104.160686
where:
bonds (distance) C4'-P energy: -27.883
bonds (distance) P-C4' energy: -27.701
flat angles C4'-P-C4' energy: -22.333
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -12.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -148.928837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.928837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.928837 (E_RNA)
where:
Base-Base interactions energy: -60.740
where: short stacking energy: -60.740
Base-Backbone interact. energy: -0.283
local terms energy: -87.905670
where:
bonds (distance) C4'-P energy: -18.362
bonds (distance) P-C4' energy: -26.574
flat angles C4'-P-C4' energy: -27.713
flat angles P-C4'-P energy: -11.465
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: 7
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -532.479909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.479909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.479909 (E_RNA)
where:
Base-Base interactions energy: -375.620
where: short stacking energy: -158.326
Base-Backbone interact. energy: 0.567
local terms energy: -157.426454
where:
bonds (distance) C4'-P energy: -28.933
bonds (distance) P-C4' energy: -32.306
flat angles C4'-P-C4' energy: -27.848
flat angles P-C4'-P energy: -20.923
tors. eta vs tors. theta energy: -47.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -521.177253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.177253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.177253 (E_RNA)
where:
Base-Base interactions energy: -367.579
where: short stacking energy: -142.728
Base-Backbone interact. energy: -0.535
local terms energy: -153.063709
where:
bonds (distance) C4'-P energy: -25.506
bonds (distance) P-C4' energy: -32.674
flat angles C4'-P-C4' energy: -31.945
flat angles P-C4'-P energy: -17.947
tors. eta vs tors. theta energy: -44.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -520.114312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.114312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.114312 (E_RNA)
where:
Base-Base interactions energy: -378.183
where: short stacking energy: -147.929
Base-Backbone interact. energy: -0.013
local terms energy: -141.918980
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -27.839
flat angles C4'-P-C4' energy: -30.387
flat angles P-C4'-P energy: -21.302
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: 4, replica: 9
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -469.590660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.590660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.590660 (E_RNA)
where:
Base-Base interactions energy: -313.873
where: short stacking energy: -136.572
Base-Backbone interact. energy: -0.278
local terms energy: -155.440268
where:
bonds (distance) C4'-P energy: -26.789
bonds (distance) P-C4' energy: -32.027
flat angles C4'-P-C4' energy: -28.556
flat angles P-C4'-P energy: -22.431
tors. eta vs tors. theta energy: -45.637
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: 3
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -458.027303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.027303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.027303 (E_RNA)
where:
Base-Base interactions energy: -313.812
where: short stacking energy: -139.287
Base-Backbone interact. energy: -0.019
local terms energy: -144.196888
where:
bonds (distance) C4'-P energy: -22.508
bonds (distance) P-C4' energy: -30.774
flat angles C4'-P-C4' energy: -28.688
flat angles P-C4'-P energy: -20.579
tors. eta vs tors. theta energy: -41.649
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: 2
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -457.245317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.245317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.245317 (E_RNA)
where:
Base-Base interactions energy: -313.289
where: short stacking energy: -132.652
Base-Backbone interact. energy: -0.819
local terms energy: -143.137667
where:
bonds (distance) C4'-P energy: -21.315
bonds (distance) P-C4' energy: -33.039
flat angles C4'-P-C4' energy: -33.171
flat angles P-C4'-P energy: -15.600
tors. eta vs tors. theta energy: -40.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -397.282098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.282098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.282098 (E_RNA)
where:
Base-Base interactions energy: -263.958
where: short stacking energy: -112.754
Base-Backbone interact. energy: -0.513
local terms energy: -132.811546
where:
bonds (distance) C4'-P energy: -25.962
bonds (distance) P-C4' energy: -31.743
flat angles C4'-P-C4' energy: -29.790
flat angles P-C4'-P energy: -18.444
tors. eta vs tors. theta energy: -26.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -351.637943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.637943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.637943 (E_RNA)
where:
Base-Base interactions energy: -237.084
where: short stacking energy: -101.607
Base-Backbone interact. energy: -0.388
local terms energy: -114.165495
where:
bonds (distance) C4'-P energy: -27.984
bonds (distance) P-C4' energy: -26.087
flat angles C4'-P-C4' energy: -24.672
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -22.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -205.195829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.195829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.195829 (E_RNA)
where:
Base-Base interactions energy: -122.058
where: short stacking energy: -67.923
Base-Backbone interact. energy: -1.481
local terms energy: -81.657172
where:
bonds (distance) C4'-P energy: -17.049
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -19.771
flat angles P-C4'-P energy: -15.677
tors. eta vs tors. theta energy: -13.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -130.268002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.268002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.268002 (E_RNA)
where:
Base-Base interactions energy: -31.805
where: short stacking energy: -29.765
Base-Backbone interact. energy: -0.585
local terms energy: -97.877683
where:
bonds (distance) C4'-P energy: -31.459
bonds (distance) P-C4' energy: -28.519
flat angles C4'-P-C4' energy: -28.803
flat angles P-C4'-P energy: -11.651
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: 7
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -535.022708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.022708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.022708 (E_RNA)
where:
Base-Base interactions energy: -370.753
where: short stacking energy: -158.391
Base-Backbone interact. energy: -0.151
local terms energy: -164.118783
where:
bonds (distance) C4'-P energy: -28.557
bonds (distance) P-C4' energy: -28.720
flat angles C4'-P-C4' energy: -36.163
flat angles P-C4'-P energy: -24.833
tors. eta vs tors. theta energy: -45.845
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: 8
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -515.861078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.861078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.861078 (E_RNA)
where:
Base-Base interactions energy: -377.381
where: short stacking energy: -149.012
Base-Backbone interact. energy: -0.110
local terms energy: -138.369862
where:
bonds (distance) C4'-P energy: -21.780
bonds (distance) P-C4' energy: -25.069
flat angles C4'-P-C4' energy: -27.326
flat angles P-C4'-P energy: -24.063
tors. eta vs tors. theta energy: -40.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -468.999944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.999944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.999944 (E_RNA)
where:
Base-Base interactions energy: -329.827
where: short stacking energy: -135.065
Base-Backbone interact. energy: -1.087
local terms energy: -138.085788
where:
bonds (distance) C4'-P energy: -28.344
bonds (distance) P-C4' energy: -23.397
flat angles C4'-P-C4' energy: -30.342
flat angles P-C4'-P energy: -21.260
tors. eta vs tors. theta energy: -34.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -511.845433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.845433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.845433 (E_RNA)
where:
Base-Base interactions energy: -367.144
where: short stacking energy: -146.293
Base-Backbone interact. energy: -0.424
local terms energy: -144.277313
where:
bonds (distance) C4'-P energy: -24.948
bonds (distance) P-C4' energy: -22.490
flat angles C4'-P-C4' energy: -34.986
flat angles P-C4'-P energy: -16.089
tors. eta vs tors. theta energy: -45.764
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: 5, replica: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -446.728529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.728529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.728529 (E_RNA)
where:
Base-Base interactions energy: -314.254
where: short stacking energy: -129.961
Base-Backbone interact. energy: -1.059
local terms energy: -131.416084
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -29.024
flat angles C4'-P-C4' energy: -27.229
flat angles P-C4'-P energy: -18.593
tors. eta vs tors. theta energy: -37.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -436.445354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.445354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.445354 (E_RNA)
where:
Base-Base interactions energy: -315.148
where: short stacking energy: -128.560
Base-Backbone interact. energy: -0.718
local terms energy: -120.578988
where:
bonds (distance) C4'-P energy: -30.486
bonds (distance) P-C4' energy: -22.070
flat angles C4'-P-C4' energy: -23.380
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -36.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -417.449592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.449592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.449592 (E_RNA)
where:
Base-Base interactions energy: -295.230
where: short stacking energy: -129.757
Base-Backbone interact. energy: -0.183
local terms energy: -122.037032
where:
bonds (distance) C4'-P energy: -21.917
bonds (distance) P-C4' energy: -22.138
flat angles C4'-P-C4' energy: -30.950
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -35.281
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: 204
Temperature: 1.250000
Total energy: -341.822878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.822878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.822878 (E_RNA)
where:
Base-Base interactions energy: -238.959
where: short stacking energy: -95.841
Base-Backbone interact. energy: 0.387
local terms energy: -103.250233
where:
bonds (distance) C4'-P energy: -19.261
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -21.106
flat angles P-C4'-P energy: -17.892
tors. eta vs tors. theta energy: -26.167
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: 9, replica: 10
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -141.365216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.365216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.365216 (E_RNA)
where:
Base-Base interactions energy: -49.840
where: short stacking energy: -46.807
Base-Backbone interact. energy: -0.296
local terms energy: -91.228977
where:
bonds (distance) C4'-P energy: -23.637
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -22.405
flat angles P-C4'-P energy: -17.431
tors. eta vs tors. theta energy: -7.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -193.507561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.507561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.507561 (E_RNA)
where:
Base-Base interactions energy: -106.814
where: short stacking energy: -59.517
Base-Backbone interact. energy: -1.309
local terms energy: -85.384915
where:
bonds (distance) C4'-P energy: -11.066
bonds (distance) P-C4' energy: -24.979
flat angles C4'-P-C4' energy: -23.459
flat angles P-C4'-P energy: -17.158
tors. eta vs tors. theta energy: -8.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -539.142547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.142547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.142547 (E_RNA)
where:
Base-Base interactions energy: -374.897
where: short stacking energy: -160.651
Base-Backbone interact. energy: -0.032
local terms energy: -164.212851
where:
bonds (distance) C4'-P energy: -27.637
bonds (distance) P-C4' energy: -27.997
flat angles C4'-P-C4' energy: -36.594
flat angles P-C4'-P energy: -23.813
tors. eta vs tors. theta energy: -48.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -517.844719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.844719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.844719 (E_RNA)
where:
Base-Base interactions energy: -368.297
where: short stacking energy: -150.276
Base-Backbone interact. energy: -0.086
local terms energy: -149.461623
where:
bonds (distance) C4'-P energy: -23.889
bonds (distance) P-C4' energy: -24.034
flat angles C4'-P-C4' energy: -32.258
flat angles P-C4'-P energy: -28.119
tors. eta vs tors. theta energy: -41.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -468.549769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.549769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.549769 (E_RNA)
where:
Base-Base interactions energy: -321.626
where: short stacking energy: -141.263
Base-Backbone interact. energy: -0.087
local terms energy: -146.836083
where:
bonds (distance) C4'-P energy: -24.682
bonds (distance) P-C4' energy: -21.954
flat angles C4'-P-C4' energy: -33.767
flat angles P-C4'-P energy: -24.506
tors. eta vs tors. theta energy: -41.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -501.773544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.773544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.773544 (E_RNA)
where:
Base-Base interactions energy: -358.504
where: short stacking energy: -139.649
Base-Backbone interact. energy: -0.533
local terms energy: -142.736874
where:
bonds (distance) C4'-P energy: -26.956
bonds (distance) P-C4' energy: -25.699
flat angles C4'-P-C4' energy: -30.712
flat angles P-C4'-P energy: -20.201
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: 2
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -455.358264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.358264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.358264 (E_RNA)
where:
Base-Base interactions energy: -303.444
where: short stacking energy: -134.933
Base-Backbone interact. energy: -0.300
local terms energy: -151.614838
where:
bonds (distance) C4'-P energy: -24.752
bonds (distance) P-C4' energy: -30.304
flat angles C4'-P-C4' energy: -31.853
flat angles P-C4'-P energy: -21.376
tors. eta vs tors. theta energy: -43.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -441.063918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.063918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.063918 (E_RNA)
where:
Base-Base interactions energy: -306.499
where: short stacking energy: -133.504
Base-Backbone interact. energy: -0.683
local terms energy: -133.881618
where:
bonds (distance) C4'-P energy: -21.137
bonds (distance) P-C4' energy: -21.492
flat angles C4'-P-C4' energy: -32.830
flat angles P-C4'-P energy: -15.665
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: 205
Temperature: 1.200000
Total energy: -427.383433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.383433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.383433 (E_RNA)
where:
Base-Base interactions energy: -306.573
where: short stacking energy: -127.083
Base-Backbone interact. energy: -0.062
local terms energy: -120.748075
where:
bonds (distance) C4'-P energy: -22.831
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -28.350
flat angles P-C4'-P energy: -16.973
tors. eta vs tors. theta energy: -35.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -341.989876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.989876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.989876 (E_RNA)
where:
Base-Base interactions energy: -241.176
where: short stacking energy: -95.904
Base-Backbone interact. energy: -1.629
local terms energy: -99.184758
where:
bonds (distance) C4'-P energy: -27.227
bonds (distance) P-C4' energy: -22.682
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -23.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -149.162357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.162357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.162357 (E_RNA)
where:
Base-Base interactions energy: -70.932
where: short stacking energy: -44.068
Base-Backbone interact. energy: -0.472
local terms energy: -77.758443
where:
bonds (distance) C4'-P energy: -20.942
bonds (distance) P-C4' energy: -21.666
flat angles C4'-P-C4' energy: -23.526
flat angles P-C4'-P energy: -15.682
tors. eta vs tors. theta energy: 4.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -145.346992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.346992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.346992 (E_RNA)
where:
Base-Base interactions energy: -62.667
where: short stacking energy: -38.747
Base-Backbone interact. energy: 0.843
local terms energy: -83.523602
where:
bonds (distance) C4'-P energy: -27.557
bonds (distance) P-C4' energy: -23.651
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -17.728
tors. eta vs tors. theta energy: 0.654
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: 7
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -536.990759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.990759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.990759 (E_RNA)
where:
Base-Base interactions energy: -378.380
where: short stacking energy: -159.141
Base-Backbone interact. energy: -0.009
local terms energy: -158.602142
where:
bonds (distance) C4'-P energy: -31.699
bonds (distance) P-C4' energy: -22.447
flat angles C4'-P-C4' energy: -32.776
flat angles P-C4'-P energy: -24.281
tors. eta vs tors. theta energy: -47.398
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: 8
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -523.977202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.977202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.977202 (E_RNA)
where:
Base-Base interactions energy: -373.880
where: short stacking energy: -152.917
Base-Backbone interact. energy: 0.293
local terms energy: -150.389863
where:
bonds (distance) C4'-P energy: -22.737
bonds (distance) P-C4' energy: -31.831
flat angles C4'-P-C4' energy: -33.861
flat angles P-C4'-P energy: -14.592
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: 3, replica: 6
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -522.219396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.219396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.219396 (E_RNA)
where:
Base-Base interactions energy: -379.154
where: short stacking energy: -157.217
Base-Backbone interact. energy: -0.064
local terms energy: -143.002142
where:
bonds (distance) C4'-P energy: -25.703
bonds (distance) P-C4' energy: -26.960
flat angles C4'-P-C4' energy: -27.649
flat angles P-C4'-P energy: -17.215
tors. eta vs tors. theta energy: -45.475
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: 206
Temperature: 1.050000
Total energy: -460.527121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.527121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.527121 (E_RNA)
where:
Base-Base interactions energy: -327.686
where: short stacking energy: -129.751
Base-Backbone interact. energy: -1.180
local terms energy: -131.661059
where:
bonds (distance) C4'-P energy: -25.072
bonds (distance) P-C4' energy: -22.743
flat angles C4'-P-C4' energy: -24.847
flat angles P-C4'-P energy: -18.206
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: 5, replica: 3
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -444.981155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.981155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.981155 (E_RNA)
where:
Base-Base interactions energy: -309.843
where: short stacking energy: -138.131
Base-Backbone interact. energy: -0.317
local terms energy: -134.821464
where:
bonds (distance) C4'-P energy: -24.235
bonds (distance) P-C4' energy: -23.824
flat angles C4'-P-C4' energy: -25.455
flat angles P-C4'-P energy: -19.397
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: 6, replica: 2
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -436.226368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.226368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.226368 (E_RNA)
where:
Base-Base interactions energy: -287.414
where: short stacking energy: -127.767
Base-Backbone interact. energy: 0.329
local terms energy: -149.141583
where:
bonds (distance) C4'-P energy: -25.064
bonds (distance) P-C4' energy: -26.651
flat angles C4'-P-C4' energy: -32.872
flat angles P-C4'-P energy: -19.180
tors. eta vs tors. theta energy: -45.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -412.146780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.146780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.146780 (E_RNA)
where:
Base-Base interactions energy: -286.703
where: short stacking energy: -119.032
Base-Backbone interact. energy: -0.750
local terms energy: -124.693440
where:
bonds (distance) C4'-P energy: -24.620
bonds (distance) P-C4' energy: -26.853
flat angles C4'-P-C4' energy: -27.985
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -31.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -388.645935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.645935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.645935 (E_RNA)
where:
Base-Base interactions energy: -257.053
where: short stacking energy: -105.625
Base-Backbone interact. energy: -0.072
local terms energy: -131.521004
where:
bonds (distance) C4'-P energy: -28.583
bonds (distance) P-C4' energy: -28.247
flat angles C4'-P-C4' energy: -27.519
flat angles P-C4'-P energy: -16.433
tors. eta vs tors. theta energy: -30.739
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: 5
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -144.986558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.986558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.986558 (E_RNA)
where:
Base-Base interactions energy: -61.766
where: short stacking energy: -52.479
Base-Backbone interact. energy: 5.797
local terms energy: -89.017724
where:
bonds (distance) C4'-P energy: -24.260
bonds (distance) P-C4' energy: -21.385
flat angles C4'-P-C4' energy: -22.830
flat angles P-C4'-P energy: -14.947
tors. eta vs tors. theta energy: -5.596
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: 10
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -127.256571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.256571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.256571 (E_RNA)
where:
Base-Base interactions energy: -41.456
where: short stacking energy: -37.360
Base-Backbone interact. energy: -1.736
local terms energy: -84.064587
where:
bonds (distance) C4'-P energy: -22.280
bonds (distance) P-C4' energy: -26.806
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -18.951
tors. eta vs tors. theta energy: 3.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -531.812403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.812403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.812403 (E_RNA)
where:
Base-Base interactions energy: -381.252
where: short stacking energy: -156.462
Base-Backbone interact. energy: -0.028
local terms energy: -150.532684
where:
bonds (distance) C4'-P energy: -23.994
bonds (distance) P-C4' energy: -28.695
flat angles C4'-P-C4' energy: -33.521
flat angles P-C4'-P energy: -19.977
tors. eta vs tors. theta energy: -44.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -537.105620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.105620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.105620 (E_RNA)
where:
Base-Base interactions energy: -378.995
where: short stacking energy: -147.852
Base-Backbone interact. energy: -0.691
local terms energy: -157.419580
where:
bonds (distance) C4'-P energy: -25.608
bonds (distance) P-C4' energy: -31.390
flat angles C4'-P-C4' energy: -30.052
flat angles P-C4'-P energy: -22.224
tors. eta vs tors. theta energy: -48.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -517.273398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.273398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.273398 (E_RNA)
where:
Base-Base interactions energy: -363.741
where: short stacking energy: -147.372
Base-Backbone interact. energy: -0.064
local terms energy: -153.468613
where:
bonds (distance) C4'-P energy: -29.509
bonds (distance) P-C4' energy: -26.971
flat angles C4'-P-C4' energy: -27.102
flat angles P-C4'-P energy: -25.160
tors. eta vs tors. theta energy: -44.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -453.875926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.875926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.875926 (E_RNA)
where:
Base-Base interactions energy: -306.282
where: short stacking energy: -131.098
Base-Backbone interact. energy: -0.379
local terms energy: -147.214976
where:
bonds (distance) C4'-P energy: -27.639
bonds (distance) P-C4' energy: -29.678
flat angles C4'-P-C4' energy: -31.006
flat angles P-C4'-P energy: -21.852
tors. eta vs tors. theta energy: -37.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -452.138302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.138302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.138302 (E_RNA)
where:
Base-Base interactions energy: -306.510
where: short stacking energy: -139.486
Base-Backbone interact. energy: -0.711
local terms energy: -144.916458
where:
bonds (distance) C4'-P energy: -29.802
bonds (distance) P-C4' energy: -27.022
flat angles C4'-P-C4' energy: -27.155
flat angles P-C4'-P energy: -20.443
tors. eta vs tors. theta energy: -40.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -428.920822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.920822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.920822 (E_RNA)
where:
Base-Base interactions energy: -292.348
where: short stacking energy: -127.518
Base-Backbone interact. energy: -0.009
local terms energy: -136.563352
where:
bonds (distance) C4'-P energy: -26.559
bonds (distance) P-C4' energy: -23.993
flat angles C4'-P-C4' energy: -31.121
flat angles P-C4'-P energy: -17.212
tors. eta vs tors. theta energy: -37.678
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: 1
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -408.064287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.064287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.064287 (E_RNA)
where:
Base-Base interactions energy: -284.608
where: short stacking energy: -117.546
Base-Backbone interact. energy: -0.348
local terms energy: -123.108203
where:
bonds (distance) C4'-P energy: -21.927
bonds (distance) P-C4' energy: -26.511
flat angles C4'-P-C4' energy: -24.224
flat angles P-C4'-P energy: -17.832
tors. eta vs tors. theta energy: -32.614
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: 8, replica: 4
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -372.921447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.921447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.921447 (E_RNA)
where:
Base-Base interactions energy: -262.298
where: short stacking energy: -106.954
Base-Backbone interact. energy: -1.175
local terms energy: -109.449231
where:
bonds (distance) C4'-P energy: -18.972
bonds (distance) P-C4' energy: -27.130
flat angles C4'-P-C4' energy: -27.319
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -25.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -197.268589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.268589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.268589 (E_RNA)
where:
Base-Base interactions energy: -112.056
where: short stacking energy: -58.963
Base-Backbone interact. energy: -0.098
local terms energy: -85.114518
where:
bonds (distance) C4'-P energy: -26.398
bonds (distance) P-C4' energy: -24.930
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -14.445
tors. eta vs tors. theta energy: -2.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -125.199478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.199478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.199478 (E_RNA)
where:
Base-Base interactions energy: -40.307
where: short stacking energy: -39.027
Base-Backbone interact. energy: 1.631
local terms energy: -86.523189
where:
bonds (distance) C4'-P energy: -31.004
bonds (distance) P-C4' energy: -25.370
flat angles C4'-P-C4' energy: -19.035
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: 2.461
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: 6
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -539.174755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.174755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.174755 (E_RNA)
where:
Base-Base interactions energy: -383.185
where: short stacking energy: -159.499
Base-Backbone interact. energy: -0.233
local terms energy: -155.755985
where:
bonds (distance) C4'-P energy: -19.727
bonds (distance) P-C4' energy: -26.319
flat angles C4'-P-C4' energy: -35.229
flat angles P-C4'-P energy: -26.678
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: 7
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -518.131350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.131350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.131350 (E_RNA)
where:
Base-Base interactions energy: -373.504
where: short stacking energy: -154.772
Base-Backbone interact. energy: -0.160
local terms energy: -144.467716
where:
bonds (distance) C4'-P energy: -24.779
bonds (distance) P-C4' energy: -30.942
flat angles C4'-P-C4' energy: -30.596
flat angles P-C4'-P energy: -16.046
tors. eta vs tors. theta energy: -42.106
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: 8
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -525.217257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.217257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.217257 (E_RNA)
where:
Base-Base interactions energy: -368.544
where: short stacking energy: -158.001
Base-Backbone interact. energy: -0.039
local terms energy: -156.634837
where:
bonds (distance) C4'-P energy: -26.051
bonds (distance) P-C4' energy: -29.265
flat angles C4'-P-C4' energy: -33.565
flat angles P-C4'-P energy: -19.625
tors. eta vs tors. theta energy: -48.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -449.254129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.254129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.254129 (E_RNA)
where:
Base-Base interactions energy: -301.600
where: short stacking energy: -135.127
Base-Backbone interact. energy: -0.391
local terms energy: -147.263206
where:
bonds (distance) C4'-P energy: -30.595
bonds (distance) P-C4' energy: -31.508
flat angles C4'-P-C4' energy: -27.864
flat angles P-C4'-P energy: -20.634
tors. eta vs tors. theta energy: -36.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -444.141423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.141423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.141423 (E_RNA)
where:
Base-Base interactions energy: -296.939
where: short stacking energy: -128.087
Base-Backbone interact. energy: -1.036
local terms energy: -146.167316
where:
bonds (distance) C4'-P energy: -24.481
bonds (distance) P-C4' energy: -25.752
flat angles C4'-P-C4' energy: -31.573
flat angles P-C4'-P energy: -22.900
tors. eta vs tors. theta energy: -41.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -399.016597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.016597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.016597 (E_RNA)
where:
Base-Base interactions energy: -271.923
where: short stacking energy: -123.056
Base-Backbone interact. energy: -1.026
local terms energy: -126.067610
where:
bonds (distance) C4'-P energy: -24.430
bonds (distance) P-C4' energy: -21.267
flat angles C4'-P-C4' energy: -28.932
flat angles P-C4'-P energy: -14.578
tors. eta vs tors. theta energy: -36.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -391.564000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.564000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.564000 (E_RNA)
where:
Base-Base interactions energy: -266.003
where: short stacking energy: -122.403
Base-Backbone interact. energy: -0.905
local terms energy: -124.655888
where:
bonds (distance) C4'-P energy: -19.855
bonds (distance) P-C4' energy: -22.907
flat angles C4'-P-C4' energy: -29.279
flat angles P-C4'-P energy: -21.841
tors. eta vs tors. theta energy: -30.774
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: 8, replica: 4
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -368.801213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.801213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.801213 (E_RNA)
where:
Base-Base interactions energy: -250.161
where: short stacking energy: -102.629
Base-Backbone interact. energy: -0.360
local terms energy: -118.279930
where:
bonds (distance) C4'-P energy: -26.258
bonds (distance) P-C4' energy: -27.189
flat angles C4'-P-C4' energy: -21.754
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -28.883
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: 5
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -189.037360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.037360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.037360 (E_RNA)
where:
Base-Base interactions energy: -98.506
where: short stacking energy: -66.568
Base-Backbone interact. energy: 0.024
local terms energy: -90.555296
where:
bonds (distance) C4'-P energy: -26.491
bonds (distance) P-C4' energy: -22.960
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -13.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -128.572847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.572847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.572847 (E_RNA)
where:
Base-Base interactions energy: -47.316
where: short stacking energy: -46.657
Base-Backbone interact. energy: -0.294
local terms energy: -80.962744
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -29.091
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -17.861
tors. eta vs tors. theta energy: -2.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -540.159923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.159923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.159923 (E_RNA)
where:
Base-Base interactions energy: -366.886
where: short stacking energy: -160.301
Base-Backbone interact. energy: -1.138
local terms energy: -172.136103
where:
bonds (distance) C4'-P energy: -33.782
bonds (distance) P-C4' energy: -30.210
flat angles C4'-P-C4' energy: -35.124
flat angles P-C4'-P energy: -23.146
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: 2, replica: 8
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -538.742780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.742780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.742780 (E_RNA)
where:
Base-Base interactions energy: -380.240
where: short stacking energy: -161.271
Base-Backbone interact. energy: -0.005
local terms energy: -158.497651
where:
bonds (distance) C4'-P energy: -25.421
bonds (distance) P-C4' energy: -26.745
flat angles C4'-P-C4' energy: -33.666
flat angles P-C4'-P energy: -23.157
tors. eta vs tors. theta energy: -49.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -528.665084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.665084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.665084 (E_RNA)
where:
Base-Base interactions energy: -373.368
where: short stacking energy: -154.530
Base-Backbone interact. energy: -0.179
local terms energy: -155.118089
where:
bonds (distance) C4'-P energy: -29.708
bonds (distance) P-C4' energy: -29.890
flat angles C4'-P-C4' energy: -32.220
flat angles P-C4'-P energy: -20.236
tors. eta vs tors. theta energy: -43.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -449.632512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.632512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.632512 (E_RNA)
where:
Base-Base interactions energy: -309.560
where: short stacking energy: -138.002
Base-Backbone interact. energy: -0.834
local terms energy: -139.237908
where:
bonds (distance) C4'-P energy: -24.859
bonds (distance) P-C4' energy: -26.963
flat angles C4'-P-C4' energy: -24.767
flat angles P-C4'-P energy: -20.161
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: 5, replica: 9
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -450.713610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.713610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.713610 (E_RNA)
where:
Base-Base interactions energy: -317.833
where: short stacking energy: -139.889
Base-Backbone interact. energy: -0.028
local terms energy: -132.851967
where:
bonds (distance) C4'-P energy: -25.120
bonds (distance) P-C4' energy: -21.664
flat angles C4'-P-C4' energy: -29.933
flat angles P-C4'-P energy: -20.147
tors. eta vs tors. theta energy: -35.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -452.969618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.969618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.969618 (E_RNA)
where:
Base-Base interactions energy: -305.431
where: short stacking energy: -139.465
Base-Backbone interact. energy: -2.180
local terms energy: -145.358739
where:
bonds (distance) C4'-P energy: -28.037
bonds (distance) P-C4' energy: -24.174
flat angles C4'-P-C4' energy: -26.734
flat angles P-C4'-P energy: -22.460
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: 7, replica: 1
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -391.781529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.781529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.781529 (E_RNA)
where:
Base-Base interactions energy: -267.140
where: short stacking energy: -113.694
Base-Backbone interact. energy: 1.455
local terms energy: -126.096886
where:
bonds (distance) C4'-P energy: -26.723
bonds (distance) P-C4' energy: -24.282
flat angles C4'-P-C4' energy: -33.211
flat angles P-C4'-P energy: -16.816
tors. eta vs tors. theta energy: -25.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -387.975391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.975391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.975391 (E_RNA)
where:
Base-Base interactions energy: -273.075
where: short stacking energy: -106.464
Base-Backbone interact. energy: -1.002
local terms energy: -113.898797
where:
bonds (distance) C4'-P energy: -22.723
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -29.005
flat angles P-C4'-P energy: -16.573
tors. eta vs tors. theta energy: -24.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -144.620185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.620185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.620185 (E_RNA)
where:
Base-Base interactions energy: -56.179
where: short stacking energy: -42.329
Base-Backbone interact. energy: -0.121
local terms energy: -88.320228
where:
bonds (distance) C4'-P energy: -23.825
bonds (distance) P-C4' energy: -30.925
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -3.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -135.293647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.293647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.293647 (E_RNA)
where:
Base-Base interactions energy: -52.923
where: short stacking energy: -41.322
Base-Backbone interact. energy: -0.007
local terms energy: -82.363874
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -24.071
flat angles C4'-P-C4' energy: -24.048
flat angles P-C4'-P energy: -16.517
tors. eta vs tors. theta energy: -1.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -532.839179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.839179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.839179 (E_RNA)
where:
Base-Base interactions energy: -374.664
where: short stacking energy: -157.290
Base-Backbone interact. energy: -0.716
local terms energy: -157.459125
where:
bonds (distance) C4'-P energy: -27.186
bonds (distance) P-C4' energy: -24.854
flat angles C4'-P-C4' energy: -33.396
flat angles P-C4'-P energy: -25.197
tors. eta vs tors. theta energy: -46.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -532.135284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.135284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.135284 (E_RNA)
where:
Base-Base interactions energy: -371.446
where: short stacking energy: -158.349
Base-Backbone interact. energy: -0.019
local terms energy: -160.670273
where:
bonds (distance) C4'-P energy: -27.192
bonds (distance) P-C4' energy: -29.942
flat angles C4'-P-C4' energy: -27.549
flat angles P-C4'-P energy: -26.326
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: 3, replica: 7
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -521.541553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.541553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.541553 (E_RNA)
where:
Base-Base interactions energy: -369.743
where: short stacking energy: -147.644
Base-Backbone interact. energy: -0.114
local terms energy: -151.684281
where:
bonds (distance) C4'-P energy: -25.916
bonds (distance) P-C4' energy: -31.796
flat angles C4'-P-C4' energy: -32.828
flat angles P-C4'-P energy: -19.584
tors. eta vs tors. theta energy: -41.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -458.965048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.965048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.965048 (E_RNA)
where:
Base-Base interactions energy: -314.075
where: short stacking energy: -130.403
Base-Backbone interact. energy: 0.226
local terms energy: -145.116086
where:
bonds (distance) C4'-P energy: -28.922
bonds (distance) P-C4' energy: -22.788
flat angles C4'-P-C4' energy: -25.831
flat angles P-C4'-P energy: -25.671
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: 5, replica: 9
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -459.055284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.055284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.055284 (E_RNA)
where:
Base-Base interactions energy: -319.675
where: short stacking energy: -130.858
Base-Backbone interact. energy: -0.525
local terms energy: -138.854863
where:
bonds (distance) C4'-P energy: -27.025
bonds (distance) P-C4' energy: -25.346
flat angles C4'-P-C4' energy: -30.313
flat angles P-C4'-P energy: -22.332
tors. eta vs tors. theta energy: -33.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -450.436490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.436490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.436490 (E_RNA)
where:
Base-Base interactions energy: -306.847
where: short stacking energy: -134.647
Base-Backbone interact. energy: 0.445
local terms energy: -144.034310
where:
bonds (distance) C4'-P energy: -22.421
bonds (distance) P-C4' energy: -30.165
flat angles C4'-P-C4' energy: -28.283
flat angles P-C4'-P energy: -22.933
tors. eta vs tors. theta energy: -40.232
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: 7, replica: 1
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -381.673105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.673105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.673105 (E_RNA)
where:
Base-Base interactions energy: -258.286
where: short stacking energy: -107.369
Base-Backbone interact. energy: -0.476
local terms energy: -122.910974
where:
bonds (distance) C4'-P energy: -32.744
bonds (distance) P-C4' energy: -23.985
flat angles C4'-P-C4' energy: -22.008
flat angles P-C4'-P energy: -16.825
tors. eta vs tors. theta energy: -27.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -404.800435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.800435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.800435 (E_RNA)
where:
Base-Base interactions energy: -277.454
where: short stacking energy: -114.007
Base-Backbone interact. energy: -0.131
local terms energy: -127.215368
where:
bonds (distance) C4'-P energy: -24.546
bonds (distance) P-C4' energy: -25.502
flat angles C4'-P-C4' energy: -26.979
flat angles P-C4'-P energy: -17.365
tors. eta vs tors. theta energy: -32.823
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: 9, replica: 10
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -152.711064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.711064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.711064 (E_RNA)
where:
Base-Base interactions energy: -51.830
where: short stacking energy: -47.835
Base-Backbone interact. energy: -0.246
local terms energy: -100.634324
where:
bonds (distance) C4'-P energy: -23.562
bonds (distance) P-C4' energy: -27.297
flat angles C4'-P-C4' energy: -30.785
flat angles P-C4'-P energy: -14.037
tors. eta vs tors. theta energy: -4.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -151.826931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.826931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.826931 (E_RNA)
where:
Base-Base interactions energy: -69.437
where: short stacking energy: -55.273
Base-Backbone interact. energy: 0.072
local terms energy: -82.462171
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -26.493
flat angles C4'-P-C4' energy: -20.655
flat angles P-C4'-P energy: -16.408
tors. eta vs tors. theta energy: -2.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -539.269137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.269137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.269137 (E_RNA)
where:
Base-Base interactions energy: -376.670
where: short stacking energy: -159.953
Base-Backbone interact. energy: 3.177
local terms energy: -165.776704
where:
bonds (distance) C4'-P energy: -29.288
bonds (distance) P-C4' energy: -29.463
flat angles C4'-P-C4' energy: -33.376
flat angles P-C4'-P energy: -26.014
tors. eta vs tors. theta energy: -47.636
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: 2, replica: 6
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -530.410440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.410440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.410440 (E_RNA)
where:
Base-Base interactions energy: -382.799
where: short stacking energy: -157.133
Base-Backbone interact. energy: -0.021
local terms energy: -147.590625
where:
bonds (distance) C4'-P energy: -22.551
bonds (distance) P-C4' energy: -31.089
flat angles C4'-P-C4' energy: -30.967
flat angles P-C4'-P energy: -18.010
tors. eta vs tors. theta energy: -44.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -512.683667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.683667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.683667 (E_RNA)
where:
Base-Base interactions energy: -366.587
where: short stacking energy: -147.809
Base-Backbone interact. energy: 0.474
local terms energy: -146.570529
where:
bonds (distance) C4'-P energy: -26.471
bonds (distance) P-C4' energy: -31.083
flat angles C4'-P-C4' energy: -31.442
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: -40.452
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: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -460.960710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.960710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.960710 (E_RNA)
where:
Base-Base interactions energy: -314.842
where: short stacking energy: -141.579
Base-Backbone interact. energy: -0.726
local terms energy: -145.392868
where:
bonds (distance) C4'-P energy: -18.919
bonds (distance) P-C4' energy: -30.285
flat angles C4'-P-C4' energy: -30.945
flat angles P-C4'-P energy: -23.849
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: 211
Temperature: 1.100000
Total energy: -425.683361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.683361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.683361 (E_RNA)
where:
Base-Base interactions energy: -298.716
where: short stacking energy: -123.617
Base-Backbone interact. energy: 1.120
local terms energy: -128.086880
where:
bonds (distance) C4'-P energy: -25.687
bonds (distance) P-C4' energy: -28.532
flat angles C4'-P-C4' energy: -22.467
flat angles P-C4'-P energy: -18.954
tors. eta vs tors. theta energy: -32.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -437.146456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.146456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.146456 (E_RNA)
where:
Base-Base interactions energy: -299.705
where: short stacking energy: -135.172
Base-Backbone interact. energy: -0.170
local terms energy: -137.271287
where:
bonds (distance) C4'-P energy: -26.315
bonds (distance) P-C4' energy: -21.674
flat angles C4'-P-C4' energy: -29.414
flat angles P-C4'-P energy: -19.367
tors. eta vs tors. theta energy: -40.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -386.367414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.367414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.367414 (E_RNA)
where:
Base-Base interactions energy: -268.454
where: short stacking energy: -115.693
Base-Backbone interact. energy: -0.326
local terms energy: -117.588095
where:
bonds (distance) C4'-P energy: -17.739
bonds (distance) P-C4' energy: -30.408
flat angles C4'-P-C4' energy: -21.489
flat angles P-C4'-P energy: -18.918
tors. eta vs tors. theta energy: -29.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -387.920207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.920207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.920207 (E_RNA)
where:
Base-Base interactions energy: -276.020
where: short stacking energy: -119.797
Base-Backbone interact. energy: -0.419
local terms energy: -111.481339
where:
bonds (distance) C4'-P energy: -21.593
bonds (distance) P-C4' energy: -22.006
flat angles C4'-P-C4' energy: -25.387
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -30.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -148.723104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.723104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.723104 (E_RNA)
where:
Base-Base interactions energy: -62.860
where: short stacking energy: -51.252
Base-Backbone interact. energy: -1.342
local terms energy: -84.520470
where:
bonds (distance) C4'-P energy: -20.356
bonds (distance) P-C4' energy: -24.336
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -16.846
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: 5
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -161.051971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.051971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.051971 (E_RNA)
where:
Base-Base interactions energy: -90.563
where: short stacking energy: -32.597
Base-Backbone interact. energy: 0.988
local terms energy: -71.477568
where:
bonds (distance) C4'-P energy: -24.535
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -18.767
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: 3.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -536.021615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.021615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.021615 (E_RNA)
where:
Base-Base interactions energy: -376.941
where: short stacking energy: -157.322
Base-Backbone interact. energy: 0.376
local terms energy: -159.456687
where:
bonds (distance) C4'-P energy: -26.471
bonds (distance) P-C4' energy: -34.077
flat angles C4'-P-C4' energy: -30.348
flat angles P-C4'-P energy: -19.505
tors. eta vs tors. theta energy: -49.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -534.276851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.276851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.276851 (E_RNA)
where:
Base-Base interactions energy: -379.125
where: short stacking energy: -159.914
Base-Backbone interact. energy: -0.480
local terms energy: -154.671499
where:
bonds (distance) C4'-P energy: -25.519
bonds (distance) P-C4' energy: -27.558
flat angles C4'-P-C4' energy: -28.474
flat angles P-C4'-P energy: -23.716
tors. eta vs tors. theta energy: -49.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -522.958726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.958726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.958726 (E_RNA)
where:
Base-Base interactions energy: -362.864
where: short stacking energy: -147.760
Base-Backbone interact. energy: -0.910
local terms energy: -159.184473
where:
bonds (distance) C4'-P energy: -27.129
bonds (distance) P-C4' energy: -29.681
flat angles C4'-P-C4' energy: -33.518
flat angles P-C4'-P energy: -22.670
tors. eta vs tors. theta energy: -46.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -469.744542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.744542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.744542 (E_RNA)
where:
Base-Base interactions energy: -331.106
where: short stacking energy: -142.065
Base-Backbone interact. energy: -1.641
local terms energy: -136.997395
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -27.463
flat angles C4'-P-C4' energy: -29.718
flat angles P-C4'-P energy: -21.545
tors. eta vs tors. theta energy: -44.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -443.997292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.997292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.997292 (E_RNA)
where:
Base-Base interactions energy: -308.419
where: short stacking energy: -137.258
Base-Backbone interact. energy: -0.328
local terms energy: -135.250040
where:
bonds (distance) C4'-P energy: -24.077
bonds (distance) P-C4' energy: -21.165
flat angles C4'-P-C4' energy: -29.010
flat angles P-C4'-P energy: -22.391
tors. eta vs tors. theta energy: -38.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -421.543222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.543222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.543222 (E_RNA)
where:
Base-Base interactions energy: -291.382
where: short stacking energy: -126.774
Base-Backbone interact. energy: -0.429
local terms energy: -129.732237
where:
bonds (distance) C4'-P energy: -21.279
bonds (distance) P-C4' energy: -25.438
flat angles C4'-P-C4' energy: -23.807
flat angles P-C4'-P energy: -21.756
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: 7, replica: 1
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -405.044113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.044113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.044113 (E_RNA)
where:
Base-Base interactions energy: -268.853
where: short stacking energy: -126.589
Base-Backbone interact. energy: -0.376
local terms energy: -135.814854
where:
bonds (distance) C4'-P energy: -25.789
bonds (distance) P-C4' energy: -28.193
flat angles C4'-P-C4' energy: -29.260
flat angles P-C4'-P energy: -15.375
tors. eta vs tors. theta energy: -37.199
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: 4
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -392.183972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.183972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.183972 (E_RNA)
where:
Base-Base interactions energy: -268.944
where: short stacking energy: -109.700
Base-Backbone interact. energy: -1.363
local terms energy: -121.876595
where:
bonds (distance) C4'-P energy: -21.353
bonds (distance) P-C4' energy: -28.560
flat angles C4'-P-C4' energy: -22.906
flat angles P-C4'-P energy: -14.178
tors. eta vs tors. theta energy: -34.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -163.417238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.417238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.417238 (E_RNA)
where:
Base-Base interactions energy: -73.307
where: short stacking energy: -62.652
Base-Backbone interact. energy: -0.076
local terms energy: -90.034435
where:
bonds (distance) C4'-P energy: -22.675
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -19.776
flat angles P-C4'-P energy: -16.501
tors. eta vs tors. theta energy: -12.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -212.740700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.740700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.740700 (E_RNA)
where:
Base-Base interactions energy: -125.984
where: short stacking energy: -54.623
Base-Backbone interact. energy: -1.697
local terms energy: -85.059948
where:
bonds (distance) C4'-P energy: -22.820
bonds (distance) P-C4' energy: -23.262
flat angles C4'-P-C4' energy: -22.365
flat angles P-C4'-P energy: -12.959
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: 8
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -530.856802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.856802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.856802 (E_RNA)
where:
Base-Base interactions energy: -376.811
where: short stacking energy: -154.196
Base-Backbone interact. energy: -0.478
local terms energy: -153.568639
where:
bonds (distance) C4'-P energy: -23.020
bonds (distance) P-C4' energy: -32.801
flat angles C4'-P-C4' energy: -28.401
flat angles P-C4'-P energy: -20.687
tors. eta vs tors. theta energy: -48.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -526.948948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.948948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.948948 (E_RNA)
where:
Base-Base interactions energy: -371.180
where: short stacking energy: -156.834
Base-Backbone interact. energy: 0.210
local terms energy: -155.978441
where:
bonds (distance) C4'-P energy: -24.460
bonds (distance) P-C4' energy: -30.219
flat angles C4'-P-C4' energy: -32.175
flat angles P-C4'-P energy: -21.021
tors. eta vs tors. theta energy: -48.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -517.760399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.760399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.760399 (E_RNA)
where:
Base-Base interactions energy: -370.157
where: short stacking energy: -146.642
Base-Backbone interact. energy: -0.121
local terms energy: -147.482019
where:
bonds (distance) C4'-P energy: -22.932
bonds (distance) P-C4' energy: -25.575
flat angles C4'-P-C4' energy: -31.034
flat angles P-C4'-P energy: -24.287
tors. eta vs tors. theta energy: -43.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -446.109190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.109190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.109190 (E_RNA)
where:
Base-Base interactions energy: -313.588
where: short stacking energy: -137.729
Base-Backbone interact. energy: -0.034
local terms energy: -132.487115
where:
bonds (distance) C4'-P energy: -24.052
bonds (distance) P-C4' energy: -24.049
flat angles C4'-P-C4' energy: -23.408
flat angles P-C4'-P energy: -22.141
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: 5, replica: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -440.031357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.031357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.031357 (E_RNA)
where:
Base-Base interactions energy: -299.879
where: short stacking energy: -134.470
Base-Backbone interact. energy: -0.661
local terms energy: -139.490780
where:
bonds (distance) C4'-P energy: -24.480
bonds (distance) P-C4' energy: -25.058
flat angles C4'-P-C4' energy: -28.368
flat angles P-C4'-P energy: -21.664
tors. eta vs tors. theta energy: -39.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -422.098259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.098259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.098259 (E_RNA)
where:
Base-Base interactions energy: -287.620
where: short stacking energy: -117.387
Base-Backbone interact. energy: -1.267
local terms energy: -133.211410
where:
bonds (distance) C4'-P energy: -23.942
bonds (distance) P-C4' energy: -25.005
flat angles C4'-P-C4' energy: -30.237
flat angles P-C4'-P energy: -18.883
tors. eta vs tors. theta energy: -35.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -434.430053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.430053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.430053 (E_RNA)
where:
Base-Base interactions energy: -298.599
where: short stacking energy: -131.419
Base-Backbone interact. energy: -0.641
local terms energy: -135.189592
where:
bonds (distance) C4'-P energy: -27.277
bonds (distance) P-C4' energy: -21.811
flat angles C4'-P-C4' energy: -27.814
flat angles P-C4'-P energy: -14.716
tors. eta vs tors. theta energy: -43.572
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: 213
Temperature: 1.250000
Total energy: -385.388403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.388403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.388403 (E_RNA)
where:
Base-Base interactions energy: -268.724
where: short stacking energy: -116.235
Base-Backbone interact. energy: 0.034
local terms energy: -116.697707
where:
bonds (distance) C4'-P energy: -21.567
bonds (distance) P-C4' energy: -26.679
flat angles C4'-P-C4' energy: -25.537
flat angles P-C4'-P energy: -16.103
tors. eta vs tors. theta energy: -26.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -144.416125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.416125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.416125 (E_RNA)
where:
Base-Base interactions energy: -56.825
where: short stacking energy: -52.049
Base-Backbone interact. energy: -0.856
local terms energy: -86.735374
where:
bonds (distance) C4'-P energy: -27.295
bonds (distance) P-C4' energy: -25.017
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -18.106
tors. eta vs tors. theta energy: 3.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -220.252075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.252075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.252075 (E_RNA)
where:
Base-Base interactions energy: -117.759
where: short stacking energy: -69.987
Base-Backbone interact. energy: -0.867
local terms energy: -101.625255
where:
bonds (distance) C4'-P energy: -23.841
bonds (distance) P-C4' energy: -27.684
flat angles C4'-P-C4' energy: -25.750
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -14.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -527.103462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.103462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.103462 (E_RNA)
where:
Base-Base interactions energy: -376.081
where: short stacking energy: -158.760
Base-Backbone interact. energy: -0.147
local terms energy: -150.875326
where:
bonds (distance) C4'-P energy: -27.833
bonds (distance) P-C4' energy: -27.694
flat angles C4'-P-C4' energy: -30.571
flat angles P-C4'-P energy: -22.486
tors. eta vs tors. theta energy: -42.291
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: 8
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -531.612445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.612445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.612445 (E_RNA)
where:
Base-Base interactions energy: -371.526
where: short stacking energy: -147.476
Base-Backbone interact. energy: -0.307
local terms energy: -159.779787
where:
bonds (distance) C4'-P energy: -33.737
bonds (distance) P-C4' energy: -28.084
flat angles C4'-P-C4' energy: -30.869
flat angles P-C4'-P energy: -22.154
tors. eta vs tors. theta energy: -44.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -517.552136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.552136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.552136 (E_RNA)
where:
Base-Base interactions energy: -370.067
where: short stacking energy: -144.552
Base-Backbone interact. energy: -0.627
local terms energy: -146.858692
where:
bonds (distance) C4'-P energy: -26.327
bonds (distance) P-C4' energy: -27.662
flat angles C4'-P-C4' energy: -25.414
flat angles P-C4'-P energy: -23.871
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: 3
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -437.752310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.752310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.752310 (E_RNA)
where:
Base-Base interactions energy: -301.875
where: short stacking energy: -130.178
Base-Backbone interact. energy: -0.172
local terms energy: -135.705372
where:
bonds (distance) C4'-P energy: -20.772
bonds (distance) P-C4' energy: -27.600
flat angles C4'-P-C4' energy: -33.631
flat angles P-C4'-P energy: -18.382
tors. eta vs tors. theta energy: -35.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -454.398669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.398669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.398669 (E_RNA)
where:
Base-Base interactions energy: -305.993
where: short stacking energy: -144.281
Base-Backbone interact. energy: -0.885
local terms energy: -147.520656
where:
bonds (distance) C4'-P energy: -24.670
bonds (distance) P-C4' energy: -28.119
flat angles C4'-P-C4' energy: -31.447
flat angles P-C4'-P energy: -18.309
tors. eta vs tors. theta energy: -44.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -420.804041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.804041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.804041 (E_RNA)
where:
Base-Base interactions energy: -295.679
where: short stacking energy: -129.031
Base-Backbone interact. energy: -0.734
local terms energy: -124.390849
where:
bonds (distance) C4'-P energy: -24.861
bonds (distance) P-C4' energy: -25.664
flat angles C4'-P-C4' energy: -22.134
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: -37.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -414.897780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.897780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.897780 (E_RNA)
where:
Base-Base interactions energy: -282.651
where: short stacking energy: -105.248
Base-Backbone interact. energy: -0.386
local terms energy: -131.860637
where:
bonds (distance) C4'-P energy: -26.545
bonds (distance) P-C4' energy: -32.405
flat angles C4'-P-C4' energy: -24.924
flat angles P-C4'-P energy: -15.114
tors. eta vs tors. theta energy: -32.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -386.359883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.359883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.359883 (E_RNA)
where:
Base-Base interactions energy: -274.471
where: short stacking energy: -110.559
Base-Backbone interact. energy: -1.460
local terms energy: -110.428967
where:
bonds (distance) C4'-P energy: -23.349
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -19.038
flat angles P-C4'-P energy: -19.883
tors. eta vs tors. theta energy: -25.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -236.214466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.214466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.214466 (E_RNA)
where:
Base-Base interactions energy: -126.581
where: short stacking energy: -65.843
Base-Backbone interact. energy: -1.078
local terms energy: -108.556136
where:
bonds (distance) C4'-P energy: -22.551
bonds (distance) P-C4' energy: -27.297
flat angles C4'-P-C4' energy: -27.192
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -14.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -139.881225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.881225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.881225 (E_RNA)
where:
Base-Base interactions energy: -51.703
where: short stacking energy: -45.042
Base-Backbone interact. energy: -0.524
local terms energy: -87.654517
where:
bonds (distance) C4'-P energy: -25.721
bonds (distance) P-C4' energy: -24.562
flat angles C4'-P-C4' energy: -21.044
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -4.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -533.261628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.261628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.261628 (E_RNA)
where:
Base-Base interactions energy: -377.391
where: short stacking energy: -158.460
Base-Backbone interact. energy: -0.060
local terms energy: -155.810701
where:
bonds (distance) C4'-P energy: -29.085
bonds (distance) P-C4' energy: -29.113
flat angles C4'-P-C4' energy: -32.673
flat angles P-C4'-P energy: -23.639
tors. eta vs tors. theta energy: -41.300
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: 6
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -515.964046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.964046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.964046 (E_RNA)
where:
Base-Base interactions energy: -364.970
where: short stacking energy: -150.501
Base-Backbone interact. energy: -0.178
local terms energy: -150.815316
where:
bonds (distance) C4'-P energy: -29.842
bonds (distance) P-C4' energy: -24.431
flat angles C4'-P-C4' energy: -28.764
flat angles P-C4'-P energy: -22.350
tors. eta vs tors. theta energy: -45.429
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: 8
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -517.572898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.572898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.572898 (E_RNA)
where:
Base-Base interactions energy: -368.741
where: short stacking energy: -158.413
Base-Backbone interact. energy: 1.123
local terms energy: -149.954616
where:
bonds (distance) C4'-P energy: -22.342
bonds (distance) P-C4' energy: -26.035
flat angles C4'-P-C4' energy: -33.385
flat angles P-C4'-P energy: -22.479
tors. eta vs tors. theta energy: -45.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -443.505739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.505739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.505739 (E_RNA)
where:
Base-Base interactions energy: -308.479
where: short stacking energy: -132.202
Base-Backbone interact. energy: 0.649
local terms energy: -135.675720
where:
bonds (distance) C4'-P energy: -22.631
bonds (distance) P-C4' energy: -21.462
flat angles C4'-P-C4' energy: -30.891
flat angles P-C4'-P energy: -20.230
tors. eta vs tors. theta energy: -40.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -453.985069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.985069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.985069 (E_RNA)
where:
Base-Base interactions energy: -308.709
where: short stacking energy: -143.104
Base-Backbone interact. energy: -0.102
local terms energy: -145.174579
where:
bonds (distance) C4'-P energy: -23.948
bonds (distance) P-C4' energy: -27.912
flat angles C4'-P-C4' energy: -27.294
flat angles P-C4'-P energy: -21.684
tors. eta vs tors. theta energy: -44.336
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: 9
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -422.864834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.864834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.864834 (E_RNA)
where:
Base-Base interactions energy: -291.793
where: short stacking energy: -124.572
Base-Backbone interact. energy: -0.023
local terms energy: -131.048094
where:
bonds (distance) C4'-P energy: -23.469
bonds (distance) P-C4' energy: -28.768
flat angles C4'-P-C4' energy: -27.599
flat angles P-C4'-P energy: -20.394
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: 7, replica: 1
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -412.386772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.386772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.386772 (E_RNA)
where:
Base-Base interactions energy: -292.862
where: short stacking energy: -115.478
Base-Backbone interact. energy: -0.295
local terms energy: -119.230377
where:
bonds (distance) C4'-P energy: -27.482
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -27.682
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -32.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -399.026340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.026340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.026340 (E_RNA)
where:
Base-Base interactions energy: -274.044
where: short stacking energy: -105.412
Base-Backbone interact. energy: -0.930
local terms energy: -124.052853
where:
bonds (distance) C4'-P energy: -20.038
bonds (distance) P-C4' energy: -28.472
flat angles C4'-P-C4' energy: -25.169
flat angles P-C4'-P energy: -20.928
tors. eta vs tors. theta energy: -29.446
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: 9, replica: 10
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -225.242916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.242916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.242916 (E_RNA)
where:
Base-Base interactions energy: -146.541
where: short stacking energy: -62.310
Base-Backbone interact. energy: 0.361
local terms energy: -79.063093
where:
bonds (distance) C4'-P energy: -21.010
bonds (distance) P-C4' energy: -22.022
flat angles C4'-P-C4' energy: -24.406
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -3.111
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: 5
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -139.299645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.299645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.299645 (E_RNA)
where:
Base-Base interactions energy: -39.196
where: short stacking energy: -36.193
Base-Backbone interact. energy: -0.150
local terms energy: -99.953788
where:
bonds (distance) C4'-P energy: -26.961
bonds (distance) P-C4' energy: -27.279
flat angles C4'-P-C4' energy: -24.987
flat angles P-C4'-P energy: -20.284
tors. eta vs tors. theta energy: -0.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -527.254004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.254004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.254004 (E_RNA)
where:
Base-Base interactions energy: -377.272
where: short stacking energy: -153.102
Base-Backbone interact. energy: 1.386
local terms energy: -151.367417
where:
bonds (distance) C4'-P energy: -25.878
bonds (distance) P-C4' energy: -24.159
flat angles C4'-P-C4' energy: -33.863
flat angles P-C4'-P energy: -24.416
tors. eta vs tors. theta energy: -43.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -529.331329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.331329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.331329 (E_RNA)
where:
Base-Base interactions energy: -374.347
where: short stacking energy: -159.698
Base-Backbone interact. energy: -0.010
local terms energy: -154.974141
where:
bonds (distance) C4'-P energy: -29.055
bonds (distance) P-C4' energy: -29.803
flat angles C4'-P-C4' energy: -31.335
flat angles P-C4'-P energy: -24.376
tors. eta vs tors. theta energy: -40.406
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: 8
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -518.968216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.968216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.968216 (E_RNA)
where:
Base-Base interactions energy: -383.127
where: short stacking energy: -147.423
Base-Backbone interact. energy: 0.985
local terms energy: -136.826249
where:
bonds (distance) C4'-P energy: -22.197
bonds (distance) P-C4' energy: -25.870
flat angles C4'-P-C4' energy: -28.534
flat angles P-C4'-P energy: -19.514
tors. eta vs tors. theta energy: -40.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -444.218729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.218729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.218729 (E_RNA)
where:
Base-Base interactions energy: -299.288
where: short stacking energy: -139.027
Base-Backbone interact. energy: -0.009
local terms energy: -144.921783
where:
bonds (distance) C4'-P energy: -21.582
bonds (distance) P-C4' energy: -31.252
flat angles C4'-P-C4' energy: -27.880
flat angles P-C4'-P energy: -20.083
tors. eta vs tors. theta energy: -44.125
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: 3
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -446.914808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.914808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.914808 (E_RNA)
where:
Base-Base interactions energy: -300.005
where: short stacking energy: -134.461
Base-Backbone interact. energy: -0.344
local terms energy: -146.565945
where:
bonds (distance) C4'-P energy: -24.914
bonds (distance) P-C4' energy: -26.855
flat angles C4'-P-C4' energy: -29.803
flat angles P-C4'-P energy: -24.424
tors. eta vs tors. theta energy: -40.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -432.383745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.383745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.383745 (E_RNA)
where:
Base-Base interactions energy: -297.573
where: short stacking energy: -115.976
Base-Backbone interact. energy: -0.342
local terms energy: -134.468116
where:
bonds (distance) C4'-P energy: -26.579
bonds (distance) P-C4' energy: -27.623
flat angles C4'-P-C4' energy: -25.097
flat angles P-C4'-P energy: -23.997
tors. eta vs tors. theta energy: -31.171
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: 7, replica: 1
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -403.628886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.628886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.628886 (E_RNA)
where:
Base-Base interactions energy: -283.329
where: short stacking energy: -118.498
Base-Backbone interact. energy: -0.198
local terms energy: -120.102110
where:
bonds (distance) C4'-P energy: -24.508
bonds (distance) P-C4' energy: -19.559
flat angles C4'-P-C4' energy: -25.937
flat angles P-C4'-P energy: -15.395
tors. eta vs tors. theta energy: -34.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -411.289386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.289386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.289386 (E_RNA)
where:
Base-Base interactions energy: -288.294
where: short stacking energy: -122.972
Base-Backbone interact. energy: -0.661
local terms energy: -122.333811
where:
bonds (distance) C4'-P energy: -24.467
bonds (distance) P-C4' energy: -25.876
flat angles C4'-P-C4' energy: -25.951
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -34.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -258.581108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.581108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.581108 (E_RNA)
where:
Base-Base interactions energy: -147.398
where: short stacking energy: -73.634
Base-Backbone interact. energy: -0.450
local terms energy: -110.733281
where:
bonds (distance) C4'-P energy: -23.921
bonds (distance) P-C4' energy: -28.034
flat angles C4'-P-C4' energy: -26.229
flat angles P-C4'-P energy: -18.496
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: 10, replica: 5
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -205.522505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.522505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.522505 (E_RNA)
where:
Base-Base interactions energy: -122.818
where: short stacking energy: -69.817
Base-Backbone interact. energy: 0.414
local terms energy: -83.118120
where:
bonds (distance) C4'-P energy: -19.747
bonds (distance) P-C4' energy: -20.797
flat angles C4'-P-C4' energy: -23.324
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: -13.204
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: 217
Temperature: 0.900000
Total energy: -527.515050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.515050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.515050 (E_RNA)
where:
Base-Base interactions energy: -379.513
where: short stacking energy: -150.304
Base-Backbone interact. energy: -0.182
local terms energy: -147.819997
where:
bonds (distance) C4'-P energy: -24.537
bonds (distance) P-C4' energy: -28.595
flat angles C4'-P-C4' energy: -32.029
flat angles P-C4'-P energy: -20.738
tors. eta vs tors. theta energy: -41.921
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: 7
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -520.487612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.487612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.487612 (E_RNA)
where:
Base-Base interactions energy: -375.679
where: short stacking energy: -151.848
Base-Backbone interact. energy: -0.001
local terms energy: -144.806894
where:
bonds (distance) C4'-P energy: -27.072
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -32.039
flat angles P-C4'-P energy: -23.884
tors. eta vs tors. theta energy: -44.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -518.738002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.738002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.738002 (E_RNA)
where:
Base-Base interactions energy: -371.194
where: short stacking energy: -153.404
Base-Backbone interact. energy: -0.086
local terms energy: -147.457945
where:
bonds (distance) C4'-P energy: -25.014
bonds (distance) P-C4' energy: -23.624
flat angles C4'-P-C4' energy: -30.917
flat angles P-C4'-P energy: -24.422
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: 4, replica: 3
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -445.251577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.251577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.251577 (E_RNA)
where:
Base-Base interactions energy: -316.099
where: short stacking energy: -131.227
Base-Backbone interact. energy: 0.882
local terms energy: -130.034373
where:
bonds (distance) C4'-P energy: -23.577
bonds (distance) P-C4' energy: -23.905
flat angles C4'-P-C4' energy: -28.187
flat angles P-C4'-P energy: -20.564
tors. eta vs tors. theta energy: -33.801
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: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -426.399700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.399700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.399700 (E_RNA)
where:
Base-Base interactions energy: -297.456
where: short stacking energy: -134.371
Base-Backbone interact. energy: -0.299
local terms energy: -128.645014
where:
bonds (distance) C4'-P energy: -22.311
bonds (distance) P-C4' energy: -28.943
flat angles C4'-P-C4' energy: -26.837
flat angles P-C4'-P energy: -16.090
tors. eta vs tors. theta energy: -34.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -427.295445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.295445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.295445 (E_RNA)
where:
Base-Base interactions energy: -310.904
where: short stacking energy: -132.024
Base-Backbone interact. energy: -0.084
local terms energy: -116.307337
where:
bonds (distance) C4'-P energy: -26.050
bonds (distance) P-C4' energy: -20.588
flat angles C4'-P-C4' energy: -24.345
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -32.182
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: 1
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -405.793304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.793304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.793304 (E_RNA)
where:
Base-Base interactions energy: -290.631
where: short stacking energy: -123.262
Base-Backbone interact. energy: -0.619
local terms energy: -114.543337
where:
bonds (distance) C4'-P energy: -22.880
bonds (distance) P-C4' energy: -23.757
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: -17.271
tors. eta vs tors. theta energy: -32.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -412.477158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.477158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.477158 (E_RNA)
where:
Base-Base interactions energy: -291.624
where: short stacking energy: -124.131
Base-Backbone interact. energy: -0.873
local terms energy: -119.980922
where:
bonds (distance) C4'-P energy: -19.738
bonds (distance) P-C4' energy: -20.557
flat angles C4'-P-C4' energy: -26.244
flat angles P-C4'-P energy: -17.411
tors. eta vs tors. theta energy: -36.031
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: 10
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -248.192085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.192085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.192085 (E_RNA)
where:
Base-Base interactions energy: -145.227
where: short stacking energy: -62.888
Base-Backbone interact. energy: -0.811
local terms energy: -102.153745
where:
bonds (distance) C4'-P energy: -26.194
bonds (distance) P-C4' energy: -29.144
flat angles C4'-P-C4' energy: -22.176
flat angles P-C4'-P energy: -14.779
tors. eta vs tors. theta energy: -9.861
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: 10, replica: 5
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -212.127127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.127127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.127127 (E_RNA)
where:
Base-Base interactions energy: -121.924
where: short stacking energy: -61.107
Base-Backbone interact. energy: -0.413
local terms energy: -89.790961
where:
bonds (distance) C4'-P energy: -19.414
bonds (distance) P-C4' energy: -22.696
flat angles C4'-P-C4' energy: -22.168
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -11.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -537.888241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.888241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.888241 (E_RNA)
where:
Base-Base interactions energy: -382.372
where: short stacking energy: -162.403
Base-Backbone interact. energy: -0.000
local terms energy: -155.515737
where:
bonds (distance) C4'-P energy: -26.213
bonds (distance) P-C4' energy: -29.314
flat angles C4'-P-C4' energy: -29.987
flat angles P-C4'-P energy: -21.677
tors. eta vs tors. theta energy: -48.325
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: 7
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -518.860205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.860205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.860205 (E_RNA)
where:
Base-Base interactions energy: -366.833
where: short stacking energy: -145.445
Base-Backbone interact. energy: -0.086
local terms energy: -151.941064
where:
bonds (distance) C4'-P energy: -29.712
bonds (distance) P-C4' energy: -26.626
flat angles C4'-P-C4' energy: -30.003
flat angles P-C4'-P energy: -23.530
tors. eta vs tors. theta energy: -42.071
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: 218
Temperature: 1.000000
Total energy: -516.056295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.056295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.056295 (E_RNA)
where:
Base-Base interactions energy: -371.852
where: short stacking energy: -158.477
Base-Backbone interact. energy: 1.057
local terms energy: -145.261603
where:
bonds (distance) C4'-P energy: -26.740
bonds (distance) P-C4' energy: -25.515
flat angles C4'-P-C4' energy: -31.116
flat angles P-C4'-P energy: -17.573
tors. eta vs tors. theta energy: -44.318
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: 218
Temperature: 1.050000
Total energy: -470.241495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.241495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.241495 (E_RNA)
where:
Base-Base interactions energy: -332.021
where: short stacking energy: -142.204
Base-Backbone interact. energy: -0.246
local terms energy: -137.973768
where:
bonds (distance) C4'-P energy: -29.894
bonds (distance) P-C4' energy: -24.988
flat angles C4'-P-C4' energy: -26.970
flat angles P-C4'-P energy: -15.197
tors. eta vs tors. theta energy: -40.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -439.578552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.578552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.578552 (E_RNA)
where:
Base-Base interactions energy: -303.403
where: short stacking energy: -139.396
Base-Backbone interact. energy: -0.726
local terms energy: -135.449243
where:
bonds (distance) C4'-P energy: -25.513
bonds (distance) P-C4' energy: -27.315
flat angles C4'-P-C4' energy: -23.445
flat angles P-C4'-P energy: -16.591
tors. eta vs tors. theta energy: -42.585
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: 9
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -420.009219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.009219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.009219 (E_RNA)
where:
Base-Base interactions energy: -304.899
where: short stacking energy: -121.141
Base-Backbone interact. energy: 0.114
local terms energy: -115.224683
where:
bonds (distance) C4'-P energy: -21.296
bonds (distance) P-C4' energy: -22.930
flat angles C4'-P-C4' energy: -27.144
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -31.549
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: 4
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -431.113374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.113374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.113374 (E_RNA)
where:
Base-Base interactions energy: -300.456
where: short stacking energy: -122.716
Base-Backbone interact. energy: -0.187
local terms energy: -130.469994
where:
bonds (distance) C4'-P energy: -24.682
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -27.007
flat angles P-C4'-P energy: -20.413
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: 1
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -399.510266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.510266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.510266 (E_RNA)
where:
Base-Base interactions energy: -273.110
where: short stacking energy: -120.614
Base-Backbone interact. energy: -0.377
local terms energy: -126.023729
where:
bonds (distance) C4'-P energy: -20.084
bonds (distance) P-C4' energy: -24.546
flat angles C4'-P-C4' energy: -30.907
flat angles P-C4'-P energy: -15.209
tors. eta vs tors. theta energy: -35.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -218.043980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.043980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.043980 (E_RNA)
where:
Base-Base interactions energy: -118.498
where: short stacking energy: -55.125
Base-Backbone interact. energy: -0.187
local terms energy: -99.359118
where:
bonds (distance) C4'-P energy: -20.575
bonds (distance) P-C4' energy: -25.018
flat angles C4'-P-C4' energy: -26.078
flat angles P-C4'-P energy: -19.562
tors. eta vs tors. theta energy: -8.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -223.264575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.264575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.264575 (E_RNA)
where:
Base-Base interactions energy: -121.184
where: short stacking energy: -63.778
Base-Backbone interact. energy: -0.441
local terms energy: -101.640367
where:
bonds (distance) C4'-P energy: -28.441
bonds (distance) P-C4' energy: -24.676
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -18.824
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: 1, replica: 6
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -539.638201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.638201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.638201 (E_RNA)
where:
Base-Base interactions energy: -374.941
where: short stacking energy: -152.194
Base-Backbone interact. energy: -1.000
local terms energy: -163.696768
where:
bonds (distance) C4'-P energy: -29.619
bonds (distance) P-C4' energy: -31.403
flat angles C4'-P-C4' energy: -32.893
flat angles P-C4'-P energy: -21.665
tors. eta vs tors. theta energy: -48.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -529.262352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.262352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.262352 (E_RNA)
where:
Base-Base interactions energy: -368.934
where: short stacking energy: -153.089
Base-Backbone interact. energy: 0.253
local terms energy: -160.581684
where:
bonds (distance) C4'-P energy: -26.991
bonds (distance) P-C4' energy: -34.828
flat angles C4'-P-C4' energy: -30.600
flat angles P-C4'-P energy: -26.132
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: 3, replica: 8
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -515.498327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.498327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.498327 (E_RNA)
where:
Base-Base interactions energy: -366.610
where: short stacking energy: -151.103
Base-Backbone interact. energy: -0.318
local terms energy: -148.570138
where:
bonds (distance) C4'-P energy: -26.110
bonds (distance) P-C4' energy: -31.156
flat angles C4'-P-C4' energy: -28.290
flat angles P-C4'-P energy: -19.112
tors. eta vs tors. theta energy: -43.901
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: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -453.910346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.910346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.910346 (E_RNA)
where:
Base-Base interactions energy: -308.385
where: short stacking energy: -135.239
Base-Backbone interact. energy: -0.059
local terms energy: -145.466404
where:
bonds (distance) C4'-P energy: -25.398
bonds (distance) P-C4' energy: -30.613
flat angles C4'-P-C4' energy: -28.226
flat angles P-C4'-P energy: -20.889
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: 5, replica: 3
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -463.124019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.124019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.124019 (E_RNA)
where:
Base-Base interactions energy: -324.913
where: short stacking energy: -129.230
Base-Backbone interact. energy: 0.110
local terms energy: -138.321105
where:
bonds (distance) C4'-P energy: -20.369
bonds (distance) P-C4' energy: -26.480
flat angles C4'-P-C4' energy: -33.359
flat angles P-C4'-P energy: -19.178
tors. eta vs tors. theta energy: -38.935
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: 9
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -444.574834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.574834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.574834 (E_RNA)
where:
Base-Base interactions energy: -322.157
where: short stacking energy: -124.697
Base-Backbone interact. energy: -0.458
local terms energy: -121.959443
where:
bonds (distance) C4'-P energy: -23.065
bonds (distance) P-C4' energy: -26.999
flat angles C4'-P-C4' energy: -26.584
flat angles P-C4'-P energy: -14.429
tors. eta vs tors. theta energy: -30.883
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: 4
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -408.389422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.389422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.389422 (E_RNA)
where:
Base-Base interactions energy: -276.563
where: short stacking energy: -108.742
Base-Backbone interact. energy: -1.105
local terms energy: -130.722108
where:
bonds (distance) C4'-P energy: -25.583
bonds (distance) P-C4' energy: -25.134
flat angles C4'-P-C4' energy: -33.432
flat angles P-C4'-P energy: -20.513
tors. eta vs tors. theta energy: -26.059
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: 8, replica: 1
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -420.183309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.183309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.183309 (E_RNA)
where:
Base-Base interactions energy: -288.874
where: short stacking energy: -122.216
Base-Backbone interact. energy: -0.606
local terms energy: -130.703054
where:
bonds (distance) C4'-P energy: -24.782
bonds (distance) P-C4' energy: -23.302
flat angles C4'-P-C4' energy: -28.733
flat angles P-C4'-P energy: -16.111
tors. eta vs tors. theta energy: -37.775
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: 5
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -217.630359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.630359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.630359 (E_RNA)
where:
Base-Base interactions energy: -120.244
where: short stacking energy: -66.396
Base-Backbone interact. energy: -0.238
local terms energy: -97.148656
where:
bonds (distance) C4'-P energy: -29.969
bonds (distance) P-C4' energy: -21.708
flat angles C4'-P-C4' energy: -23.002
flat angles P-C4'-P energy: -15.344
tors. eta vs tors. theta energy: -7.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -216.212279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.212279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.212279 (E_RNA)
where:
Base-Base interactions energy: -114.653
where: short stacking energy: -63.204
Base-Backbone interact. energy: -0.884
local terms energy: -100.676047
where:
bonds (distance) C4'-P energy: -27.162
bonds (distance) P-C4' energy: -19.927
flat angles C4'-P-C4' energy: -27.172
flat angles P-C4'-P energy: -14.775
tors. eta vs tors. theta energy: -11.639
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: 7
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -529.915818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.915818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.915818 (E_RNA)
where:
Base-Base interactions energy: -370.713
where: short stacking energy: -149.268
Base-Backbone interact. energy: -0.208
local terms energy: -158.994071
where:
bonds (distance) C4'-P energy: -27.386
bonds (distance) P-C4' energy: -32.404
flat angles C4'-P-C4' energy: -31.102
flat angles P-C4'-P energy: -27.909
tors. eta vs tors. theta energy: -40.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -533.333751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.333751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.333751 (E_RNA)
where:
Base-Base interactions energy: -370.129
where: short stacking energy: -153.177
Base-Backbone interact. energy: -0.004
local terms energy: -163.200875
where:
bonds (distance) C4'-P energy: -30.329
bonds (distance) P-C4' energy: -29.863
flat angles C4'-P-C4' energy: -31.426
flat angles P-C4'-P energy: -22.273
tors. eta vs tors. theta energy: -49.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -517.412449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.412449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.412449 (E_RNA)
where:
Base-Base interactions energy: -375.491
where: short stacking energy: -153.260
Base-Backbone interact. energy: 1.688
local terms energy: -143.609758
where:
bonds (distance) C4'-P energy: -24.315
bonds (distance) P-C4' energy: -27.690
flat angles C4'-P-C4' energy: -22.633
flat angles P-C4'-P energy: -25.425
tors. eta vs tors. theta energy: -43.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -465.749903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.749903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.749903 (E_RNA)
where:
Base-Base interactions energy: -310.643
where: short stacking energy: -134.008
Base-Backbone interact. energy: -0.001
local terms energy: -155.106492
where:
bonds (distance) C4'-P energy: -30.338
bonds (distance) P-C4' energy: -31.049
flat angles C4'-P-C4' energy: -30.026
flat angles P-C4'-P energy: -19.993
tors. eta vs tors. theta energy: -43.701
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: 9
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -434.002825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.002825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.002825 (E_RNA)
where:
Base-Base interactions energy: -300.284
where: short stacking energy: -122.308
Base-Backbone interact. energy: -0.614
local terms energy: -133.104595
where:
bonds (distance) C4'-P energy: -26.164
bonds (distance) P-C4' energy: -25.271
flat angles C4'-P-C4' energy: -28.311
flat angles P-C4'-P energy: -23.106
tors. eta vs tors. theta energy: -30.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -458.386041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.386041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.386041 (E_RNA)
where:
Base-Base interactions energy: -326.423
where: short stacking energy: -135.448
Base-Backbone interact. energy: -0.520
local terms energy: -131.442635
where:
bonds (distance) C4'-P energy: -27.062
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -29.397
flat angles P-C4'-P energy: -19.141
tors. eta vs tors. theta energy: -35.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -409.340677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.340677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.340677 (E_RNA)
where:
Base-Base interactions energy: -271.163
where: short stacking energy: -118.599
Base-Backbone interact. energy: -0.913
local terms energy: -137.263971
where:
bonds (distance) C4'-P energy: -28.799
bonds (distance) P-C4' energy: -31.602
flat angles C4'-P-C4' energy: -29.158
flat angles P-C4'-P energy: -14.963
tors. eta vs tors. theta energy: -32.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -391.929553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.929553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.929553 (E_RNA)
where:
Base-Base interactions energy: -282.331
where: short stacking energy: -115.314
Base-Backbone interact. energy: 0.201
local terms energy: -109.799923
where:
bonds (distance) C4'-P energy: -19.142
bonds (distance) P-C4' energy: -20.573
flat angles C4'-P-C4' energy: -27.668
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -29.838
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: 10
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -219.879958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.879958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.879958 (E_RNA)
where:
Base-Base interactions energy: -117.853
where: short stacking energy: -64.236
Base-Backbone interact. energy: -0.588
local terms energy: -101.439050
where:
bonds (distance) C4'-P energy: -27.692
bonds (distance) P-C4' energy: -23.362
flat angles C4'-P-C4' energy: -25.912
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -12.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -197.688505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.688505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.688505 (E_RNA)
where:
Base-Base interactions energy: -100.159
where: short stacking energy: -50.709
Base-Backbone interact. energy: -0.716
local terms energy: -96.813929
where:
bonds (distance) C4'-P energy: -24.301
bonds (distance) P-C4' energy: -24.745
flat angles C4'-P-C4' energy: -22.244
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: -8.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -538.314290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.314290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.314290 (E_RNA)
where:
Base-Base interactions energy: -384.634
where: short stacking energy: -155.885
Base-Backbone interact. energy: -0.084
local terms energy: -153.596386
where:
bonds (distance) C4'-P energy: -28.919
bonds (distance) P-C4' energy: -29.559
flat angles C4'-P-C4' energy: -31.054
flat angles P-C4'-P energy: -23.108
tors. eta vs tors. theta energy: -40.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -537.354506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.354506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.354506 (E_RNA)
where:
Base-Base interactions energy: -381.563
where: short stacking energy: -153.521
Base-Backbone interact. energy: -0.747
local terms energy: -155.043561
where:
bonds (distance) C4'-P energy: -26.563
bonds (distance) P-C4' energy: -28.682
flat angles C4'-P-C4' energy: -32.721
flat angles P-C4'-P energy: -26.067
tors. eta vs tors. theta energy: -41.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -524.070668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.070668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.070668 (E_RNA)
where:
Base-Base interactions energy: -360.288
where: short stacking energy: -150.011
Base-Backbone interact. energy: -0.289
local terms energy: -163.493364
where:
bonds (distance) C4'-P energy: -30.200
bonds (distance) P-C4' energy: -31.003
flat angles C4'-P-C4' energy: -32.828
flat angles P-C4'-P energy: -24.549
tors. eta vs tors. theta energy: -44.913
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: 2
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -459.101471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.101471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.101471 (E_RNA)
where:
Base-Base interactions energy: -307.258
where: short stacking energy: -148.833
Base-Backbone interact. energy: -0.078
local terms energy: -151.765977
where:
bonds (distance) C4'-P energy: -28.665
bonds (distance) P-C4' energy: -24.864
flat angles C4'-P-C4' energy: -31.751
flat angles P-C4'-P energy: -21.984
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: 5, replica: 9
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -441.331933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.331933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.331933 (E_RNA)
where:
Base-Base interactions energy: -303.976
where: short stacking energy: -120.596
Base-Backbone interact. energy: -0.816
local terms energy: -136.539630
where:
bonds (distance) C4'-P energy: -23.205
bonds (distance) P-C4' energy: -31.956
flat angles C4'-P-C4' energy: -22.807
flat angles P-C4'-P energy: -22.064
tors. eta vs tors. theta energy: -36.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -440.447482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.447482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.447482 (E_RNA)
where:
Base-Base interactions energy: -306.499
where: short stacking energy: -134.399
Base-Backbone interact. energy: -0.386
local terms energy: -133.561948
where:
bonds (distance) C4'-P energy: -25.043
bonds (distance) P-C4' energy: -22.411
flat angles C4'-P-C4' energy: -25.972
flat angles P-C4'-P energy: -25.393
tors. eta vs tors. theta energy: -34.743
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: 221
Temperature: 1.200000
Total energy: -374.403057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.403057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.403057 (E_RNA)
where:
Base-Base interactions energy: -255.708
where: short stacking energy: -101.767
Base-Backbone interact. energy: -0.406
local terms energy: -118.289372
where:
bonds (distance) C4'-P energy: -22.577
bonds (distance) P-C4' energy: -23.925
flat angles C4'-P-C4' energy: -24.605
flat angles P-C4'-P energy: -17.958
tors. eta vs tors. theta energy: -29.224
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: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -402.192320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.192320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.192320 (E_RNA)
where:
Base-Base interactions energy: -275.092
where: short stacking energy: -99.604
Base-Backbone interact. energy: -0.501
local terms energy: -126.599214
where:
bonds (distance) C4'-P energy: -21.705
bonds (distance) P-C4' energy: -26.866
flat angles C4'-P-C4' energy: -29.160
flat angles P-C4'-P energy: -16.635
tors. eta vs tors. theta energy: -32.233
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: 10
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -207.745501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.745501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.745501 (E_RNA)
where:
Base-Base interactions energy: -119.943
where: short stacking energy: -51.080
Base-Backbone interact. energy: -0.823
local terms energy: -86.979040
where:
bonds (distance) C4'-P energy: -24.033
bonds (distance) P-C4' energy: -24.610
flat angles C4'-P-C4' energy: -24.632
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -3.887
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: 5
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -189.758997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.758997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.758997 (E_RNA)
where:
Base-Base interactions energy: -94.167
where: short stacking energy: -46.028
Base-Backbone interact. energy: -1.228
local terms energy: -94.364572
where:
bonds (distance) C4'-P energy: -23.888
bonds (distance) P-C4' energy: -32.458
flat angles C4'-P-C4' energy: -26.111
flat angles P-C4'-P energy: -15.326
tors. eta vs tors. theta energy: 3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -541.000244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.000244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.000244 (E_RNA)
where:
Base-Base interactions energy: -379.599
where: short stacking energy: -161.945
Base-Backbone interact. energy: -0.134
local terms energy: -161.267571
where:
bonds (distance) C4'-P energy: -30.660
bonds (distance) P-C4' energy: -26.437
flat angles C4'-P-C4' energy: -33.575
flat angles P-C4'-P energy: -21.942
tors. eta vs tors. theta energy: -48.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -526.186637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.186637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.186637 (E_RNA)
where:
Base-Base interactions energy: -381.432
where: short stacking energy: -155.157
Base-Backbone interact. energy: -0.098
local terms energy: -144.657037
where:
bonds (distance) C4'-P energy: -21.626
bonds (distance) P-C4' energy: -27.530
flat angles C4'-P-C4' energy: -29.855
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -41.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -516.847267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.847267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.847267 (E_RNA)
where:
Base-Base interactions energy: -363.320
where: short stacking energy: -138.430
Base-Backbone interact. energy: -1.570
local terms energy: -151.957503
where:
bonds (distance) C4'-P energy: -28.876
bonds (distance) P-C4' energy: -28.850
flat angles C4'-P-C4' energy: -28.720
flat angles P-C4'-P energy: -24.851
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: 2
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -470.835533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.835533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.835533 (E_RNA)
where:
Base-Base interactions energy: -310.487
where: short stacking energy: -151.839
Base-Backbone interact. energy: -0.010
local terms energy: -160.338991
where:
bonds (distance) C4'-P energy: -22.810
bonds (distance) P-C4' energy: -27.581
flat angles C4'-P-C4' energy: -35.701
flat angles P-C4'-P energy: -26.853
tors. eta vs tors. theta energy: -47.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -431.476053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.476053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.476053 (E_RNA)
where:
Base-Base interactions energy: -293.776
where: short stacking energy: -115.172
Base-Backbone interact. energy: 0.242
local terms energy: -137.941202
where:
bonds (distance) C4'-P energy: -28.723
bonds (distance) P-C4' energy: -25.544
flat angles C4'-P-C4' energy: -25.087
flat angles P-C4'-P energy: -20.724
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: 6, replica: 3
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -451.202590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.202590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.202590 (E_RNA)
where:
Base-Base interactions energy: -309.186
where: short stacking energy: -131.632
Base-Backbone interact. energy: 1.514
local terms energy: -143.530969
where:
bonds (distance) C4'-P energy: -29.376
bonds (distance) P-C4' energy: -29.403
flat angles C4'-P-C4' energy: -26.711
flat angles P-C4'-P energy: -18.296
tors. eta vs tors. theta energy: -39.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -354.191681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.191681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.191681 (E_RNA)
where:
Base-Base interactions energy: -245.655
where: short stacking energy: -105.737
Base-Backbone interact. energy: 0.243
local terms energy: -108.779421
where:
bonds (distance) C4'-P energy: -23.096
bonds (distance) P-C4' energy: -21.561
flat angles C4'-P-C4' energy: -27.619
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -25.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -396.688034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.688034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.688034 (E_RNA)
where:
Base-Base interactions energy: -287.727
where: short stacking energy: -111.224
Base-Backbone interact. energy: -0.361
local terms energy: -108.600470
where:
bonds (distance) C4'-P energy: -22.099
bonds (distance) P-C4' energy: -23.507
flat angles C4'-P-C4' energy: -20.119
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -31.355
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: 10
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -241.228611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.228611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.228611 (E_RNA)
where:
Base-Base interactions energy: -140.110
where: short stacking energy: -69.755
Base-Backbone interact. energy: -0.576
local terms energy: -100.542235
where:
bonds (distance) C4'-P energy: -29.614
bonds (distance) P-C4' energy: -23.806
flat angles C4'-P-C4' energy: -23.484
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -9.568
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: 5
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -202.607976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.607976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.607976 (E_RNA)
where:
Base-Base interactions energy: -102.422
where: short stacking energy: -55.005
Base-Backbone interact. energy: -0.165
local terms energy: -100.021143
where:
bonds (distance) C4'-P energy: -25.843
bonds (distance) P-C4' energy: -27.164
flat angles C4'-P-C4' energy: -24.865
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -6.011
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: 7
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -549.531901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.531901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.531901 (E_RNA)
where:
Base-Base interactions energy: -384.664
where: short stacking energy: -154.239
Base-Backbone interact. energy: -0.015
local terms energy: -164.852691
where:
bonds (distance) C4'-P energy: -33.011
bonds (distance) P-C4' energy: -27.326
flat angles C4'-P-C4' energy: -33.410
flat angles P-C4'-P energy: -23.603
tors. eta vs tors. theta energy: -47.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -521.792914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.792914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.792914 (E_RNA)
where:
Base-Base interactions energy: -365.310
where: short stacking energy: -157.557
Base-Backbone interact. energy: -0.380
local terms energy: -156.102879
where:
bonds (distance) C4'-P energy: -25.063
bonds (distance) P-C4' energy: -29.630
flat angles C4'-P-C4' energy: -30.781
flat angles P-C4'-P energy: -22.826
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: 3, replica: 8
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -527.404913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.404913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.404913 (E_RNA)
where:
Base-Base interactions energy: -373.488
where: short stacking energy: -155.175
Base-Backbone interact. energy: -0.375
local terms energy: -153.541468
where:
bonds (distance) C4'-P energy: -27.309
bonds (distance) P-C4' energy: -27.687
flat angles C4'-P-C4' energy: -30.529
flat angles P-C4'-P energy: -23.873
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: 4, replica: 9
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -448.946509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.946509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.946509 (E_RNA)
where:
Base-Base interactions energy: -302.286
where: short stacking energy: -133.488
Base-Backbone interact. energy: -0.373
local terms energy: -146.288292
where:
bonds (distance) C4'-P energy: -28.543
bonds (distance) P-C4' energy: -24.937
flat angles C4'-P-C4' energy: -29.998
flat angles P-C4'-P energy: -20.142
tors. eta vs tors. theta energy: -42.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -443.212149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.212149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.212149 (E_RNA)
where:
Base-Base interactions energy: -298.535
where: short stacking energy: -133.825
Base-Backbone interact. energy: 1.317
local terms energy: -145.994283
where:
bonds (distance) C4'-P energy: -22.414
bonds (distance) P-C4' energy: -29.681
flat angles C4'-P-C4' energy: -28.196
flat angles P-C4'-P energy: -19.246
tors. eta vs tors. theta energy: -46.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -438.019131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.019131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.019131 (E_RNA)
where:
Base-Base interactions energy: -304.966
where: short stacking energy: -121.841
Base-Backbone interact. energy: -0.034
local terms energy: -133.018622
where:
bonds (distance) C4'-P energy: -22.516
bonds (distance) P-C4' energy: -25.459
flat angles C4'-P-C4' energy: -28.099
flat angles P-C4'-P energy: -18.986
tors. eta vs tors. theta energy: -37.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -340.033409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.033409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.033409 (E_RNA)
where:
Base-Base interactions energy: -229.073
where: short stacking energy: -94.941
Base-Backbone interact. energy: -0.530
local terms energy: -110.430412
where:
bonds (distance) C4'-P energy: -24.895
bonds (distance) P-C4' energy: -22.325
flat angles C4'-P-C4' energy: -23.741
flat angles P-C4'-P energy: -23.477
tors. eta vs tors. theta energy: -15.993
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: 1
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -365.259538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.259538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.259538 (E_RNA)
where:
Base-Base interactions energy: -252.766
where: short stacking energy: -106.896
Base-Backbone interact. energy: -0.421
local terms energy: -112.072627
where:
bonds (distance) C4'-P energy: -20.487
bonds (distance) P-C4' energy: -23.576
flat angles C4'-P-C4' energy: -26.170
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -28.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -216.327723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.327723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.327723 (E_RNA)
where:
Base-Base interactions energy: -121.619
where: short stacking energy: -62.382
Base-Backbone interact. energy: -0.460
local terms energy: -94.248782
where:
bonds (distance) C4'-P energy: -24.712
bonds (distance) P-C4' energy: -28.230
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -20.852
tors. eta vs tors. theta energy: -3.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -194.994886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.994886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.994886 (E_RNA)
where:
Base-Base interactions energy: -103.516
where: short stacking energy: -55.196
Base-Backbone interact. energy: -0.691
local terms energy: -90.787147
where:
bonds (distance) C4'-P energy: -20.385
bonds (distance) P-C4' energy: -28.353
flat angles C4'-P-C4' energy: -22.861
flat angles P-C4'-P energy: -17.717
tors. eta vs tors. theta energy: -1.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -540.822600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.822600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.822600 (E_RNA)
where:
Base-Base interactions energy: -377.009
where: short stacking energy: -159.519
Base-Backbone interact. energy: -0.510
local terms energy: -163.303195
where:
bonds (distance) C4'-P energy: -29.394
bonds (distance) P-C4' energy: -32.599
flat angles C4'-P-C4' energy: -31.284
flat angles P-C4'-P energy: -22.958
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: 2, replica: 6
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -526.178038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.178038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.178038 (E_RNA)
where:
Base-Base interactions energy: -370.525
where: short stacking energy: -153.951
Base-Backbone interact. energy: -0.299
local terms energy: -155.353584
where:
bonds (distance) C4'-P energy: -26.120
bonds (distance) P-C4' energy: -33.081
flat angles C4'-P-C4' energy: -30.420
flat angles P-C4'-P energy: -20.284
tors. eta vs tors. theta energy: -45.448
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: 8
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -517.025836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.025836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.025836 (E_RNA)
where:
Base-Base interactions energy: -369.645
where: short stacking energy: -147.030
Base-Backbone interact. energy: -0.528
local terms energy: -146.853039
where:
bonds (distance) C4'-P energy: -29.033
bonds (distance) P-C4' energy: -31.108
flat angles C4'-P-C4' energy: -29.401
flat angles P-C4'-P energy: -13.988
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: 4, replica: 9
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -447.154491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.154491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.154491 (E_RNA)
where:
Base-Base interactions energy: -308.215
where: short stacking energy: -128.570
Base-Backbone interact. energy: -0.098
local terms energy: -138.841402
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -30.483
flat angles C4'-P-C4' energy: -31.216
flat angles P-C4'-P energy: -22.997
tors. eta vs tors. theta energy: -38.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -449.764331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.764331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.764331 (E_RNA)
where:
Base-Base interactions energy: -301.361
where: short stacking energy: -144.741
Base-Backbone interact. energy: -0.877
local terms energy: -147.526413
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -32.102
flat angles C4'-P-C4' energy: -26.641
flat angles P-C4'-P energy: -23.140
tors. eta vs tors. theta energy: -46.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -442.822493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.822493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.822493 (E_RNA)
where:
Base-Base interactions energy: -307.595
where: short stacking energy: -122.806
Base-Backbone interact. energy: -0.006
local terms energy: -135.221886
where:
bonds (distance) C4'-P energy: -28.068
bonds (distance) P-C4' energy: -28.233
flat angles C4'-P-C4' energy: -27.937
flat angles P-C4'-P energy: -16.195
tors. eta vs tors. theta energy: -34.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -397.311332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.311332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.311332 (E_RNA)
where:
Base-Base interactions energy: -267.147
where: short stacking energy: -117.191
Base-Backbone interact. energy: -0.350
local terms energy: -129.814543
where:
bonds (distance) C4'-P energy: -27.041
bonds (distance) P-C4' energy: -21.638
flat angles C4'-P-C4' energy: -27.625
flat angles P-C4'-P energy: -20.128
tors. eta vs tors. theta energy: -33.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -345.921017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.921017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.921017 (E_RNA)
where:
Base-Base interactions energy: -238.231
where: short stacking energy: -97.292
Base-Backbone interact. energy: -0.170
local terms energy: -107.519865
where:
bonds (distance) C4'-P energy: -26.772
bonds (distance) P-C4' energy: -24.943
flat angles C4'-P-C4' energy: -25.204
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -16.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -216.693658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.693658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.693658 (E_RNA)
where:
Base-Base interactions energy: -122.157
where: short stacking energy: -65.978
Base-Backbone interact. energy: 0.170
local terms energy: -94.707286
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -25.361
flat angles C4'-P-C4' energy: -26.669
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -14.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -193.623562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.623562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.623562 (E_RNA)
where:
Base-Base interactions energy: -102.431
where: short stacking energy: -49.459
Base-Backbone interact. energy: -0.699
local terms energy: -90.492838
where:
bonds (distance) C4'-P energy: -26.773
bonds (distance) P-C4' energy: -24.422
flat angles C4'-P-C4' energy: -21.236
flat angles P-C4'-P energy: -17.784
tors. eta vs tors. theta energy: -0.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -528.547897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.547897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.547897 (E_RNA)
where:
Base-Base interactions energy: -379.659
where: short stacking energy: -153.506
Base-Backbone interact. energy: -0.639
local terms energy: -148.250324
where:
bonds (distance) C4'-P energy: -25.984
bonds (distance) P-C4' energy: -30.901
flat angles C4'-P-C4' energy: -29.629
flat angles P-C4'-P energy: -15.653
tors. eta vs tors. theta energy: -46.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -524.199068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.199068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.199068 (E_RNA)
where:
Base-Base interactions energy: -372.030
where: short stacking energy: -157.600
Base-Backbone interact. energy: -0.349
local terms energy: -151.820792
where:
bonds (distance) C4'-P energy: -23.196
bonds (distance) P-C4' energy: -28.899
flat angles C4'-P-C4' energy: -31.586
flat angles P-C4'-P energy: -22.216
tors. eta vs tors. theta energy: -45.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -517.756160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.756160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.756160 (E_RNA)
where:
Base-Base interactions energy: -369.219
where: short stacking energy: -156.813
Base-Backbone interact. energy: -0.143
local terms energy: -148.394083
where:
bonds (distance) C4'-P energy: -24.455
bonds (distance) P-C4' energy: -27.317
flat angles C4'-P-C4' energy: -30.349
flat angles P-C4'-P energy: -24.425
tors. eta vs tors. theta energy: -41.848
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: 9
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -455.573235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.573235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.573235 (E_RNA)
where:
Base-Base interactions energy: -309.676
where: short stacking energy: -130.080
Base-Backbone interact. energy: -1.189
local terms energy: -144.707999
where:
bonds (distance) C4'-P energy: -29.674
bonds (distance) P-C4' energy: -29.696
flat angles C4'-P-C4' energy: -29.081
flat angles P-C4'-P energy: -21.840
tors. eta vs tors. theta energy: -34.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -442.843374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.843374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.843374 (E_RNA)
where:
Base-Base interactions energy: -306.067
where: short stacking energy: -140.378
Base-Backbone interact. energy: -0.165
local terms energy: -136.611456
where:
bonds (distance) C4'-P energy: -10.056
bonds (distance) P-C4' energy: -28.312
flat angles C4'-P-C4' energy: -28.658
flat angles P-C4'-P energy: -26.206
tors. eta vs tors. theta energy: -43.380
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: 3
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -434.407509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.407509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.407509 (E_RNA)
where:
Base-Base interactions energy: -307.511
where: short stacking energy: -127.295
Base-Backbone interact. energy: 0.666
local terms energy: -127.562799
where:
bonds (distance) C4'-P energy: -25.619
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -24.983
flat angles P-C4'-P energy: -21.331
tors. eta vs tors. theta energy: -36.892
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: 7, replica: 1
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -394.009591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.009591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.009591 (E_RNA)
where:
Base-Base interactions energy: -279.200
where: short stacking energy: -117.574
Base-Backbone interact. energy: -0.041
local terms energy: -114.768174
where:
bonds (distance) C4'-P energy: -25.799
bonds (distance) P-C4' energy: -24.412
flat angles C4'-P-C4' energy: -29.602
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -23.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -327.881756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.881756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.881756 (E_RNA)
where:
Base-Base interactions energy: -231.608
where: short stacking energy: -93.648
Base-Backbone interact. energy: -0.261
local terms energy: -96.012906
where:
bonds (distance) C4'-P energy: -18.395
bonds (distance) P-C4' energy: -21.305
flat angles C4'-P-C4' energy: -22.349
flat angles P-C4'-P energy: -14.041
tors. eta vs tors. theta energy: -19.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -223.731525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.731525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.731525 (E_RNA)
where:
Base-Base interactions energy: -125.489
where: short stacking energy: -56.561
Base-Backbone interact. energy: 0.400
local terms energy: -98.642392
where:
bonds (distance) C4'-P energy: -25.990
bonds (distance) P-C4' energy: -24.662
flat angles C4'-P-C4' energy: -24.819
flat angles P-C4'-P energy: -18.200
tors. eta vs tors. theta energy: -4.972
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: 10
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -211.143147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.143147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.143147 (E_RNA)
where:
Base-Base interactions energy: -112.242
where: short stacking energy: -71.924
Base-Backbone interact. energy: 0.488
local terms energy: -99.389586
where:
bonds (distance) C4'-P energy: -21.909
bonds (distance) P-C4' energy: -26.168
flat angles C4'-P-C4' energy: -26.705
flat angles P-C4'-P energy: -20.808
tors. eta vs tors. theta energy: -3.800
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: 6
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -533.126202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.126202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.126202 (E_RNA)
where:
Base-Base interactions energy: -373.592
where: short stacking energy: -151.805
Base-Backbone interact. energy: -0.321
local terms energy: -159.213009
where:
bonds (distance) C4'-P energy: -27.324
bonds (distance) P-C4' energy: -26.457
flat angles C4'-P-C4' energy: -31.575
flat angles P-C4'-P energy: -26.332
tors. eta vs tors. theta energy: -47.525
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: 7
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -530.561282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.561282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.561282 (E_RNA)
where:
Base-Base interactions energy: -372.912
where: short stacking energy: -154.175
Base-Backbone interact. energy: -0.011
local terms energy: -157.638679
where:
bonds (distance) C4'-P energy: -26.990
bonds (distance) P-C4' energy: -29.229
flat angles C4'-P-C4' energy: -34.723
flat angles P-C4'-P energy: -19.972
tors. eta vs tors. theta energy: -46.724
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: 3, replica: 8
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -521.819949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.819949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.819949 (E_RNA)
where:
Base-Base interactions energy: -368.601
where: short stacking energy: -145.639
Base-Backbone interact. energy: -1.673
local terms energy: -151.545790
where:
bonds (distance) C4'-P energy: -24.214
bonds (distance) P-C4' energy: -26.690
flat angles C4'-P-C4' energy: -33.250
flat angles P-C4'-P energy: -22.822
tors. eta vs tors. theta energy: -44.570
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: 226
Temperature: 1.050000
Total energy: -455.075003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.075003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.075003 (E_RNA)
where:
Base-Base interactions energy: -312.376
where: short stacking energy: -143.412
Base-Backbone interact. energy: -1.077
local terms energy: -141.622178
where:
bonds (distance) C4'-P energy: -27.315
bonds (distance) P-C4' energy: -27.195
flat angles C4'-P-C4' energy: -30.088
flat angles P-C4'-P energy: -18.726
tors. eta vs tors. theta energy: -38.298
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: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -440.875022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.875022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.875022 (E_RNA)
where:
Base-Base interactions energy: -307.162
where: short stacking energy: -135.534
Base-Backbone interact. energy: -0.275
local terms energy: -133.438484
where:
bonds (distance) C4'-P energy: -27.647
bonds (distance) P-C4' energy: -24.440
flat angles C4'-P-C4' energy: -25.144
flat angles P-C4'-P energy: -17.567
tors. eta vs tors. theta energy: -38.641
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: 6, replica: 2
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -455.167901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.167901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.167901 (E_RNA)
where:
Base-Base interactions energy: -308.214
where: short stacking energy: -135.437
Base-Backbone interact. energy: -1.826
local terms energy: -145.128040
where:
bonds (distance) C4'-P energy: -21.673
bonds (distance) P-C4' energy: -28.615
flat angles C4'-P-C4' energy: -28.122
flat angles P-C4'-P energy: -25.569
tors. eta vs tors. theta energy: -41.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -389.323855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.323855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.323855 (E_RNA)
where:
Base-Base interactions energy: -273.044
where: short stacking energy: -116.711
Base-Backbone interact. energy: -0.582
local terms energy: -115.697658
where:
bonds (distance) C4'-P energy: -26.835
bonds (distance) P-C4' energy: -10.004
flat angles C4'-P-C4' energy: -29.207
flat angles P-C4'-P energy: -19.488
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: 8, replica: 4
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -353.526818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.526818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.526818 (E_RNA)
where:
Base-Base interactions energy: -241.138
where: short stacking energy: -90.498
Base-Backbone interact. energy: 0.049
local terms energy: -112.437341
where:
bonds (distance) C4'-P energy: -21.360
bonds (distance) P-C4' energy: -28.817
flat angles C4'-P-C4' energy: -26.559
flat angles P-C4'-P energy: -17.270
tors. eta vs tors. theta energy: -18.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -207.586045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.586045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.586045 (E_RNA)
where:
Base-Base interactions energy: -113.560
where: short stacking energy: -55.338
Base-Backbone interact. energy: -0.544
local terms energy: -93.482396
where:
bonds (distance) C4'-P energy: -19.001
bonds (distance) P-C4' energy: -30.028
flat angles C4'-P-C4' energy: -24.780
flat angles P-C4'-P energy: -17.368
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: 10, replica: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -234.254081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.254081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.254081 (E_RNA)
where:
Base-Base interactions energy: -145.666
where: short stacking energy: -72.122
Base-Backbone interact. energy: 1.764
local terms energy: -90.352841
where:
bonds (distance) C4'-P energy: -25.039
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -22.658
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -17.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -527.826560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.826560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.826560 (E_RNA)
where:
Base-Base interactions energy: -373.115
where: short stacking energy: -158.761
Base-Backbone interact. energy: -1.251
local terms energy: -153.460883
where:
bonds (distance) C4'-P energy: -27.777
bonds (distance) P-C4' energy: -24.819
flat angles C4'-P-C4' energy: -31.488
flat angles P-C4'-P energy: -23.586
tors. eta vs tors. theta energy: -45.791
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: 7
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -538.544108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.544108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.544108 (E_RNA)
where:
Base-Base interactions energy: -377.892
where: short stacking energy: -162.450
Base-Backbone interact. energy: 1.627
local terms energy: -162.278941
where:
bonds (distance) C4'-P energy: -31.957
bonds (distance) P-C4' energy: -27.301
flat angles C4'-P-C4' energy: -30.869
flat angles P-C4'-P energy: -25.312
tors. eta vs tors. theta energy: -46.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -528.691584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.691584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.691584 (E_RNA)
where:
Base-Base interactions energy: -377.869
where: short stacking energy: -155.164
Base-Backbone interact. energy: -0.391
local terms energy: -150.431571
where:
bonds (distance) C4'-P energy: -27.344
bonds (distance) P-C4' energy: -26.617
flat angles C4'-P-C4' energy: -29.353
flat angles P-C4'-P energy: -23.007
tors. eta vs tors. theta energy: -44.111
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: 3
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -450.492381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.492381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.492381 (E_RNA)
where:
Base-Base interactions energy: -312.638
where: short stacking energy: -134.524
Base-Backbone interact. energy: -1.003
local terms energy: -136.851385
where:
bonds (distance) C4'-P energy: -28.933
bonds (distance) P-C4' energy: -23.900
flat angles C4'-P-C4' energy: -29.735
flat angles P-C4'-P energy: -19.326
tors. eta vs tors. theta energy: -34.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -444.897813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.897813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.897813 (E_RNA)
where:
Base-Base interactions energy: -303.871
where: short stacking energy: -132.622
Base-Backbone interact. energy: -0.286
local terms energy: -140.740768
where:
bonds (distance) C4'-P energy: -22.462
bonds (distance) P-C4' energy: -32.834
flat angles C4'-P-C4' energy: -32.087
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -40.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -418.408070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.408070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.408070 (E_RNA)
where:
Base-Base interactions energy: -285.516
where: short stacking energy: -129.508
Base-Backbone interact. energy: -0.011
local terms energy: -132.881652
where:
bonds (distance) C4'-P energy: -24.285
bonds (distance) P-C4' energy: -26.554
flat angles C4'-P-C4' energy: -29.016
flat angles P-C4'-P energy: -16.074
tors. eta vs tors. theta energy: -36.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -403.793350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.793350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.793350 (E_RNA)
where:
Base-Base interactions energy: -277.597
where: short stacking energy: -122.886
Base-Backbone interact. energy: -0.540
local terms energy: -125.656768
where:
bonds (distance) C4'-P energy: -23.996
bonds (distance) P-C4' energy: -30.810
flat angles C4'-P-C4' energy: -22.660
flat angles P-C4'-P energy: -18.153
tors. eta vs tors. theta energy: -30.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -329.026967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.026967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.026967 (E_RNA)
where:
Base-Base interactions energy: -226.997
where: short stacking energy: -81.273
Base-Backbone interact. energy: 0.492
local terms energy: -102.522481
where:
bonds (distance) C4'-P energy: -24.925
bonds (distance) P-C4' energy: -28.486
flat angles C4'-P-C4' energy: -21.773
flat angles P-C4'-P energy: -16.692
tors. eta vs tors. theta energy: -10.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -202.182690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.182690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.182690 (E_RNA)
where:
Base-Base interactions energy: -117.952
where: short stacking energy: -47.989
Base-Backbone interact. energy: -0.489
local terms energy: -83.741200
where:
bonds (distance) C4'-P energy: -21.292
bonds (distance) P-C4' energy: -22.116
flat angles C4'-P-C4' energy: -22.530
flat angles P-C4'-P energy: -17.099
tors. eta vs tors. theta energy: -0.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -228.225516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.225516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.225516 (E_RNA)
where:
Base-Base interactions energy: -147.513
where: short stacking energy: -75.404
Base-Backbone interact. energy: -0.328
local terms energy: -80.385179
where:
bonds (distance) C4'-P energy: -24.708
bonds (distance) P-C4' energy: -18.681
flat angles C4'-P-C4' energy: -20.458
flat angles P-C4'-P energy: -5.294
tors. eta vs tors. theta energy: -11.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -532.933329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.933329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.933329 (E_RNA)
where:
Base-Base interactions energy: -370.964
where: short stacking energy: -146.964
Base-Backbone interact. energy: -0.173
local terms energy: -161.795996
where:
bonds (distance) C4'-P energy: -28.247
bonds (distance) P-C4' energy: -31.467
flat angles C4'-P-C4' energy: -29.217
flat angles P-C4'-P energy: -29.515
tors. eta vs tors. theta energy: -43.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -526.783308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.783308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.783308 (E_RNA)
where:
Base-Base interactions energy: -368.827
where: short stacking energy: -156.228
Base-Backbone interact. energy: -0.149
local terms energy: -157.807025
where:
bonds (distance) C4'-P energy: -28.428
bonds (distance) P-C4' energy: -29.384
flat angles C4'-P-C4' energy: -30.069
flat angles P-C4'-P energy: -20.795
tors. eta vs tors. theta energy: -49.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -512.694076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.694076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.694076 (E_RNA)
where:
Base-Base interactions energy: -363.637
where: short stacking energy: -148.563
Base-Backbone interact. energy: -0.292
local terms energy: -148.765189
where:
bonds (distance) C4'-P energy: -27.190
bonds (distance) P-C4' energy: -30.393
flat angles C4'-P-C4' energy: -30.677
flat angles P-C4'-P energy: -19.719
tors. eta vs tors. theta energy: -40.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -478.989900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.989900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.989900 (E_RNA)
where:
Base-Base interactions energy: -341.686
where: short stacking energy: -132.053
Base-Backbone interact. energy: 0.271
local terms energy: -137.575132
where:
bonds (distance) C4'-P energy: -24.266
bonds (distance) P-C4' energy: -27.692
flat angles C4'-P-C4' energy: -28.423
flat angles P-C4'-P energy: -18.154
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: 5, replica: 2
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -440.743815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.743815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.743815 (E_RNA)
where:
Base-Base interactions energy: -306.701
where: short stacking energy: -134.180
Base-Backbone interact. energy: -0.093
local terms energy: -133.949602
where:
bonds (distance) C4'-P energy: -28.739
bonds (distance) P-C4' energy: -23.947
flat angles C4'-P-C4' energy: -28.659
flat angles P-C4'-P energy: -18.295
tors. eta vs tors. theta energy: -34.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -421.934059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.934059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.934059 (E_RNA)
where:
Base-Base interactions energy: -290.007
where: short stacking energy: -117.847
Base-Backbone interact. energy: -0.354
local terms energy: -131.573472
where:
bonds (distance) C4'-P energy: -26.709
bonds (distance) P-C4' energy: -23.176
flat angles C4'-P-C4' energy: -29.886
flat angles P-C4'-P energy: -21.391
tors. eta vs tors. theta energy: -30.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -388.785368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.785368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.785368 (E_RNA)
where:
Base-Base interactions energy: -279.114
where: short stacking energy: -115.848
Base-Backbone interact. energy: -0.519
local terms energy: -109.152182
where:
bonds (distance) C4'-P energy: -22.539
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -26.530
flat angles P-C4'-P energy: -19.751
tors. eta vs tors. theta energy: -28.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -311.312017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.312017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.312017 (E_RNA)
where:
Base-Base interactions energy: -195.817
where: short stacking energy: -72.079
Base-Backbone interact. energy: -0.359
local terms energy: -115.135450
where:
bonds (distance) C4'-P energy: -25.300
bonds (distance) P-C4' energy: -28.429
flat angles C4'-P-C4' energy: -26.105
flat angles P-C4'-P energy: -22.305
tors. eta vs tors. theta energy: -12.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -219.076694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.076694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.076694 (E_RNA)
where:
Base-Base interactions energy: -107.705
where: short stacking energy: -60.113
Base-Backbone interact. energy: 0.632
local terms energy: -112.003577
where:
bonds (distance) C4'-P energy: -27.814
bonds (distance) P-C4' energy: -27.712
flat angles C4'-P-C4' energy: -26.553
flat angles P-C4'-P energy: -14.114
tors. eta vs tors. theta energy: -15.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -198.437977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.437977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.437977 (E_RNA)
where:
Base-Base interactions energy: -104.794
where: short stacking energy: -59.725
Base-Backbone interact. energy: -0.760
local terms energy: -92.883844
where:
bonds (distance) C4'-P energy: -25.642
bonds (distance) P-C4' energy: -26.378
flat angles C4'-P-C4' energy: -23.726
flat angles P-C4'-P energy: -18.031
tors. eta vs tors. theta energy: 0.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -534.483655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.483655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.483655 (E_RNA)
where:
Base-Base interactions energy: -378.341
where: short stacking energy: -155.470
Base-Backbone interact. energy: -0.417
local terms energy: -155.725885
where:
bonds (distance) C4'-P energy: -32.792
bonds (distance) P-C4' energy: -28.242
flat angles C4'-P-C4' energy: -29.552
flat angles P-C4'-P energy: -17.005
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: 2, replica: 6
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -526.391610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.391610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.391610 (E_RNA)
where:
Base-Base interactions energy: -375.180
where: short stacking energy: -151.389
Base-Backbone interact. energy: -0.141
local terms energy: -151.069982
where:
bonds (distance) C4'-P energy: -24.495
bonds (distance) P-C4' energy: -27.552
flat angles C4'-P-C4' energy: -30.363
flat angles P-C4'-P energy: -23.664
tors. eta vs tors. theta energy: -44.996
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: 8
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -516.915715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.915715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.915715 (E_RNA)
where:
Base-Base interactions energy: -358.762
where: short stacking energy: -150.910
Base-Backbone interact. energy: -0.127
local terms energy: -158.026759
where:
bonds (distance) C4'-P energy: -30.828
bonds (distance) P-C4' energy: -29.215
flat angles C4'-P-C4' energy: -30.700
flat angles P-C4'-P energy: -19.337
tors. eta vs tors. theta energy: -47.945
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: 3
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -466.139876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.139876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.139876 (E_RNA)
where:
Base-Base interactions energy: -324.344
where: short stacking energy: -145.994
Base-Backbone interact. energy: -0.831
local terms energy: -140.965084
where:
bonds (distance) C4'-P energy: -28.319
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -28.427
flat angles P-C4'-P energy: -19.894
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: 5, replica: 2
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -420.311918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.311918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.311918 (E_RNA)
where:
Base-Base interactions energy: -293.130
where: short stacking energy: -133.132
Base-Backbone interact. energy: 0.848
local terms energy: -128.029470
where:
bonds (distance) C4'-P energy: -22.613
bonds (distance) P-C4' energy: -21.987
flat angles C4'-P-C4' energy: -28.823
flat angles P-C4'-P energy: -17.769
tors. eta vs tors. theta energy: -36.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -432.734821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.734821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.734821 (E_RNA)
where:
Base-Base interactions energy: -303.014
where: short stacking energy: -138.056
Base-Backbone interact. energy: -0.730
local terms energy: -128.991008
where:
bonds (distance) C4'-P energy: -23.568
bonds (distance) P-C4' energy: -24.310
flat angles C4'-P-C4' energy: -29.828
flat angles P-C4'-P energy: -14.527
tors. eta vs tors. theta energy: -36.758
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: 229
Temperature: 1.200000
Total energy: -384.508213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.508213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.508213 (E_RNA)
where:
Base-Base interactions energy: -257.674
where: short stacking energy: -108.413
Base-Backbone interact. energy: -0.243
local terms energy: -126.590613
where:
bonds (distance) C4'-P energy: -25.504
bonds (distance) P-C4' energy: -30.239
flat angles C4'-P-C4' energy: -27.919
flat angles P-C4'-P energy: -18.049
tors. eta vs tors. theta energy: -24.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -327.503211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.503211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.503211 (E_RNA)
where:
Base-Base interactions energy: -213.263
where: short stacking energy: -93.151
Base-Backbone interact. energy: -0.789
local terms energy: -113.450856
where:
bonds (distance) C4'-P energy: -30.499
bonds (distance) P-C4' energy: -31.742
flat angles C4'-P-C4' energy: -24.582
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -13.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -223.451854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.451854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.451854 (E_RNA)
where:
Base-Base interactions energy: -120.327
where: short stacking energy: -64.355
Base-Backbone interact. energy: -0.200
local terms energy: -102.925236
where:
bonds (distance) C4'-P energy: -27.760
bonds (distance) P-C4' energy: -23.391
flat angles C4'-P-C4' energy: -20.227
flat angles P-C4'-P energy: -15.134
tors. eta vs tors. theta energy: -16.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -191.477527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.477527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.477527 (E_RNA)
where:
Base-Base interactions energy: -115.585
where: short stacking energy: -67.065
Base-Backbone interact. energy: 2.882
local terms energy: -78.773970
where:
bonds (distance) C4'-P energy: -23.097
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -10.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -530.128909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.128909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.128909 (E_RNA)
where:
Base-Base interactions energy: -380.936
where: short stacking energy: -161.418
Base-Backbone interact. energy: -0.116
local terms energy: -149.077535
where:
bonds (distance) C4'-P energy: -23.373
bonds (distance) P-C4' energy: -25.374
flat angles C4'-P-C4' energy: -31.483
flat angles P-C4'-P energy: -19.911
tors. eta vs tors. theta energy: -48.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -535.800786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.800786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.800786 (E_RNA)
where:
Base-Base interactions energy: -374.027
where: short stacking energy: -163.609
Base-Backbone interact. energy: -0.589
local terms energy: -161.184784
where:
bonds (distance) C4'-P energy: -29.136
bonds (distance) P-C4' energy: -29.040
flat angles C4'-P-C4' energy: -31.584
flat angles P-C4'-P energy: -23.924
tors. eta vs tors. theta energy: -47.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -487.739612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.739612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.739612 (E_RNA)
where:
Base-Base interactions energy: -341.777
where: short stacking energy: -124.562
Base-Backbone interact. energy: -0.813
local terms energy: -145.150019
where:
bonds (distance) C4'-P energy: -20.915
bonds (distance) P-C4' energy: -29.904
flat angles C4'-P-C4' energy: -33.594
flat angles P-C4'-P energy: -18.770
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: 4, replica: 8
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -506.910480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.910480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.910480 (E_RNA)
where:
Base-Base interactions energy: -363.460
where: short stacking energy: -152.303
Base-Backbone interact. energy: -0.335
local terms energy: -143.115736
where:
bonds (distance) C4'-P energy: -21.821
bonds (distance) P-C4' energy: -25.234
flat angles C4'-P-C4' energy: -28.652
flat angles P-C4'-P energy: -22.712
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: 5, replica: 9
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -430.660086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.660086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.660086 (E_RNA)
where:
Base-Base interactions energy: -303.998
where: short stacking energy: -129.604
Base-Backbone interact. energy: 0.379
local terms energy: -127.041005
where:
bonds (distance) C4'-P energy: -20.968
bonds (distance) P-C4' energy: -25.286
flat angles C4'-P-C4' energy: -30.413
flat angles P-C4'-P energy: -14.661
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: 6, replica: 2
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -398.131979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.131979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.131979 (E_RNA)
where:
Base-Base interactions energy: -272.636
where: short stacking energy: -111.630
Base-Backbone interact. energy: -0.339
local terms energy: -125.156906
where:
bonds (distance) C4'-P energy: -22.140
bonds (distance) P-C4' energy: -25.022
flat angles C4'-P-C4' energy: -27.064
flat angles P-C4'-P energy: -19.422
tors. eta vs tors. theta energy: -31.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -376.818190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.818190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.818190 (E_RNA)
where:
Base-Base interactions energy: -262.657
where: short stacking energy: -117.186
Base-Backbone interact. energy: -0.328
local terms energy: -113.833569
where:
bonds (distance) C4'-P energy: -24.729
bonds (distance) P-C4' energy: -22.941
flat angles C4'-P-C4' energy: -24.928
flat angles P-C4'-P energy: -13.292
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: 8, replica: 4
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -314.308007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.308007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.308007 (E_RNA)
where:
Base-Base interactions energy: -221.558
where: short stacking energy: -101.693
Base-Backbone interact. energy: -0.023
local terms energy: -92.727335
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -23.421
flat angles C4'-P-C4' energy: -24.020
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -21.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -205.317456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.317456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.317456 (E_RNA)
where:
Base-Base interactions energy: -110.160
where: short stacking energy: -74.639
Base-Backbone interact. energy: 0.828
local terms energy: -95.986167
where:
bonds (distance) C4'-P energy: -20.069
bonds (distance) P-C4' energy: -24.414
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -18.149
tors. eta vs tors. theta energy: -14.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -187.964672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.964672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.964672 (E_RNA)
where:
Base-Base interactions energy: -102.276
where: short stacking energy: -58.256
Base-Backbone interact. energy: 0.453
local terms energy: -86.141857
where:
bonds (distance) C4'-P energy: -22.294
bonds (distance) P-C4' energy: -26.249
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -15.060
tors. eta vs tors. theta energy: -1.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -528.523228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.523228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.523228 (E_RNA)
where:
Base-Base interactions energy: -375.307
where: short stacking energy: -157.307
Base-Backbone interact. energy: -0.243
local terms energy: -152.973019
where:
bonds (distance) C4'-P energy: -28.090
bonds (distance) P-C4' energy: -26.834
flat angles C4'-P-C4' energy: -30.782
flat angles P-C4'-P energy: -21.070
tors. eta vs tors. theta energy: -46.198
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: 7
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -520.881725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.881725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.881725 (E_RNA)
where:
Base-Base interactions energy: -370.516
where: short stacking energy: -155.055
Base-Backbone interact. energy: -0.329
local terms energy: -150.036207
where:
bonds (distance) C4'-P energy: -21.519
bonds (distance) P-C4' energy: -29.950
flat angles C4'-P-C4' energy: -32.290
flat angles P-C4'-P energy: -22.054
tors. eta vs tors. theta energy: -44.224
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: 3
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -467.902992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.902992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.902992 (E_RNA)
where:
Base-Base interactions energy: -323.925
where: short stacking energy: -136.366
Base-Backbone interact. energy: 0.799
local terms energy: -144.777373
where:
bonds (distance) C4'-P energy: -30.341
bonds (distance) P-C4' energy: -26.900
flat angles C4'-P-C4' energy: -32.516
flat angles P-C4'-P energy: -19.210
tors. eta vs tors. theta energy: -35.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -507.985387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.985387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.985387 (E_RNA)
where:
Base-Base interactions energy: -357.084
where: short stacking energy: -157.901
Base-Backbone interact. energy: -0.001
local terms energy: -150.900287
where:
bonds (distance) C4'-P energy: -32.213
bonds (distance) P-C4' energy: -26.580
flat angles C4'-P-C4' energy: -27.285
flat angles P-C4'-P energy: -17.799
tors. eta vs tors. theta energy: -47.023
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: 5, replica: 9
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -446.847878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.847878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.847878 (E_RNA)
where:
Base-Base interactions energy: -310.687
where: short stacking energy: -130.274
Base-Backbone interact. energy: -0.465
local terms energy: -135.696527
where:
bonds (distance) C4'-P energy: -26.673
bonds (distance) P-C4' energy: -23.839
flat angles C4'-P-C4' energy: -28.348
flat angles P-C4'-P energy: -23.067
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: 6, replica: 2
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -417.223798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.223798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.223798 (E_RNA)
where:
Base-Base interactions energy: -283.581
where: short stacking energy: -123.189
Base-Backbone interact. energy: 0.030
local terms energy: -133.672902
where:
bonds (distance) C4'-P energy: -23.153
bonds (distance) P-C4' energy: -28.796
flat angles C4'-P-C4' energy: -27.725
flat angles P-C4'-P energy: -22.803
tors. eta vs tors. theta energy: -31.195
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: 1
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -415.218222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.218222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.218222 (E_RNA)
where:
Base-Base interactions energy: -290.922
where: short stacking energy: -129.487
Base-Backbone interact. energy: 1.330
local terms energy: -125.626218
where:
bonds (distance) C4'-P energy: -20.546
bonds (distance) P-C4' energy: -26.409
flat angles C4'-P-C4' energy: -27.485
flat angles P-C4'-P energy: -17.018
tors. eta vs tors. theta energy: -34.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -309.662135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.662135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.662135 (E_RNA)
where:
Base-Base interactions energy: -197.486
where: short stacking energy: -94.319
Base-Backbone interact. energy: -0.179
local terms energy: -111.996397
where:
bonds (distance) C4'-P energy: -22.708
bonds (distance) P-C4' energy: -23.371
flat angles C4'-P-C4' energy: -26.466
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: -24.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -204.490698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.490698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.490698 (E_RNA)
where:
Base-Base interactions energy: -108.695
where: short stacking energy: -52.566
Base-Backbone interact. energy: -0.160
local terms energy: -95.635256
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -23.413
flat angles C4'-P-C4' energy: -28.979
flat angles P-C4'-P energy: -14.548
tors. eta vs tors. theta energy: -12.276
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: 5
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -217.039746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.039746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.039746 (E_RNA)
where:
Base-Base interactions energy: -124.332
where: short stacking energy: -76.205
Base-Backbone interact. energy: -0.313
local terms energy: -92.394736
where:
bonds (distance) C4'-P energy: -21.966
bonds (distance) P-C4' energy: -26.034
flat angles C4'-P-C4' energy: -21.233
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -11.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -534.703012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.703012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.703012 (E_RNA)
where:
Base-Base interactions energy: -368.982
where: short stacking energy: -158.659
Base-Backbone interact. energy: -0.200
local terms energy: -165.520629
where:
bonds (distance) C4'-P energy: -29.973
bonds (distance) P-C4' energy: -32.714
flat angles C4'-P-C4' energy: -27.777
flat angles P-C4'-P energy: -26.369
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: 7
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -527.305962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.305962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.305962 (E_RNA)
where:
Base-Base interactions energy: -382.315
where: short stacking energy: -146.335
Base-Backbone interact. energy: -0.393
local terms energy: -144.597969
where:
bonds (distance) C4'-P energy: -35.731
bonds (distance) P-C4' energy: -24.697
flat angles C4'-P-C4' energy: -25.010
flat angles P-C4'-P energy: -20.081
tors. eta vs tors. theta energy: -39.079
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: 3, replica: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -520.297200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.297200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.297200 (E_RNA)
where:
Base-Base interactions energy: -361.852
where: short stacking energy: -151.217
Base-Backbone interact. energy: -0.171
local terms energy: -158.274473
where:
bonds (distance) C4'-P energy: -22.680
bonds (distance) P-C4' energy: -29.124
flat angles C4'-P-C4' energy: -35.279
flat angles P-C4'-P energy: -23.180
tors. eta vs tors. theta energy: -48.012
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: 3
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -471.307727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.307727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.307727 (E_RNA)
where:
Base-Base interactions energy: -326.590
where: short stacking energy: -140.771
Base-Backbone interact. energy: -0.017
local terms energy: -144.700717
where:
bonds (distance) C4'-P energy: -18.279
bonds (distance) P-C4' energy: -31.786
flat angles C4'-P-C4' energy: -29.031
flat angles P-C4'-P energy: -22.557
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: 5, replica: 2
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -450.122133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.122133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.122133 (E_RNA)
where:
Base-Base interactions energy: -304.420
where: short stacking energy: -127.184
Base-Backbone interact. energy: -1.849
local terms energy: -143.853625
where:
bonds (distance) C4'-P energy: -30.068
bonds (distance) P-C4' energy: -25.439
flat angles C4'-P-C4' energy: -27.614
flat angles P-C4'-P energy: -24.019
tors. eta vs tors. theta energy: -36.713
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: 9
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -425.088259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.088259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.088259 (E_RNA)
where:
Base-Base interactions energy: -293.891
where: short stacking energy: -124.854
Base-Backbone interact. energy: -1.792
local terms energy: -129.405791
where:
bonds (distance) C4'-P energy: -24.636
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -32.699
flat angles P-C4'-P energy: -17.837
tors. eta vs tors. theta energy: -31.405
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: 232
Temperature: 1.200000
Total energy: -401.210604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.210604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.210604 (E_RNA)
where:
Base-Base interactions energy: -282.663
where: short stacking energy: -123.680
Base-Backbone interact. energy: 1.278
local terms energy: -119.825862
where:
bonds (distance) C4'-P energy: -23.180
bonds (distance) P-C4' energy: -27.079
flat angles C4'-P-C4' energy: -24.938
flat angles P-C4'-P energy: -17.438
tors. eta vs tors. theta energy: -27.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -315.029184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.029184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.029184 (E_RNA)
where:
Base-Base interactions energy: -201.429
where: short stacking energy: -93.304
Base-Backbone interact. energy: -1.193
local terms energy: -112.407008
where:
bonds (distance) C4'-P energy: -25.778
bonds (distance) P-C4' energy: -24.445
flat angles C4'-P-C4' energy: -30.264
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: -14.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -240.646056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.646056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.646056 (E_RNA)
where:
Base-Base interactions energy: -136.675
where: short stacking energy: -80.680
Base-Backbone interact. energy: -0.859
local terms energy: -103.111676
where:
bonds (distance) C4'-P energy: -27.102
bonds (distance) P-C4' energy: -23.951
flat angles C4'-P-C4' energy: -21.633
flat angles P-C4'-P energy: -17.636
tors. eta vs tors. theta energy: -12.790
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: 10
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -199.895053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.895053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.895053 (E_RNA)
where:
Base-Base interactions energy: -109.099
where: short stacking energy: -58.280
Base-Backbone interact. energy: -0.640
local terms energy: -90.156455
where:
bonds (distance) C4'-P energy: -22.862
bonds (distance) P-C4' energy: -29.238
flat angles C4'-P-C4' energy: -22.136
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -8.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -539.305283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.305283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.305283 (E_RNA)
where:
Base-Base interactions energy: -377.144
where: short stacking energy: -158.810
Base-Backbone interact. energy: -0.015
local terms energy: -162.146746
where:
bonds (distance) C4'-P energy: -27.238
bonds (distance) P-C4' energy: -32.834
flat angles C4'-P-C4' energy: -29.619
flat angles P-C4'-P energy: -21.635
tors. eta vs tors. theta energy: -50.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -523.162655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.162655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.162655 (E_RNA)
where:
Base-Base interactions energy: -367.472
where: short stacking energy: -159.557
Base-Backbone interact. energy: -0.049
local terms energy: -155.642263
where:
bonds (distance) C4'-P energy: -26.794
bonds (distance) P-C4' energy: -25.966
flat angles C4'-P-C4' energy: -32.028
flat angles P-C4'-P energy: -24.360
tors. eta vs tors. theta energy: -46.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -511.307476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.307476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.307476 (E_RNA)
where:
Base-Base interactions energy: -360.273
where: short stacking energy: -145.599
Base-Backbone interact. energy: -0.635
local terms energy: -150.398608
where:
bonds (distance) C4'-P energy: -26.488
bonds (distance) P-C4' energy: -30.580
flat angles C4'-P-C4' energy: -32.297
flat angles P-C4'-P energy: -19.791
tors. eta vs tors. theta energy: -41.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -480.052189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.052189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.052189 (E_RNA)
where:
Base-Base interactions energy: -338.349
where: short stacking energy: -145.758
Base-Backbone interact. energy: -1.347
local terms energy: -140.356242
where:
bonds (distance) C4'-P energy: -18.717
bonds (distance) P-C4' energy: -23.557
flat angles C4'-P-C4' energy: -28.879
flat angles P-C4'-P energy: -26.285
tors. eta vs tors. theta energy: -42.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -428.074806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.074806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.074806 (E_RNA)
where:
Base-Base interactions energy: -301.171
where: short stacking energy: -122.605
Base-Backbone interact. energy: -0.414
local terms energy: -126.489998
where:
bonds (distance) C4'-P energy: -17.767
bonds (distance) P-C4' energy: -26.062
flat angles C4'-P-C4' energy: -24.826
flat angles P-C4'-P energy: -20.509
tors. eta vs tors. theta energy: -37.326
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: 233
Temperature: 1.150000
Total energy: -416.973512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.973512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.973512 (E_RNA)
where:
Base-Base interactions energy: -282.356
where: short stacking energy: -119.182
Base-Backbone interact. energy: -1.479
local terms energy: -133.139210
where:
bonds (distance) C4'-P energy: -25.766
bonds (distance) P-C4' energy: -25.012
flat angles C4'-P-C4' energy: -31.711
flat angles P-C4'-P energy: -19.513
tors. eta vs tors. theta energy: -31.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -397.057942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.057942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.057942 (E_RNA)
where:
Base-Base interactions energy: -268.515
where: short stacking energy: -113.383
Base-Backbone interact. energy: 0.798
local terms energy: -129.340597
where:
bonds (distance) C4'-P energy: -19.751
bonds (distance) P-C4' energy: -25.798
flat angles C4'-P-C4' energy: -29.765
flat angles P-C4'-P energy: -23.896
tors. eta vs tors. theta energy: -30.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -205.981642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.981642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.981642 (E_RNA)
where:
Base-Base interactions energy: -102.430
where: short stacking energy: -51.576
Base-Backbone interact. energy: -0.953
local terms energy: -102.598714
where:
bonds (distance) C4'-P energy: -27.463
bonds (distance) P-C4' energy: -28.267
flat angles C4'-P-C4' energy: -28.892
flat angles P-C4'-P energy: -14.327
tors. eta vs tors. theta energy: -3.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -310.340407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.340407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.340407 (E_RNA)
where:
Base-Base interactions energy: -204.141
where: short stacking energy: -93.934
Base-Backbone interact. energy: -0.591
local terms energy: -105.608457
where:
bonds (distance) C4'-P energy: -23.897
bonds (distance) P-C4' energy: -30.245
flat angles C4'-P-C4' energy: -27.613
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -12.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -208.899965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.899965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.899965 (E_RNA)
where:
Base-Base interactions energy: -120.929
where: short stacking energy: -65.011
Base-Backbone interact. energy: -0.744
local terms energy: -87.226807
where:
bonds (distance) C4'-P energy: -20.946
bonds (distance) P-C4' energy: -25.629
flat angles C4'-P-C4' energy: -24.559
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: -2.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -533.882238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.882238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.882238 (E_RNA)
where:
Base-Base interactions energy: -373.961
where: short stacking energy: -160.027
Base-Backbone interact. energy: -0.796
local terms energy: -159.125875
where:
bonds (distance) C4'-P energy: -26.637
bonds (distance) P-C4' energy: -31.574
flat angles C4'-P-C4' energy: -31.291
flat angles P-C4'-P energy: -20.842
tors. eta vs tors. theta energy: -48.783
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: 8
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -525.760324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.760324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.760324 (E_RNA)
where:
Base-Base interactions energy: -381.937
where: short stacking energy: -151.533
Base-Backbone interact. energy: 0.753
local terms energy: -144.576463
where:
bonds (distance) C4'-P energy: -20.778
bonds (distance) P-C4' energy: -28.760
flat angles C4'-P-C4' energy: -32.345
flat angles P-C4'-P energy: -19.415
tors. eta vs tors. theta energy: -43.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -478.068724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.068724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.068724 (E_RNA)
where:
Base-Base interactions energy: -337.610
where: short stacking energy: -135.247
Base-Backbone interact. energy: -0.451
local terms energy: -140.007479
where:
bonds (distance) C4'-P energy: -26.773
bonds (distance) P-C4' energy: -22.707
flat angles C4'-P-C4' energy: -30.429
flat angles P-C4'-P energy: -20.843
tors. eta vs tors. theta energy: -39.255
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: 7
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -502.546133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.546133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.546133 (E_RNA)
where:
Base-Base interactions energy: -353.821
where: short stacking energy: -147.921
Base-Backbone interact. energy: -0.401
local terms energy: -148.324013
where:
bonds (distance) C4'-P energy: -25.089
bonds (distance) P-C4' energy: -26.666
flat angles C4'-P-C4' energy: -32.049
flat angles P-C4'-P energy: -22.740
tors. eta vs tors. theta energy: -41.780
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: 9
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -428.507157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.507157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.507157 (E_RNA)
where:
Base-Base interactions energy: -291.402
where: short stacking energy: -124.299
Base-Backbone interact. energy: -0.196
local terms energy: -136.909541
where:
bonds (distance) C4'-P energy: -26.765
bonds (distance) P-C4' energy: -28.483
flat angles C4'-P-C4' energy: -27.114
flat angles P-C4'-P energy: -20.013
tors. eta vs tors. theta energy: -34.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -404.765024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.765024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.765024 (E_RNA)
where:
Base-Base interactions energy: -265.724
where: short stacking energy: -114.105
Base-Backbone interact. energy: -0.449
local terms energy: -138.592366
where:
bonds (distance) C4'-P energy: -27.541
bonds (distance) P-C4' energy: -28.046
flat angles C4'-P-C4' energy: -23.676
flat angles P-C4'-P energy: -20.636
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: 234
Temperature: 1.200000
Total energy: -400.158148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.158148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.158148 (E_RNA)
where:
Base-Base interactions energy: -270.533
where: short stacking energy: -121.914
Base-Backbone interact. energy: -0.186
local terms energy: -129.439690
where:
bonds (distance) C4'-P energy: -28.265
bonds (distance) P-C4' energy: -26.167
flat angles C4'-P-C4' energy: -29.207
flat angles P-C4'-P energy: -16.365
tors. eta vs tors. theta energy: -29.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -209.486196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.486196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.486196 (E_RNA)
where:
Base-Base interactions energy: -113.243
where: short stacking energy: -71.678
Base-Backbone interact. energy: -0.142
local terms energy: -96.101384
where:
bonds (distance) C4'-P energy: -18.907
bonds (distance) P-C4' energy: -28.904
flat angles C4'-P-C4' energy: -25.719
flat angles P-C4'-P energy: -6.366
tors. eta vs tors. theta energy: -16.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -318.881191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.881191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.881191 (E_RNA)
where:
Base-Base interactions energy: -215.451
where: short stacking energy: -85.661
Base-Backbone interact. energy: -0.203
local terms energy: -103.226892
where:
bonds (distance) C4'-P energy: -27.946
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -19.675
flat angles P-C4'-P energy: -18.586
tors. eta vs tors. theta energy: -22.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -205.737277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.737277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.737277 (E_RNA)
where:
Base-Base interactions energy: -112.935
where: short stacking energy: -65.041
Base-Backbone interact. energy: -0.074
local terms energy: -92.728899
where:
bonds (distance) C4'-P energy: -22.009
bonds (distance) P-C4' energy: -26.548
flat angles C4'-P-C4' energy: -25.247
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -6.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -536.962605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.962605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.962605 (E_RNA)
where:
Base-Base interactions energy: -387.131
where: short stacking energy: -151.484
Base-Backbone interact. energy: -0.016
local terms energy: -149.815911
where:
bonds (distance) C4'-P energy: -26.107
bonds (distance) P-C4' energy: -24.536
flat angles C4'-P-C4' energy: -32.202
flat angles P-C4'-P energy: -20.337
tors. eta vs tors. theta energy: -46.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -527.589749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.589749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.589749 (E_RNA)
where:
Base-Base interactions energy: -370.695
where: short stacking energy: -157.559
Base-Backbone interact. energy: 0.258
local terms energy: -157.152830
where:
bonds (distance) C4'-P energy: -24.808
bonds (distance) P-C4' energy: -27.304
flat angles C4'-P-C4' energy: -31.198
flat angles P-C4'-P energy: -24.479
tors. eta vs tors. theta energy: -49.365
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: 3
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -476.846250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.846250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.846250 (E_RNA)
where:
Base-Base interactions energy: -336.458
where: short stacking energy: -146.134
Base-Backbone interact. energy: -0.005
local terms energy: -140.383269
where:
bonds (distance) C4'-P energy: -27.993
bonds (distance) P-C4' energy: -26.119
flat angles C4'-P-C4' energy: -29.391
flat angles P-C4'-P energy: -20.555
tors. eta vs tors. theta energy: -36.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -514.171115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.171115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.171115 (E_RNA)
where:
Base-Base interactions energy: -365.655
where: short stacking energy: -148.345
Base-Backbone interact. energy: -0.162
local terms energy: -148.354241
where:
bonds (distance) C4'-P energy: -28.138
bonds (distance) P-C4' energy: -28.019
flat angles C4'-P-C4' energy: -31.101
flat angles P-C4'-P energy: -20.792
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: 5, replica: 9
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -425.776200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.776200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.776200 (E_RNA)
where:
Base-Base interactions energy: -297.974
where: short stacking energy: -130.443
Base-Backbone interact. energy: -0.399
local terms energy: -127.403189
where:
bonds (distance) C4'-P energy: -19.091
bonds (distance) P-C4' energy: -30.933
flat angles C4'-P-C4' energy: -27.047
flat angles P-C4'-P energy: -18.152
tors. eta vs tors. theta energy: -32.181
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: 2
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -423.087489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.087489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.087489 (E_RNA)
where:
Base-Base interactions energy: -294.661
where: short stacking energy: -121.308
Base-Backbone interact. energy: -0.382
local terms energy: -128.045129
where:
bonds (distance) C4'-P energy: -25.462
bonds (distance) P-C4' energy: -21.697
flat angles C4'-P-C4' energy: -26.325
flat angles P-C4'-P energy: -17.309
tors. eta vs tors. theta energy: -37.251
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: 1
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -413.283033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.283033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.283033 (E_RNA)
where:
Base-Base interactions energy: -293.302
where: short stacking energy: -131.955
Base-Backbone interact. energy: -0.037
local terms energy: -119.944113
where:
bonds (distance) C4'-P energy: -25.539
bonds (distance) P-C4' energy: -19.191
flat angles C4'-P-C4' energy: -25.120
flat angles P-C4'-P energy: -16.408
tors. eta vs tors. theta energy: -33.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -315.482090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.482090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.482090 (E_RNA)
where:
Base-Base interactions energy: -209.131
where: short stacking energy: -85.041
Base-Backbone interact. energy: -0.225
local terms energy: -106.126788
where:
bonds (distance) C4'-P energy: -19.161
bonds (distance) P-C4' energy: -21.419
flat angles C4'-P-C4' energy: -28.114
flat angles P-C4'-P energy: -15.525
tors. eta vs tors. theta energy: -21.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -198.628901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.628901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.628901 (E_RNA)
where:
Base-Base interactions energy: -111.226
where: short stacking energy: -67.211
Base-Backbone interact. energy: -0.871
local terms energy: -86.531865
where:
bonds (distance) C4'-P energy: -20.502
bonds (distance) P-C4' energy: -27.458
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: -7.628
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: 10
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -199.668486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.668486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.668486 (E_RNA)
where:
Base-Base interactions energy: -105.468
where: short stacking energy: -61.512
Base-Backbone interact. energy: -0.062
local terms energy: -94.138370
where:
bonds (distance) C4'-P energy: -27.655
bonds (distance) P-C4' energy: -21.182
flat angles C4'-P-C4' energy: -23.579
flat angles P-C4'-P energy: -11.187
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: 1, replica: 8
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -529.292558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.292558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.292558 (E_RNA)
where:
Base-Base interactions energy: -373.190
where: short stacking energy: -143.044
Base-Backbone interact. energy: -1.299
local terms energy: -154.802969
where:
bonds (distance) C4'-P energy: -24.248
bonds (distance) P-C4' energy: -28.817
flat angles C4'-P-C4' energy: -32.621
flat angles P-C4'-P energy: -24.666
tors. eta vs tors. theta energy: -44.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -523.481479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.481479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.481479 (E_RNA)
where:
Base-Base interactions energy: -372.695
where: short stacking energy: -146.178
Base-Backbone interact. energy: -0.067
local terms energy: -150.719409
where:
bonds (distance) C4'-P energy: -25.049
bonds (distance) P-C4' energy: -22.179
flat angles C4'-P-C4' energy: -33.061
flat angles P-C4'-P energy: -25.356
tors. eta vs tors. theta energy: -45.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -511.157751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.157751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.157751 (E_RNA)
where:
Base-Base interactions energy: -359.356
where: short stacking energy: -148.834
Base-Backbone interact. energy: -0.312
local terms energy: -151.490668
where:
bonds (distance) C4'-P energy: -29.517
bonds (distance) P-C4' energy: -27.352
flat angles C4'-P-C4' energy: -30.852
flat angles P-C4'-P energy: -23.838
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: 4, replica: 3
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -467.713828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.713828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.713828 (E_RNA)
where:
Base-Base interactions energy: -338.079
where: short stacking energy: -140.811
Base-Backbone interact. energy: -0.185
local terms energy: -129.449919
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -28.180
flat angles C4'-P-C4' energy: -25.977
flat angles P-C4'-P energy: -14.758
tors. eta vs tors. theta energy: -41.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -447.449205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.449205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.449205 (E_RNA)
where:
Base-Base interactions energy: -304.728
where: short stacking energy: -138.395
Base-Backbone interact. energy: -0.692
local terms energy: -142.029680
where:
bonds (distance) C4'-P energy: -24.397
bonds (distance) P-C4' energy: -24.708
flat angles C4'-P-C4' energy: -32.258
flat angles P-C4'-P energy: -18.921
tors. eta vs tors. theta energy: -41.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -410.728956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.728956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.728956 (E_RNA)
where:
Base-Base interactions energy: -293.169
where: short stacking energy: -114.660
Base-Backbone interact. energy: 1.334
local terms energy: -118.893833
where:
bonds (distance) C4'-P energy: -24.286
bonds (distance) P-C4' energy: -22.802
flat angles C4'-P-C4' energy: -29.656
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -30.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -393.396885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.396885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.396885 (E_RNA)
where:
Base-Base interactions energy: -267.459
where: short stacking energy: -114.787
Base-Backbone interact. energy: -1.001
local terms energy: -124.936653
where:
bonds (distance) C4'-P energy: -24.133
bonds (distance) P-C4' energy: -27.839
flat angles C4'-P-C4' energy: -25.714
flat angles P-C4'-P energy: -14.498
tors. eta vs tors. theta energy: -32.752
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: 4
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -332.144395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.144395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.144395 (E_RNA)
where:
Base-Base interactions energy: -217.620
where: short stacking energy: -94.522
Base-Backbone interact. energy: -0.223
local terms energy: -114.301879
where:
bonds (distance) C4'-P energy: -27.502
bonds (distance) P-C4' energy: -26.222
flat angles C4'-P-C4' energy: -23.499
flat angles P-C4'-P energy: -18.730
tors. eta vs tors. theta energy: -18.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -195.096849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.096849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.096849 (E_RNA)
where:
Base-Base interactions energy: -86.010
where: short stacking energy: -52.424
Base-Backbone interact. energy: 1.090
local terms energy: -110.176802
where:
bonds (distance) C4'-P energy: -29.441
bonds (distance) P-C4' energy: -25.912
flat angles C4'-P-C4' energy: -28.316
flat angles P-C4'-P energy: -15.993
tors. eta vs tors. theta energy: -10.515
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: 10
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -140.445717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.445717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.445717 (E_RNA)
where:
Base-Base interactions energy: -53.392
where: short stacking energy: -41.899
Base-Backbone interact. energy: 0.922
local terms energy: -87.975160
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -30.148
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -18.717
tors. eta vs tors. theta energy: -5.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -532.450403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.450403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.450403 (E_RNA)
where:
Base-Base interactions energy: -367.906
where: short stacking energy: -153.950
Base-Backbone interact. energy: -0.231
local terms energy: -164.312570
where:
bonds (distance) C4'-P energy: -27.976
bonds (distance) P-C4' energy: -31.481
flat angles C4'-P-C4' energy: -31.881
flat angles P-C4'-P energy: -25.038
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: 7
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -514.016544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.016544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.016544 (E_RNA)
where:
Base-Base interactions energy: -372.575
where: short stacking energy: -149.546
Base-Backbone interact. energy: -0.049
local terms energy: -141.393323
where:
bonds (distance) C4'-P energy: -20.210
bonds (distance) P-C4' energy: -27.348
flat angles C4'-P-C4' energy: -34.214
flat angles P-C4'-P energy: -20.053
tors. eta vs tors. theta energy: -39.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -520.495678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.495678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.495678 (E_RNA)
where:
Base-Base interactions energy: -367.692
where: short stacking energy: -147.417
Base-Backbone interact. energy: 0.608
local terms energy: -153.412216
where:
bonds (distance) C4'-P energy: -26.868
bonds (distance) P-C4' energy: -28.986
flat angles C4'-P-C4' energy: -33.134
flat angles P-C4'-P energy: -23.854
tors. eta vs tors. theta energy: -40.570
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: 2
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -448.939241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.939241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.939241 (E_RNA)
where:
Base-Base interactions energy: -305.630
where: short stacking energy: -142.443
Base-Backbone interact. energy: 0.253
local terms energy: -143.562199
where:
bonds (distance) C4'-P energy: -23.700
bonds (distance) P-C4' energy: -29.419
flat angles C4'-P-C4' energy: -29.277
flat angles P-C4'-P energy: -19.893
tors. eta vs tors. theta energy: -41.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -471.474839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.474839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.474839 (E_RNA)
where:
Base-Base interactions energy: -334.809
where: short stacking energy: -130.982
Base-Backbone interact. energy: -1.237
local terms energy: -135.429305
where:
bonds (distance) C4'-P energy: -24.498
bonds (distance) P-C4' energy: -27.676
flat angles C4'-P-C4' energy: -28.969
flat angles P-C4'-P energy: -16.991
tors. eta vs tors. theta energy: -37.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -405.258923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.258923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.258923 (E_RNA)
where:
Base-Base interactions energy: -279.722
where: short stacking energy: -125.907
Base-Backbone interact. energy: -0.236
local terms energy: -125.301569
where:
bonds (distance) C4'-P energy: -29.902
bonds (distance) P-C4' energy: -20.379
flat angles C4'-P-C4' energy: -24.218
flat angles P-C4'-P energy: -17.025
tors. eta vs tors. theta energy: -33.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -422.363862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.363862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.363862 (E_RNA)
where:
Base-Base interactions energy: -287.364
where: short stacking energy: -119.635
Base-Backbone interact. energy: -0.023
local terms energy: -134.976861
where:
bonds (distance) C4'-P energy: -30.578
bonds (distance) P-C4' energy: -26.014
flat angles C4'-P-C4' energy: -28.079
flat angles P-C4'-P energy: -17.884
tors. eta vs tors. theta energy: -32.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -303.160121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.160121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.160121 (E_RNA)
where:
Base-Base interactions energy: -198.148
where: short stacking energy: -94.530
Base-Backbone interact. energy: 1.510
local terms energy: -106.522781
where:
bonds (distance) C4'-P energy: -22.688
bonds (distance) P-C4' energy: -30.412
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -18.582
tors. eta vs tors. theta energy: -17.229
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: 5
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -215.950351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.950351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.950351 (E_RNA)
where:
Base-Base interactions energy: -120.266
where: short stacking energy: -64.294
Base-Backbone interact. energy: -0.028
local terms energy: -95.656877
where:
bonds (distance) C4'-P energy: -26.843
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -26.560
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -13.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -138.891564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.891564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.891564 (E_RNA)
where:
Base-Base interactions energy: -44.382
where: short stacking energy: -40.602
Base-Backbone interact. energy: -0.812
local terms energy: -93.697782
where:
bonds (distance) C4'-P energy: -19.264
bonds (distance) P-C4' energy: -29.779
flat angles C4'-P-C4' energy: -24.891
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -7.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -522.805316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.805316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.805316 (E_RNA)
where:
Base-Base interactions energy: -367.941
where: short stacking energy: -152.419
Base-Backbone interact. energy: -0.241
local terms energy: -154.623978
where:
bonds (distance) C4'-P energy: -28.225
bonds (distance) P-C4' energy: -30.410
flat angles C4'-P-C4' energy: -33.781
flat angles P-C4'-P energy: -23.363
tors. eta vs tors. theta energy: -38.844
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: 8
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -525.075851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.075851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.075851 (E_RNA)
where:
Base-Base interactions energy: -373.400
where: short stacking energy: -157.330
Base-Backbone interact. energy: -0.046
local terms energy: -151.629368
where:
bonds (distance) C4'-P energy: -23.774
bonds (distance) P-C4' energy: -28.198
flat angles C4'-P-C4' energy: -31.813
flat angles P-C4'-P energy: -19.880
tors. eta vs tors. theta energy: -47.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -517.471220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.471220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.471220 (E_RNA)
where:
Base-Base interactions energy: -369.953
where: short stacking energy: -142.047
Base-Backbone interact. energy: -0.243
local terms energy: -147.274746
where:
bonds (distance) C4'-P energy: -28.913
bonds (distance) P-C4' energy: -25.010
flat angles C4'-P-C4' energy: -27.704
flat angles P-C4'-P energy: -21.179
tors. eta vs tors. theta energy: -44.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -435.324036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.324036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.324036 (E_RNA)
where:
Base-Base interactions energy: -294.755
where: short stacking energy: -132.241
Base-Backbone interact. energy: -0.557
local terms energy: -140.011556
where:
bonds (distance) C4'-P energy: -32.420
bonds (distance) P-C4' energy: -25.471
flat angles C4'-P-C4' energy: -31.305
flat angles P-C4'-P energy: -19.873
tors. eta vs tors. theta energy: -30.942
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: 5, replica: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -459.442472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.442472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.442472 (E_RNA)
where:
Base-Base interactions energy: -319.213
where: short stacking energy: -138.113
Base-Backbone interact. energy: -0.278
local terms energy: -139.950669
where:
bonds (distance) C4'-P energy: -27.990
bonds (distance) P-C4' energy: -26.271
flat angles C4'-P-C4' energy: -29.190
flat angles P-C4'-P energy: -18.964
tors. eta vs tors. theta energy: -37.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -414.600559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.600559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.600559 (E_RNA)
where:
Base-Base interactions energy: -287.742
where: short stacking energy: -114.245
Base-Backbone interact. energy: -0.198
local terms energy: -126.661110
where:
bonds (distance) C4'-P energy: -25.998
bonds (distance) P-C4' energy: -26.691
flat angles C4'-P-C4' energy: -31.157
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -28.883
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: 9
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -392.968212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.968212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.968212 (E_RNA)
where:
Base-Base interactions energy: -264.862
where: short stacking energy: -112.001
Base-Backbone interact. energy: -0.793
local terms energy: -127.313727
where:
bonds (distance) C4'-P energy: -27.859
bonds (distance) P-C4' energy: -26.197
flat angles C4'-P-C4' energy: -25.252
flat angles P-C4'-P energy: -17.729
tors. eta vs tors. theta energy: -30.277
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: 8, replica: 4
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -361.537115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.537115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.537115 (E_RNA)
where:
Base-Base interactions energy: -245.677
where: short stacking energy: -102.336
Base-Backbone interact. energy: -0.112
local terms energy: -115.748385
where:
bonds (distance) C4'-P energy: -24.973
bonds (distance) P-C4' energy: -25.932
flat angles C4'-P-C4' energy: -27.214
flat angles P-C4'-P energy: -17.513
tors. eta vs tors. theta energy: -20.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -226.770751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.770751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.770751 (E_RNA)
where:
Base-Base interactions energy: -131.937
where: short stacking energy: -67.614
Base-Backbone interact. energy: -0.689
local terms energy: -94.144875
where:
bonds (distance) C4'-P energy: -22.245
bonds (distance) P-C4' energy: -28.797
flat angles C4'-P-C4' energy: -24.151
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -6.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -138.046625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.046625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.046625 (E_RNA)
where:
Base-Base interactions energy: -46.431
where: short stacking energy: -44.784
Base-Backbone interact. energy: -0.359
local terms energy: -91.256660
where:
bonds (distance) C4'-P energy: -20.845
bonds (distance) P-C4' energy: -29.751
flat angles C4'-P-C4' energy: -18.696
flat angles P-C4'-P energy: -15.889
tors. eta vs tors. theta energy: -6.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -535.795585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.795585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.795585 (E_RNA)
where:
Base-Base interactions energy: -388.252
where: short stacking energy: -147.040
Base-Backbone interact. energy: -0.148
local terms energy: -147.396250
where:
bonds (distance) C4'-P energy: -24.013
bonds (distance) P-C4' energy: -28.892
flat angles C4'-P-C4' energy: -28.837
flat angles P-C4'-P energy: -21.095
tors. eta vs tors. theta energy: -44.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -528.415383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.415383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.415383 (E_RNA)
where:
Base-Base interactions energy: -370.953
where: short stacking energy: -152.990
Base-Backbone interact. energy: -0.388
local terms energy: -157.074704
where:
bonds (distance) C4'-P energy: -23.798
bonds (distance) P-C4' energy: -25.690
flat angles C4'-P-C4' energy: -37.257
flat angles P-C4'-P energy: -25.628
tors. eta vs tors. theta energy: -44.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -518.173075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.173075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.173075 (E_RNA)
where:
Base-Base interactions energy: -372.676
where: short stacking energy: -146.389
Base-Backbone interact. energy: -0.105
local terms energy: -145.392533
where:
bonds (distance) C4'-P energy: -23.217
bonds (distance) P-C4' energy: -29.587
flat angles C4'-P-C4' energy: -24.403
flat angles P-C4'-P energy: -21.377
tors. eta vs tors. theta energy: -46.808
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: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -463.983189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.983189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.983189 (E_RNA)
where:
Base-Base interactions energy: -333.277
where: short stacking energy: -137.171
Base-Backbone interact. energy: -0.145
local terms energy: -130.560905
where:
bonds (distance) C4'-P energy: -25.635
bonds (distance) P-C4' energy: -17.686
flat angles C4'-P-C4' energy: -28.781
flat angles P-C4'-P energy: -21.480
tors. eta vs tors. theta energy: -36.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -437.119064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.119064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.119064 (E_RNA)
where:
Base-Base interactions energy: -298.631
where: short stacking energy: -128.324
Base-Backbone interact. energy: -0.587
local terms energy: -137.900265
where:
bonds (distance) C4'-P energy: -22.143
bonds (distance) P-C4' energy: -22.036
flat angles C4'-P-C4' energy: -29.708
flat angles P-C4'-P energy: -24.404
tors. eta vs tors. theta energy: -39.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -411.847903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.847903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.847903 (E_RNA)
where:
Base-Base interactions energy: -280.081
where: short stacking energy: -118.919
Base-Backbone interact. energy: -0.161
local terms energy: -131.605421
where:
bonds (distance) C4'-P energy: -29.066
bonds (distance) P-C4' energy: -26.566
flat angles C4'-P-C4' energy: -23.985
flat angles P-C4'-P energy: -21.292
tors. eta vs tors. theta energy: -30.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -387.174346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.174346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.174346 (E_RNA)
where:
Base-Base interactions energy: -269.842
where: short stacking energy: -96.401
Base-Backbone interact. energy: -0.677
local terms energy: -116.655605
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -32.413
flat angles C4'-P-C4' energy: -27.974
flat angles P-C4'-P energy: -16.270
tors. eta vs tors. theta energy: -23.417
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: 239
Temperature: 1.250000
Total energy: -372.892216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.892216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.892216 (E_RNA)
where:
Base-Base interactions energy: -258.712
where: short stacking energy: -105.762
Base-Backbone interact. energy: -1.376
local terms energy: -112.803906
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -22.365
flat angles C4'-P-C4' energy: -25.128
flat angles P-C4'-P energy: -21.010
tors. eta vs tors. theta energy: -22.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -218.402943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.402943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.402943 (E_RNA)
where:
Base-Base interactions energy: -122.492
where: short stacking energy: -60.737
Base-Backbone interact. energy: -0.088
local terms energy: -95.823299
where:
bonds (distance) C4'-P energy: -23.990
bonds (distance) P-C4' energy: -22.983
flat angles C4'-P-C4' energy: -26.754
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -9.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -135.457288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.457288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.457288 (E_RNA)
where:
Base-Base interactions energy: -52.930
where: short stacking energy: -50.582
Base-Backbone interact. energy: -0.525
local terms energy: -82.001616
where:
bonds (distance) C4'-P energy: -20.936
bonds (distance) P-C4' energy: -24.050
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -17.129
tors. eta vs tors. theta energy: -5.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -531.039864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.039864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.039864 (E_RNA)
where:
Base-Base interactions energy: -376.202
where: short stacking energy: -159.152
Base-Backbone interact. energy: -0.537
local terms energy: -154.301385
where:
bonds (distance) C4'-P energy: -26.545
bonds (distance) P-C4' energy: -22.223
flat angles C4'-P-C4' energy: -33.038
flat angles P-C4'-P energy: -24.417
tors. eta vs tors. theta energy: -48.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -522.164236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.164236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.164236 (E_RNA)
where:
Base-Base interactions energy: -363.493
where: short stacking energy: -153.893
Base-Backbone interact. energy: -0.051
local terms energy: -158.619893
where:
bonds (distance) C4'-P energy: -32.458
bonds (distance) P-C4' energy: -26.618
flat angles C4'-P-C4' energy: -33.245
flat angles P-C4'-P energy: -20.852
tors. eta vs tors. theta energy: -45.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -518.866741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.866741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.866741 (E_RNA)
where:
Base-Base interactions energy: -377.608
where: short stacking energy: -164.212
Base-Backbone interact. energy: -0.511
local terms energy: -140.747697
where:
bonds (distance) C4'-P energy: -21.871
bonds (distance) P-C4' energy: -25.330
flat angles C4'-P-C4' energy: -30.176
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -46.359
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: 4, replica: 3
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -462.172426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.172426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.172426 (E_RNA)
where:
Base-Base interactions energy: -327.838
where: short stacking energy: -134.967
Base-Backbone interact. energy: -1.395
local terms energy: -132.939423
where:
bonds (distance) C4'-P energy: -31.137
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -25.895
flat angles P-C4'-P energy: -22.335
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: 5, replica: 9
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -454.599083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.599083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.599083 (E_RNA)
where:
Base-Base interactions energy: -303.201
where: short stacking energy: -130.103
Base-Backbone interact. energy: -1.400
local terms energy: -149.998345
where:
bonds (distance) C4'-P energy: -27.707
bonds (distance) P-C4' energy: -29.741
flat angles C4'-P-C4' energy: -26.187
flat angles P-C4'-P energy: -24.242
tors. eta vs tors. theta energy: -42.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -432.676279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.676279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.676279 (E_RNA)
where:
Base-Base interactions energy: -303.044
where: short stacking energy: -130.264
Base-Backbone interact. energy: -0.373
local terms energy: -129.259780
where:
bonds (distance) C4'-P energy: -20.918
bonds (distance) P-C4' energy: -18.478
flat angles C4'-P-C4' energy: -29.232
flat angles P-C4'-P energy: -20.141
tors. eta vs tors. theta energy: -40.491
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: 4
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -383.226075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.226075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.226075 (E_RNA)
where:
Base-Base interactions energy: -263.238
where: short stacking energy: -104.715
Base-Backbone interact. energy: -0.347
local terms energy: -119.640857
where:
bonds (distance) C4'-P energy: -25.643
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -28.105
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -28.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -328.057814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.057814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.057814 (E_RNA)
where:
Base-Base interactions energy: -217.649
where: short stacking energy: -91.713
Base-Backbone interact. energy: -0.423
local terms energy: -109.985688
where:
bonds (distance) C4'-P energy: -23.138
bonds (distance) P-C4' energy: -26.825
flat angles C4'-P-C4' energy: -22.018
flat angles P-C4'-P energy: -19.927
tors. eta vs tors. theta energy: -18.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -205.712902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.712902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.712902 (E_RNA)
where:
Base-Base interactions energy: -110.936
where: short stacking energy: -67.894
Base-Backbone interact. energy: -0.351
local terms energy: -94.425881
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -27.301
flat angles C4'-P-C4' energy: -24.832
flat angles P-C4'-P energy: -18.418
tors. eta vs tors. theta energy: -10.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -144.926610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.926610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.926610 (E_RNA)
where:
Base-Base interactions energy: -67.372
where: short stacking energy: -54.127
Base-Backbone interact. energy: -0.384
local terms energy: -77.170300
where:
bonds (distance) C4'-P energy: -20.795
bonds (distance) P-C4' energy: -21.483
flat angles C4'-P-C4' energy: -21.487
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -2.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -542.258305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.258305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.258305 (E_RNA)
where:
Base-Base interactions energy: -376.022
where: short stacking energy: -156.107
Base-Backbone interact. energy: -0.544
local terms energy: -165.692888
where:
bonds (distance) C4'-P energy: -33.417
bonds (distance) P-C4' energy: -29.107
flat angles C4'-P-C4' energy: -32.009
flat angles P-C4'-P energy: -22.905
tors. eta vs tors. theta energy: -48.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -530.039112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.039112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.039112 (E_RNA)
where:
Base-Base interactions energy: -367.345
where: short stacking energy: -153.055
Base-Backbone interact. energy: -0.148
local terms energy: -162.545965
where:
bonds (distance) C4'-P energy: -31.075
bonds (distance) P-C4' energy: -26.583
flat angles C4'-P-C4' energy: -33.866
flat angles P-C4'-P energy: -21.821
tors. eta vs tors. theta energy: -49.201
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: 3, replica: 7
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -514.710242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.710242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.710242 (E_RNA)
where:
Base-Base interactions energy: -371.656
where: short stacking energy: -141.497
Base-Backbone interact. energy: -0.402
local terms energy: -142.652553
where:
bonds (distance) C4'-P energy: -25.089
bonds (distance) P-C4' energy: -30.514
flat angles C4'-P-C4' energy: -28.824
flat angles P-C4'-P energy: -18.853
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: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -485.673702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.673702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.673702 (E_RNA)
where:
Base-Base interactions energy: -350.078
where: short stacking energy: -135.329
Base-Backbone interact. energy: -0.188
local terms energy: -135.407846
where:
bonds (distance) C4'-P energy: -23.185
bonds (distance) P-C4' energy: -23.747
flat angles C4'-P-C4' energy: -36.161
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -39.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -443.363239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.363239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.363239 (E_RNA)
where:
Base-Base interactions energy: -311.179
where: short stacking energy: -124.159
Base-Backbone interact. energy: 0.185
local terms energy: -132.369161
where:
bonds (distance) C4'-P energy: -21.503
bonds (distance) P-C4' energy: -28.669
flat angles C4'-P-C4' energy: -29.517
flat angles P-C4'-P energy: -18.017
tors. eta vs tors. theta energy: -34.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -442.195567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.195567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.195567 (E_RNA)
where:
Base-Base interactions energy: -303.871
where: short stacking energy: -131.972
Base-Backbone interact. energy: -0.779
local terms energy: -137.546076
where:
bonds (distance) C4'-P energy: -28.793
bonds (distance) P-C4' energy: -25.633
flat angles C4'-P-C4' energy: -28.294
flat angles P-C4'-P energy: -18.231
tors. eta vs tors. theta energy: -36.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -359.780044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.780044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.780044 (E_RNA)
where:
Base-Base interactions energy: -238.162
where: short stacking energy: -102.870
Base-Backbone interact. energy: -1.653
local terms energy: -119.964326
where:
bonds (distance) C4'-P energy: -29.799
bonds (distance) P-C4' energy: -28.399
flat angles C4'-P-C4' energy: -22.298
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -25.852
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: 1
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -338.715715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.715715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.715715 (E_RNA)
where:
Base-Base interactions energy: -231.599
where: short stacking energy: -100.158
Base-Backbone interact. energy: -0.352
local terms energy: -106.765001
where:
bonds (distance) C4'-P energy: -21.533
bonds (distance) P-C4' energy: -20.772
flat angles C4'-P-C4' energy: -23.825
flat angles P-C4'-P energy: -18.296
tors. eta vs tors. theta energy: -22.339
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: 5
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -203.225934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.225934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.225934 (E_RNA)
where:
Base-Base interactions energy: -120.793
where: short stacking energy: -59.215
Base-Backbone interact. energy: -0.361
local terms energy: -82.072691
where:
bonds (distance) C4'-P energy: -19.453
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -23.521
flat angles P-C4'-P energy: -18.413
tors. eta vs tors. theta energy: -3.523
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: 10
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -145.502658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.502658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.502658 (E_RNA)
where:
Base-Base interactions energy: -52.167
where: short stacking energy: -46.640
Base-Backbone interact. energy: -0.366
local terms energy: -92.970109
where:
bonds (distance) C4'-P energy: -23.228
bonds (distance) P-C4' energy: -23.222
flat angles C4'-P-C4' energy: -20.936
flat angles P-C4'-P energy: -17.830
tors. eta vs tors. theta energy: -7.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -537.937790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.937790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.937790 (E_RNA)
where:
Base-Base interactions energy: -373.672
where: short stacking energy: -163.691
Base-Backbone interact. energy: -0.007
local terms energy: -164.259384
where:
bonds (distance) C4'-P energy: -29.755
bonds (distance) P-C4' energy: -30.205
flat angles C4'-P-C4' energy: -32.948
flat angles P-C4'-P energy: -22.431
tors. eta vs tors. theta energy: -48.921
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: 6
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -529.557229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.557229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.557229 (E_RNA)
where:
Base-Base interactions energy: -362.552
where: short stacking energy: -151.607
Base-Backbone interact. energy: -0.063
local terms energy: -166.942478
where:
bonds (distance) C4'-P energy: -27.799
bonds (distance) P-C4' energy: -32.122
flat angles C4'-P-C4' energy: -32.824
flat angles P-C4'-P energy: -26.131
tors. eta vs tors. theta energy: -48.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -510.782559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.782559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.782559 (E_RNA)
where:
Base-Base interactions energy: -366.533
where: short stacking energy: -138.816
Base-Backbone interact. energy: -0.226
local terms energy: -144.023672
where:
bonds (distance) C4'-P energy: -29.835
bonds (distance) P-C4' energy: -27.047
flat angles C4'-P-C4' energy: -32.737
flat angles P-C4'-P energy: -17.846
tors. eta vs tors. theta energy: -36.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -460.914663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.914663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.914663 (E_RNA)
where:
Base-Base interactions energy: -322.149
where: short stacking energy: -131.601
Base-Backbone interact. energy: -0.690
local terms energy: -138.075596
where:
bonds (distance) C4'-P energy: -27.293
bonds (distance) P-C4' energy: -26.119
flat angles C4'-P-C4' energy: -31.694
flat angles P-C4'-P energy: -19.132
tors. eta vs tors. theta energy: -33.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -462.057341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.057341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.057341 (E_RNA)
where:
Base-Base interactions energy: -328.012
where: short stacking energy: -146.192
Base-Backbone interact. energy: -1.205
local terms energy: -132.840134
where:
bonds (distance) C4'-P energy: -26.946
bonds (distance) P-C4' energy: -25.615
flat angles C4'-P-C4' energy: -26.049
flat angles P-C4'-P energy: -11.156
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: 6, replica: 2
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -423.980987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.980987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.980987 (E_RNA)
where:
Base-Base interactions energy: -299.360
where: short stacking energy: -130.014
Base-Backbone interact. energy: 1.468
local terms energy: -126.089464
where:
bonds (distance) C4'-P energy: -25.045
bonds (distance) P-C4' energy: -22.689
flat angles C4'-P-C4' energy: -26.768
flat angles P-C4'-P energy: -17.290
tors. eta vs tors. theta energy: -34.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -373.118085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.118085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.118085 (E_RNA)
where:
Base-Base interactions energy: -268.859
where: short stacking energy: -103.146
Base-Backbone interact. energy: -0.608
local terms energy: -103.650437
where:
bonds (distance) C4'-P energy: -22.578
bonds (distance) P-C4' energy: -24.500
flat angles C4'-P-C4' energy: -21.564
flat angles P-C4'-P energy: -16.407
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -355.885784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.885784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.885784 (E_RNA)
where:
Base-Base interactions energy: -237.834
where: short stacking energy: -104.701
Base-Backbone interact. energy: 0.351
local terms energy: -118.403190
where:
bonds (distance) C4'-P energy: -22.093
bonds (distance) P-C4' energy: -23.959
flat angles C4'-P-C4' energy: -28.376
flat angles P-C4'-P energy: -16.344
tors. eta vs tors. theta energy: -27.632
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: 5
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -213.731831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.731831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.731831 (E_RNA)
where:
Base-Base interactions energy: -128.474
where: short stacking energy: -56.312
Base-Backbone interact. energy: -0.459
local terms energy: -84.798796
where:
bonds (distance) C4'-P energy: -24.275
bonds (distance) P-C4' energy: -29.581
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -13.370
tors. eta vs tors. theta energy: 0.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -142.796002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.796002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.796002 (E_RNA)
where:
Base-Base interactions energy: -69.505
where: short stacking energy: -51.130
Base-Backbone interact. energy: 0.688
local terms energy: -73.979220
where:
bonds (distance) C4'-P energy: -19.180
bonds (distance) P-C4' energy: -26.244
flat angles C4'-P-C4' energy: -18.234
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: 1.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -545.666851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.666851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.666851 (E_RNA)
where:
Base-Base interactions energy: -377.928
where: short stacking energy: -160.724
Base-Backbone interact. energy: -0.719
local terms energy: -167.019743
where:
bonds (distance) C4'-P energy: -26.861
bonds (distance) P-C4' energy: -32.593
flat angles C4'-P-C4' energy: -36.467
flat angles P-C4'-P energy: -22.424
tors. eta vs tors. theta energy: -48.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -529.545719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.545719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.545719 (E_RNA)
where:
Base-Base interactions energy: -381.040
where: short stacking energy: -150.196
Base-Backbone interact. energy: -0.892
local terms energy: -147.613269
where:
bonds (distance) C4'-P energy: -24.152
bonds (distance) P-C4' energy: -30.059
flat angles C4'-P-C4' energy: -32.548
flat angles P-C4'-P energy: -18.785
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: 3, replica: 6
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -524.882268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.882268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.882268 (E_RNA)
where:
Base-Base interactions energy: -376.276
where: short stacking energy: -156.871
Base-Backbone interact. energy: -0.175
local terms energy: -148.431383
where:
bonds (distance) C4'-P energy: -28.429
bonds (distance) P-C4' energy: -20.316
flat angles C4'-P-C4' energy: -28.822
flat angles P-C4'-P energy: -22.520
tors. eta vs tors. theta energy: -48.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -467.995142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.995142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.995142 (E_RNA)
where:
Base-Base interactions energy: -329.602
where: short stacking energy: -133.992
Base-Backbone interact. energy: -0.300
local terms energy: -138.093975
where:
bonds (distance) C4'-P energy: -24.155
bonds (distance) P-C4' energy: -24.137
flat angles C4'-P-C4' energy: -26.847
flat angles P-C4'-P energy: -23.254
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: 5, replica: 9
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -442.353662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.353662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.353662 (E_RNA)
where:
Base-Base interactions energy: -303.516
where: short stacking energy: -127.847
Base-Backbone interact. energy: -0.639
local terms energy: -138.198374
where:
bonds (distance) C4'-P energy: -24.324
bonds (distance) P-C4' energy: -25.875
flat angles C4'-P-C4' energy: -32.896
flat angles P-C4'-P energy: -21.258
tors. eta vs tors. theta energy: -33.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -429.274254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.274254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.274254 (E_RNA)
where:
Base-Base interactions energy: -299.350
where: short stacking energy: -135.494
Base-Backbone interact. energy: -0.540
local terms energy: -129.383666
where:
bonds (distance) C4'-P energy: -26.955
bonds (distance) P-C4' energy: -26.979
flat angles C4'-P-C4' energy: -25.097
flat angles P-C4'-P energy: -15.117
tors. eta vs tors. theta energy: -35.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -346.413508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.413508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.413508 (E_RNA)
where:
Base-Base interactions energy: -234.805
where: short stacking energy: -101.154
Base-Backbone interact. energy: -0.580
local terms energy: -111.028304
where:
bonds (distance) C4'-P energy: -25.448
bonds (distance) P-C4' energy: -22.198
flat angles C4'-P-C4' energy: -26.030
flat angles P-C4'-P energy: -17.333
tors. eta vs tors. theta energy: -20.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -320.156923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.156923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.156923 (E_RNA)
where:
Base-Base interactions energy: -216.616
where: short stacking energy: -106.760
Base-Backbone interact. energy: -0.225
local terms energy: -103.316009
where:
bonds (distance) C4'-P energy: -26.183
bonds (distance) P-C4' energy: -27.055
flat angles C4'-P-C4' energy: -19.471
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -21.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -237.355815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.355815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.355815 (E_RNA)
where:
Base-Base interactions energy: -130.331
where: short stacking energy: -68.893
Base-Backbone interact. energy: -0.051
local terms energy: -106.973852
where:
bonds (distance) C4'-P energy: -21.313
bonds (distance) P-C4' energy: -25.849
flat angles C4'-P-C4' energy: -27.377
flat angles P-C4'-P energy: -17.913
tors. eta vs tors. theta energy: -14.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -120.138649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.138649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.138649 (E_RNA)
where:
Base-Base interactions energy: -42.196
where: short stacking energy: -40.645
Base-Backbone interact. energy: 0.075
local terms energy: -78.016888
where:
bonds (distance) C4'-P energy: -23.916
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -25.692
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: 5.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -535.827240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.827240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.827240 (E_RNA)
where:
Base-Base interactions energy: -371.544
where: short stacking energy: -151.648
Base-Backbone interact. energy: -0.009
local terms energy: -164.274195
where:
bonds (distance) C4'-P energy: -29.427
bonds (distance) P-C4' energy: -30.614
flat angles C4'-P-C4' energy: -33.992
flat angles P-C4'-P energy: -25.556
tors. eta vs tors. theta energy: -44.685
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: 7
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -529.153351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.153351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.153351 (E_RNA)
where:
Base-Base interactions energy: -375.953
where: short stacking energy: -158.726
Base-Backbone interact. energy: -0.002
local terms energy: -153.198025
where:
bonds (distance) C4'-P energy: -26.086
bonds (distance) P-C4' energy: -24.219
flat angles C4'-P-C4' energy: -31.475
flat angles P-C4'-P energy: -23.730
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: 6
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -515.426013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.426013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.426013 (E_RNA)
where:
Base-Base interactions energy: -364.572
where: short stacking energy: -154.120
Base-Backbone interact. energy: -0.292
local terms energy: -150.561492
where:
bonds (distance) C4'-P energy: -23.895
bonds (distance) P-C4' energy: -28.367
flat angles C4'-P-C4' energy: -32.184
flat angles P-C4'-P energy: -20.639
tors. eta vs tors. theta energy: -45.477
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: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -463.129975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.129975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.129975 (E_RNA)
where:
Base-Base interactions energy: -342.949
where: short stacking energy: -141.738
Base-Backbone interact. energy: 0.642
local terms energy: -120.823619
where:
bonds (distance) C4'-P energy: -21.916
bonds (distance) P-C4' energy: -23.284
flat angles C4'-P-C4' energy: -28.332
flat angles P-C4'-P energy: -13.370
tors. eta vs tors. theta energy: -33.921
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: 9
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -433.523510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.523510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.523510 (E_RNA)
where:
Base-Base interactions energy: -302.063
where: short stacking energy: -120.823
Base-Backbone interact. energy: -0.273
local terms energy: -131.187219
where:
bonds (distance) C4'-P energy: -24.612
bonds (distance) P-C4' energy: -29.726
flat angles C4'-P-C4' energy: -25.780
flat angles P-C4'-P energy: -19.769
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: 6, replica: 2
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -425.731979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.731979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.731979 (E_RNA)
where:
Base-Base interactions energy: -292.408
where: short stacking energy: -130.063
Base-Backbone interact. energy: -0.135
local terms energy: -133.189186
where:
bonds (distance) C4'-P energy: -25.953
bonds (distance) P-C4' energy: -30.774
flat angles C4'-P-C4' energy: -24.632
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -34.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -359.135517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.135517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.135517 (E_RNA)
where:
Base-Base interactions energy: -240.624
where: short stacking energy: -104.688
Base-Backbone interact. energy: -1.088
local terms energy: -117.423328
where:
bonds (distance) C4'-P energy: -20.956
bonds (distance) P-C4' energy: -28.368
flat angles C4'-P-C4' energy: -18.795
flat angles P-C4'-P energy: -19.687
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: 8, replica: 4
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -324.962741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.962741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.962741 (E_RNA)
where:
Base-Base interactions energy: -212.122
where: short stacking energy: -89.709
Base-Backbone interact. energy: 1.480
local terms energy: -114.320131
where:
bonds (distance) C4'-P energy: -22.758
bonds (distance) P-C4' energy: -26.541
flat angles C4'-P-C4' energy: -26.671
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -23.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -222.437216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.437216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.437216 (E_RNA)
where:
Base-Base interactions energy: -129.056
where: short stacking energy: -70.625
Base-Backbone interact. energy: 0.634
local terms energy: -94.015082
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -27.898
flat angles C4'-P-C4' energy: -21.385
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -15.837
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: 10
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -136.130034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.130034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.130034 (E_RNA)
where:
Base-Base interactions energy: -51.939
where: short stacking energy: -39.875
Base-Backbone interact. energy: -0.745
local terms energy: -83.445867
where:
bonds (distance) C4'-P energy: -25.104
bonds (distance) P-C4' energy: -20.974
flat angles C4'-P-C4' energy: -20.486
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -3.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -535.131770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.131770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.131770 (E_RNA)
where:
Base-Base interactions energy: -373.616
where: short stacking energy: -160.898
Base-Backbone interact. energy: -0.048
local terms energy: -161.467531
where:
bonds (distance) C4'-P energy: -24.316
bonds (distance) P-C4' energy: -29.615
flat angles C4'-P-C4' energy: -34.504
flat angles P-C4'-P energy: -25.007
tors. eta vs tors. theta energy: -48.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -518.313076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.313076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.313076 (E_RNA)
where:
Base-Base interactions energy: -362.831
where: short stacking energy: -152.702
Base-Backbone interact. energy: -0.656
local terms energy: -154.826206
where:
bonds (distance) C4'-P energy: -26.036
bonds (distance) P-C4' energy: -30.643
flat angles C4'-P-C4' energy: -32.822
flat angles P-C4'-P energy: -20.229
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: 3, replica: 7
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -526.800627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.800627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.800627 (E_RNA)
where:
Base-Base interactions energy: -367.920
where: short stacking energy: -151.068
Base-Backbone interact. energy: -0.057
local terms energy: -158.823059
where:
bonds (distance) C4'-P energy: -30.287
bonds (distance) P-C4' energy: -28.855
flat angles C4'-P-C4' energy: -30.319
flat angles P-C4'-P energy: -20.301
tors. eta vs tors. theta energy: -49.060
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: 4, replica: 9
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -459.534515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.534515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.534515 (E_RNA)
where:
Base-Base interactions energy: -323.379
where: short stacking energy: -120.347
Base-Backbone interact. energy: -0.127
local terms energy: -136.027950
where:
bonds (distance) C4'-P energy: -21.648
bonds (distance) P-C4' energy: -29.921
flat angles C4'-P-C4' energy: -30.210
flat angles P-C4'-P energy: -21.732
tors. eta vs tors. theta energy: -32.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -458.068135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.068135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.068135 (E_RNA)
where:
Base-Base interactions energy: -317.675
where: short stacking energy: -135.326
Base-Backbone interact. energy: -0.505
local terms energy: -139.887946
where:
bonds (distance) C4'-P energy: -30.232
bonds (distance) P-C4' energy: -29.660
flat angles C4'-P-C4' energy: -28.872
flat angles P-C4'-P energy: -11.272
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: 6, replica: 2
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -433.476816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.476816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.476816 (E_RNA)
where:
Base-Base interactions energy: -298.777
where: short stacking energy: -136.507
Base-Backbone interact. energy: -1.261
local terms energy: -133.439328
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -23.703
flat angles C4'-P-C4' energy: -28.992
flat angles P-C4'-P energy: -22.826
tors. eta vs tors. theta energy: -40.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -328.114330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.114330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.114330 (E_RNA)
where:
Base-Base interactions energy: -214.601
where: short stacking energy: -92.716
Base-Backbone interact. energy: -0.313
local terms energy: -113.200961
where:
bonds (distance) C4'-P energy: -24.599
bonds (distance) P-C4' energy: -29.077
flat angles C4'-P-C4' energy: -23.412
flat angles P-C4'-P energy: -15.676
tors. eta vs tors. theta energy: -20.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -307.635205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.635205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.635205 (E_RNA)
where:
Base-Base interactions energy: -202.168
where: short stacking energy: -79.967
Base-Backbone interact. energy: -0.499
local terms energy: -104.968311
where:
bonds (distance) C4'-P energy: -26.415
bonds (distance) P-C4' energy: -29.245
flat angles C4'-P-C4' energy: -24.995
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -13.397
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: 5
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -198.586977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.586977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.586977 (E_RNA)
where:
Base-Base interactions energy: -101.288
where: short stacking energy: -58.217
Base-Backbone interact. energy: -1.325
local terms energy: -95.973978
where:
bonds (distance) C4'-P energy: -30.221
bonds (distance) P-C4' energy: -23.629
flat angles C4'-P-C4' energy: -19.443
flat angles P-C4'-P energy: -19.541
tors. eta vs tors. theta energy: -3.139
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: 10
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -131.325666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.325666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.325666 (E_RNA)
where:
Base-Base interactions energy: -54.833
where: short stacking energy: -41.977
Base-Backbone interact. energy: 0.306
local terms energy: -76.798033
where:
bonds (distance) C4'-P energy: -23.227
bonds (distance) P-C4' energy: -27.737
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: 2.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -532.941129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.941129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.941129 (E_RNA)
where:
Base-Base interactions energy: -368.361
where: short stacking energy: -156.158
Base-Backbone interact. energy: -0.373
local terms energy: -164.207023
where:
bonds (distance) C4'-P energy: -30.428
bonds (distance) P-C4' energy: -29.726
flat angles C4'-P-C4' energy: -33.027
flat angles P-C4'-P energy: -21.245
tors. eta vs tors. theta energy: -49.781
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: 8
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -533.581897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.581897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.581897 (E_RNA)
where:
Base-Base interactions energy: -368.523
where: short stacking energy: -153.919
Base-Backbone interact. energy: -0.565
local terms energy: -164.493995
where:
bonds (distance) C4'-P energy: -31.323
bonds (distance) P-C4' energy: -28.604
flat angles C4'-P-C4' energy: -34.313
flat angles P-C4'-P energy: -24.060
tors. eta vs tors. theta energy: -46.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -507.498940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.498940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.498940 (E_RNA)
where:
Base-Base interactions energy: -363.063
where: short stacking energy: -156.888
Base-Backbone interact. energy: -0.579
local terms energy: -143.857244
where:
bonds (distance) C4'-P energy: -27.445
bonds (distance) P-C4' energy: -24.527
flat angles C4'-P-C4' energy: -29.323
flat angles P-C4'-P energy: -22.469
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: 4, replica: 9
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -460.252490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.252490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.252490 (E_RNA)
where:
Base-Base interactions energy: -326.104
where: short stacking energy: -153.306
Base-Backbone interact. energy: -0.355
local terms energy: -133.792813
where:
bonds (distance) C4'-P energy: -26.494
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -25.149
flat angles P-C4'-P energy: -20.312
tors. eta vs tors. theta energy: -41.600
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: 5, replica: 3
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -458.878919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.878919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.878919 (E_RNA)
where:
Base-Base interactions energy: -336.666
where: short stacking energy: -132.958
Base-Backbone interact. energy: -0.093
local terms energy: -122.119834
where:
bonds (distance) C4'-P energy: -21.547
bonds (distance) P-C4' energy: -23.486
flat angles C4'-P-C4' energy: -25.402
flat angles P-C4'-P energy: -16.039
tors. eta vs tors. theta energy: -35.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -448.224972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.224972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.224972 (E_RNA)
where:
Base-Base interactions energy: -317.398
where: short stacking energy: -138.160
Base-Backbone interact. energy: -0.161
local terms energy: -130.665968
where:
bonds (distance) C4'-P energy: -20.952
bonds (distance) P-C4' energy: -22.539
flat angles C4'-P-C4' energy: -32.346
flat angles P-C4'-P energy: -14.702
tors. eta vs tors. theta energy: -40.126
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: 4
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -321.861821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.861821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.861821 (E_RNA)
where:
Base-Base interactions energy: -220.616
where: short stacking energy: -91.662
Base-Backbone interact. energy: -0.725
local terms energy: -100.520969
where:
bonds (distance) C4'-P energy: -26.052
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -26.434
flat angles P-C4'-P energy: -11.776
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: 8, replica: 1
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -309.844318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.844318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.844318 (E_RNA)
where:
Base-Base interactions energy: -206.776
where: short stacking energy: -82.212
Base-Backbone interact. energy: -1.126
local terms energy: -101.942078
where:
bonds (distance) C4'-P energy: -22.524
bonds (distance) P-C4' energy: -24.290
flat angles C4'-P-C4' energy: -22.018
flat angles P-C4'-P energy: -15.134
tors. eta vs tors. theta energy: -17.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -196.652177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.652177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.652177 (E_RNA)
where:
Base-Base interactions energy: -112.848
where: short stacking energy: -52.695
Base-Backbone interact. energy: 0.769
local terms energy: -84.573434
where:
bonds (distance) C4'-P energy: -22.620
bonds (distance) P-C4' energy: -30.884
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -10.471
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: 10, replica: 10
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -135.132080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.132080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.132080 (E_RNA)
where:
Base-Base interactions energy: -45.202
where: short stacking energy: -29.122
Base-Backbone interact. energy: -0.346
local terms energy: -89.583880
where:
bonds (distance) C4'-P energy: -29.889
bonds (distance) P-C4' energy: -29.316
flat angles C4'-P-C4' energy: -21.274
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: 3.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -535.599307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.599307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.599307 (E_RNA)
where:
Base-Base interactions energy: -383.117
where: short stacking energy: -163.783
Base-Backbone interact. energy: -0.881
local terms energy: -151.601192
where:
bonds (distance) C4'-P energy: -25.636
bonds (distance) P-C4' energy: -28.888
flat angles C4'-P-C4' energy: -28.971
flat angles P-C4'-P energy: -18.628
tors. eta vs tors. theta energy: -49.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -531.776205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.776205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.776205 (E_RNA)
where:
Base-Base interactions energy: -368.637
where: short stacking energy: -152.551
Base-Backbone interact. energy: -0.005
local terms energy: -163.134228
where:
bonds (distance) C4'-P energy: -28.433
bonds (distance) P-C4' energy: -30.343
flat angles C4'-P-C4' energy: -32.255
flat angles P-C4'-P energy: -21.565
tors. eta vs tors. theta energy: -50.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -513.891063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.891063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.891063 (E_RNA)
where:
Base-Base interactions energy: -364.324
where: short stacking energy: -150.839
Base-Backbone interact. energy: -0.359
local terms energy: -149.208054
where:
bonds (distance) C4'-P energy: -28.741
bonds (distance) P-C4' energy: -27.490
flat angles C4'-P-C4' energy: -28.426
flat angles P-C4'-P energy: -17.465
tors. eta vs tors. theta energy: -47.086
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: 9
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -477.298795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.298795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.298795 (E_RNA)
where:
Base-Base interactions energy: -335.928
where: short stacking energy: -148.059
Base-Backbone interact. energy: -0.343
local terms energy: -141.027242
where:
bonds (distance) C4'-P energy: -25.562
bonds (distance) P-C4' energy: -24.753
flat angles C4'-P-C4' energy: -30.774
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -43.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -453.972108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.972108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.972108 (E_RNA)
where:
Base-Base interactions energy: -335.332
where: short stacking energy: -130.253
Base-Backbone interact. energy: 2.081
local terms energy: -120.721548
where:
bonds (distance) C4'-P energy: -25.547
bonds (distance) P-C4' energy: -27.179
flat angles C4'-P-C4' energy: -28.266
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -31.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -421.870857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.870857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.870857 (E_RNA)
where:
Base-Base interactions energy: -292.651
where: short stacking energy: -132.041
Base-Backbone interact. energy: -0.189
local terms energy: -129.030931
where:
bonds (distance) C4'-P energy: -22.915
bonds (distance) P-C4' energy: -24.994
flat angles C4'-P-C4' energy: -26.483
flat angles P-C4'-P energy: -22.226
tors. eta vs tors. theta energy: -32.414
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: 4
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -315.696636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.696636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.696636 (E_RNA)
where:
Base-Base interactions energy: -199.665
where: short stacking energy: -94.020
Base-Backbone interact. energy: 0.406
local terms energy: -116.437833
where:
bonds (distance) C4'-P energy: -24.514
bonds (distance) P-C4' energy: -25.858
flat angles C4'-P-C4' energy: -30.151
flat angles P-C4'-P energy: -18.889
tors. eta vs tors. theta energy: -17.026
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: 247
Temperature: 1.250000
Total energy: -343.299292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.299292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.299292 (E_RNA)
where:
Base-Base interactions energy: -213.504
where: short stacking energy: -102.739
Base-Backbone interact. energy: -1.066
local terms energy: -128.730110
where:
bonds (distance) C4'-P energy: -32.064
bonds (distance) P-C4' energy: -28.503
flat angles C4'-P-C4' energy: -24.063
flat angles P-C4'-P energy: -16.964
tors. eta vs tors. theta energy: -27.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -204.125065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.125065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.125065 (E_RNA)
where:
Base-Base interactions energy: -106.783
where: short stacking energy: -61.898
Base-Backbone interact. energy: -0.374
local terms energy: -96.967495
where:
bonds (distance) C4'-P energy: -20.333
bonds (distance) P-C4' energy: -28.370
flat angles C4'-P-C4' energy: -27.193
flat angles P-C4'-P energy: -18.023
tors. eta vs tors. theta energy: -3.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -133.222716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.222716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.222716 (E_RNA)
where:
Base-Base interactions energy: -65.084
where: short stacking energy: -40.582
Base-Backbone interact. energy: -2.419
local terms energy: -65.719706
where:
bonds (distance) C4'-P energy: -22.930
bonds (distance) P-C4' energy: -20.585
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: 1.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -547.459630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.459630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.459630 (E_RNA)
where:
Base-Base interactions energy: -384.165
where: short stacking energy: -149.702
Base-Backbone interact. energy: -0.947
local terms energy: -162.346776
where:
bonds (distance) C4'-P energy: -29.099
bonds (distance) P-C4' energy: -29.200
flat angles C4'-P-C4' energy: -34.106
flat angles P-C4'-P energy: -24.985
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: 2, replica: 6
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -539.030459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.030459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.030459 (E_RNA)
where:
Base-Base interactions energy: -391.680
where: short stacking energy: -151.840
Base-Backbone interact. energy: -0.083
local terms energy: -147.267486
where:
bonds (distance) C4'-P energy: -24.168
bonds (distance) P-C4' energy: -26.022
flat angles C4'-P-C4' energy: -30.833
flat angles P-C4'-P energy: -18.955
tors. eta vs tors. theta energy: -47.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -523.613024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.613024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.613024 (E_RNA)
where:
Base-Base interactions energy: -363.242
where: short stacking energy: -142.825
Base-Backbone interact. energy: -1.400
local terms energy: -158.970078
where:
bonds (distance) C4'-P energy: -30.577
bonds (distance) P-C4' energy: -27.928
flat angles C4'-P-C4' energy: -30.594
flat angles P-C4'-P energy: -22.681
tors. eta vs tors. theta energy: -47.190
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: 9
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -448.925588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.925588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.925588 (E_RNA)
where:
Base-Base interactions energy: -313.079
where: short stacking energy: -134.527
Base-Backbone interact. energy: -0.699
local terms energy: -135.146900
where:
bonds (distance) C4'-P energy: -30.809
bonds (distance) P-C4' energy: -27.321
flat angles C4'-P-C4' energy: -22.465
flat angles P-C4'-P energy: -17.608
tors. eta vs tors. theta energy: -36.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -457.347358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.347358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.347358 (E_RNA)
where:
Base-Base interactions energy: -328.156
where: short stacking energy: -141.459
Base-Backbone interact. energy: -0.042
local terms energy: -129.150038
where:
bonds (distance) C4'-P energy: -23.277
bonds (distance) P-C4' energy: -19.792
flat angles C4'-P-C4' energy: -21.852
flat angles P-C4'-P energy: -21.671
tors. eta vs tors. theta energy: -42.559
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: 2
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -457.062598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.062598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.062598 (E_RNA)
where:
Base-Base interactions energy: -313.249
where: short stacking energy: -146.806
Base-Backbone interact. energy: -0.063
local terms energy: -143.750612
where:
bonds (distance) C4'-P energy: -25.391
bonds (distance) P-C4' energy: -20.463
flat angles C4'-P-C4' energy: -33.625
flat angles P-C4'-P energy: -17.176
tors. eta vs tors. theta energy: -47.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -347.115410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.115410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.115410 (E_RNA)
where:
Base-Base interactions energy: -230.351
where: short stacking energy: -108.696
Base-Backbone interact. energy: -0.106
local terms energy: -116.659159
where:
bonds (distance) C4'-P energy: -22.132
bonds (distance) P-C4' energy: -25.041
flat angles C4'-P-C4' energy: -25.165
flat angles P-C4'-P energy: -18.912
tors. eta vs tors. theta energy: -25.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -310.034878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.034878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.034878 (E_RNA)
where:
Base-Base interactions energy: -209.721
where: short stacking energy: -84.458
Base-Backbone interact. energy: 0.272
local terms energy: -100.585752
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -22.772
flat angles C4'-P-C4' energy: -28.947
flat angles P-C4'-P energy: -19.196
tors. eta vs tors. theta energy: -14.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -206.783488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.783488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.783488 (E_RNA)
where:
Base-Base interactions energy: -121.155
where: short stacking energy: -65.824
Base-Backbone interact. energy: -0.102
local terms energy: -85.526878
where:
bonds (distance) C4'-P energy: -17.899
bonds (distance) P-C4' energy: -24.417
flat angles C4'-P-C4' energy: -28.822
flat angles P-C4'-P energy: -10.034
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: 10
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -135.950918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.950918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.950918 (E_RNA)
where:
Base-Base interactions energy: -59.608
where: short stacking energy: -42.658
Base-Backbone interact. energy: -0.223
local terms energy: -76.119612
where:
bonds (distance) C4'-P energy: -23.067
bonds (distance) P-C4' energy: -24.209
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -535.548892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.548892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.548892 (E_RNA)
where:
Base-Base interactions energy: -377.151
where: short stacking energy: -151.676
Base-Backbone interact. energy: -0.214
local terms energy: -158.183620
where:
bonds (distance) C4'-P energy: -27.150
bonds (distance) P-C4' energy: -27.576
flat angles C4'-P-C4' energy: -36.667
flat angles P-C4'-P energy: -22.900
tors. eta vs tors. theta energy: -43.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -532.196506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.196506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.196506 (E_RNA)
where:
Base-Base interactions energy: -374.772
where: short stacking energy: -152.844
Base-Backbone interact. energy: 0.108
local terms energy: -157.532314
where:
bonds (distance) C4'-P energy: -29.547
bonds (distance) P-C4' energy: -25.482
flat angles C4'-P-C4' energy: -30.044
flat angles P-C4'-P energy: -24.498
tors. eta vs tors. theta energy: -47.961
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: 3, replica: 6
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -524.893165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.893165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.893165 (E_RNA)
where:
Base-Base interactions energy: -383.178
where: short stacking energy: -159.193
Base-Backbone interact. energy: -0.548
local terms energy: -141.167401
where:
bonds (distance) C4'-P energy: -26.538
bonds (distance) P-C4' energy: -20.621
flat angles C4'-P-C4' energy: -30.811
flat angles P-C4'-P energy: -18.337
tors. eta vs tors. theta energy: -44.860
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: 3
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -455.517734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.517734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.517734 (E_RNA)
where:
Base-Base interactions energy: -311.176
where: short stacking energy: -132.931
Base-Backbone interact. energy: -0.179
local terms energy: -144.162872
where:
bonds (distance) C4'-P energy: -29.389
bonds (distance) P-C4' energy: -30.523
flat angles C4'-P-C4' energy: -22.522
flat angles P-C4'-P energy: -20.981
tors. eta vs tors. theta energy: -40.748
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: 9
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -458.643251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.643251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.643251 (E_RNA)
where:
Base-Base interactions energy: -314.961
where: short stacking energy: -142.974
Base-Backbone interact. energy: -0.064
local terms energy: -143.618619
where:
bonds (distance) C4'-P energy: -21.751
bonds (distance) P-C4' energy: -27.403
flat angles C4'-P-C4' energy: -29.502
flat angles P-C4'-P energy: -20.606
tors. eta vs tors. theta energy: -44.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -445.014854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.014854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.014854 (E_RNA)
where:
Base-Base interactions energy: -297.289
where: short stacking energy: -139.383
Base-Backbone interact. energy: -0.003
local terms energy: -147.723137
where:
bonds (distance) C4'-P energy: -28.569
bonds (distance) P-C4' energy: -23.980
flat angles C4'-P-C4' energy: -29.459
flat angles P-C4'-P energy: -22.478
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: 7, replica: 1
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -318.010351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.010351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.010351 (E_RNA)
where:
Base-Base interactions energy: -213.821
where: short stacking energy: -89.786
Base-Backbone interact. energy: 0.189
local terms energy: -104.377740
where:
bonds (distance) C4'-P energy: -23.407
bonds (distance) P-C4' energy: -22.376
flat angles C4'-P-C4' energy: -24.185
flat angles P-C4'-P energy: -14.952
tors. eta vs tors. theta energy: -19.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -337.151007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.151007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.151007 (E_RNA)
where:
Base-Base interactions energy: -219.628
where: short stacking energy: -84.432
Base-Backbone interact. energy: 3.072
local terms energy: -120.594921
where:
bonds (distance) C4'-P energy: -24.997
bonds (distance) P-C4' energy: -27.722
flat angles C4'-P-C4' energy: -26.327
flat angles P-C4'-P energy: -20.140
tors. eta vs tors. theta energy: -21.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -204.481084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.481084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.481084 (E_RNA)
where:
Base-Base interactions energy: -106.190
where: short stacking energy: -62.285
Base-Backbone interact. energy: -0.157
local terms energy: -98.133408
where:
bonds (distance) C4'-P energy: -25.121
bonds (distance) P-C4' energy: -21.672
flat angles C4'-P-C4' energy: -24.255
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -12.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -134.953187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.953187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.953187 (E_RNA)
where:
Base-Base interactions energy: -60.641
where: short stacking energy: -44.043
Base-Backbone interact. energy: 2.461
local terms energy: -76.773311
where:
bonds (distance) C4'-P energy: -20.186
bonds (distance) P-C4' energy: -29.851
flat angles C4'-P-C4' energy: -23.037
flat angles P-C4'-P energy: -7.366
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: 1, replica: 7
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -527.484679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.484679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.484679 (E_RNA)
where:
Base-Base interactions energy: -372.364
where: short stacking energy: -159.950
Base-Backbone interact. energy: -0.070
local terms energy: -155.050985
where:
bonds (distance) C4'-P energy: -27.621
bonds (distance) P-C4' energy: -28.386
flat angles C4'-P-C4' energy: -32.518
flat angles P-C4'-P energy: -22.948
tors. eta vs tors. theta energy: -43.577
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: 8
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -533.469371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.469371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.469371 (E_RNA)
where:
Base-Base interactions energy: -379.426
where: short stacking energy: -154.280
Base-Backbone interact. energy: -0.204
local terms energy: -153.838692
where:
bonds (distance) C4'-P energy: -25.392
bonds (distance) P-C4' energy: -27.987
flat angles C4'-P-C4' energy: -33.532
flat angles P-C4'-P energy: -21.775
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: 3, replica: 6
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -512.032504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.032504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.032504 (E_RNA)
where:
Base-Base interactions energy: -359.167
where: short stacking energy: -148.575
Base-Backbone interact. energy: -0.019
local terms energy: -152.846481
where:
bonds (distance) C4'-P energy: -23.920
bonds (distance) P-C4' energy: -27.769
flat angles C4'-P-C4' energy: -29.982
flat angles P-C4'-P energy: -27.504
tors. eta vs tors. theta energy: -43.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -447.011621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.011621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.011621 (E_RNA)
where:
Base-Base interactions energy: -298.835
where: short stacking energy: -123.003
Base-Backbone interact. energy: -0.217
local terms energy: -147.959996
where:
bonds (distance) C4'-P energy: -27.082
bonds (distance) P-C4' energy: -30.510
flat angles C4'-P-C4' energy: -34.330
flat angles P-C4'-P energy: -20.244
tors. eta vs tors. theta energy: -35.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -440.705437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.705437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.705437 (E_RNA)
where:
Base-Base interactions energy: -301.787
where: short stacking energy: -137.128
Base-Backbone interact. energy: -0.758
local terms energy: -138.161122
where:
bonds (distance) C4'-P energy: -29.303
bonds (distance) P-C4' energy: -22.091
flat angles C4'-P-C4' energy: -30.572
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -39.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -436.850414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.850414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.850414 (E_RNA)
where:
Base-Base interactions energy: -291.455
where: short stacking energy: -128.229
Base-Backbone interact. energy: -0.135
local terms energy: -145.259671
where:
bonds (distance) C4'-P energy: -26.462
bonds (distance) P-C4' energy: -32.542
flat angles C4'-P-C4' energy: -31.002
flat angles P-C4'-P energy: -18.134
tors. eta vs tors. theta energy: -37.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -368.329063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.329063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.329063 (E_RNA)
where:
Base-Base interactions energy: -250.541
where: short stacking energy: -110.387
Base-Backbone interact. energy: -0.635
local terms energy: -117.153088
where:
bonds (distance) C4'-P energy: -21.917
bonds (distance) P-C4' energy: -25.622
flat angles C4'-P-C4' energy: -30.798
flat angles P-C4'-P energy: -14.435
tors. eta vs tors. theta energy: -24.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -332.016040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.016040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.016040 (E_RNA)
where:
Base-Base interactions energy: -221.322
where: short stacking energy: -81.542
Base-Backbone interact. energy: -1.721
local terms energy: -108.973251
where:
bonds (distance) C4'-P energy: -27.145
bonds (distance) P-C4' energy: -28.875
flat angles C4'-P-C4' energy: -24.092
flat angles P-C4'-P energy: -13.047
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: 5
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -225.463179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.463179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.463179 (E_RNA)
where:
Base-Base interactions energy: -126.812
where: short stacking energy: -64.040
Base-Backbone interact. energy: 0.346
local terms energy: -98.997294
where:
bonds (distance) C4'-P energy: -24.115
bonds (distance) P-C4' energy: -25.255
flat angles C4'-P-C4' energy: -25.187
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -13.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -140.245495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.245495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.245495 (E_RNA)
where:
Base-Base interactions energy: -43.264
where: short stacking energy: -38.336
Base-Backbone interact. energy: -0.453
local terms energy: -96.528318
where:
bonds (distance) C4'-P energy: -23.709
bonds (distance) P-C4' energy: -31.314
flat angles C4'-P-C4' energy: -23.153
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -3.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -535.233552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.233552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.233552 (E_RNA)
where:
Base-Base interactions energy: -380.991
where: short stacking energy: -163.752
Base-Backbone interact. energy: -0.373
local terms energy: -153.870283
where:
bonds (distance) C4'-P energy: -21.906
bonds (distance) P-C4' energy: -27.852
flat angles C4'-P-C4' energy: -32.861
flat angles P-C4'-P energy: -21.958
tors. eta vs tors. theta energy: -49.294
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: 251
Temperature: 0.950000
Total energy: -521.364047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.364047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.364047 (E_RNA)
where:
Base-Base interactions energy: -367.816
where: short stacking energy: -153.616
Base-Backbone interact. energy: -0.499
local terms energy: -153.048825
where:
bonds (distance) C4'-P energy: -28.119
bonds (distance) P-C4' energy: -26.099
flat angles C4'-P-C4' energy: -32.041
flat angles P-C4'-P energy: -21.241
tors. eta vs tors. theta energy: -45.550
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: 3, replica: 8
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -527.515529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.515529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.515529 (E_RNA)
where:
Base-Base interactions energy: -371.360
where: short stacking energy: -160.773
Base-Backbone interact. energy: -0.017
local terms energy: -156.137696
where:
bonds (distance) C4'-P energy: -24.489
bonds (distance) P-C4' energy: -27.493
flat angles C4'-P-C4' energy: -32.669
flat angles P-C4'-P energy: -22.122
tors. eta vs tors. theta energy: -49.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -457.993149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.993149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.993149 (E_RNA)
where:
Base-Base interactions energy: -312.823
where: short stacking energy: -142.856
Base-Backbone interact. energy: -0.251
local terms energy: -144.919685
where:
bonds (distance) C4'-P energy: -26.044
bonds (distance) P-C4' energy: -29.350
flat angles C4'-P-C4' energy: -27.516
flat angles P-C4'-P energy: -20.996
tors. eta vs tors. theta energy: -41.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -426.645524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.645524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.645524 (E_RNA)
where:
Base-Base interactions energy: -286.330
where: short stacking energy: -124.755
Base-Backbone interact. energy: -0.299
local terms energy: -140.016526
where:
bonds (distance) C4'-P energy: -27.655
bonds (distance) P-C4' energy: -27.123
flat angles C4'-P-C4' energy: -32.056
flat angles P-C4'-P energy: -19.601
tors. eta vs tors. theta energy: -33.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -418.259514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.259514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.259514 (E_RNA)
where:
Base-Base interactions energy: -300.419
where: short stacking energy: -134.767
Base-Backbone interact. energy: -0.825
local terms energy: -117.015538
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -23.260
flat angles C4'-P-C4' energy: -31.384
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -32.412
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: 4
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -331.902124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.902124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.902124 (E_RNA)
where:
Base-Base interactions energy: -227.923
where: short stacking energy: -101.783
Base-Backbone interact. energy: 0.127
local terms energy: -104.106272
where:
bonds (distance) C4'-P energy: -24.147
bonds (distance) P-C4' energy: -20.224
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -23.134
tors. eta vs tors. theta energy: -22.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -368.750174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.750174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.750174 (E_RNA)
where:
Base-Base interactions energy: -259.087
where: short stacking energy: -101.984
Base-Backbone interact. energy: -0.258
local terms energy: -109.404308
where:
bonds (distance) C4'-P energy: -25.907
bonds (distance) P-C4' energy: -26.964
flat angles C4'-P-C4' energy: -25.483
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -19.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -216.866463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.866463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.866463 (E_RNA)
where:
Base-Base interactions energy: -120.837
where: short stacking energy: -73.560
Base-Backbone interact. energy: -0.409
local terms energy: -95.620487
where:
bonds (distance) C4'-P energy: -19.175
bonds (distance) P-C4' energy: -24.609
flat angles C4'-P-C4' energy: -24.527
flat angles P-C4'-P energy: -18.544
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: 10
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -132.696521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.696521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.696521 (E_RNA)
where:
Base-Base interactions energy: -41.039
where: short stacking energy: -40.939
Base-Backbone interact. energy: -0.553
local terms energy: -91.105008
where:
bonds (distance) C4'-P energy: -23.387
bonds (distance) P-C4' energy: -31.597
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -14.446
tors. eta vs tors. theta energy: -0.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -528.573178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.573178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.573178 (E_RNA)
where:
Base-Base interactions energy: -374.412
where: short stacking energy: -149.211
Base-Backbone interact. energy: -0.164
local terms energy: -153.997317
where:
bonds (distance) C4'-P energy: -26.521
bonds (distance) P-C4' energy: -23.429
flat angles C4'-P-C4' energy: -34.168
flat angles P-C4'-P energy: -25.268
tors. eta vs tors. theta energy: -44.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -532.226285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.226285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.226285 (E_RNA)
where:
Base-Base interactions energy: -373.041
where: short stacking energy: -159.430
Base-Backbone interact. energy: -0.063
local terms energy: -159.122330
where:
bonds (distance) C4'-P energy: -29.779
bonds (distance) P-C4' energy: -25.124
flat angles C4'-P-C4' energy: -35.233
flat angles P-C4'-P energy: -20.952
tors. eta vs tors. theta energy: -48.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -527.048531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.048531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.048531 (E_RNA)
where:
Base-Base interactions energy: -368.957
where: short stacking energy: -157.214
Base-Backbone interact. energy: -0.002
local terms energy: -158.089176
where:
bonds (distance) C4'-P energy: -25.513
bonds (distance) P-C4' energy: -29.743
flat angles C4'-P-C4' energy: -29.944
flat angles P-C4'-P energy: -25.972
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: 4, replica: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -461.372552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.372552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.372552 (E_RNA)
where:
Base-Base interactions energy: -308.439
where: short stacking energy: -139.418
Base-Backbone interact. energy: -1.150
local terms energy: -151.783742
where:
bonds (distance) C4'-P energy: -29.572
bonds (distance) P-C4' energy: -29.994
flat angles C4'-P-C4' energy: -26.166
flat angles P-C4'-P energy: -21.607
tors. eta vs tors. theta energy: -44.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -427.572590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.572590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.572590 (E_RNA)
where:
Base-Base interactions energy: -302.173
where: short stacking energy: -118.899
Base-Backbone interact. energy: -0.259
local terms energy: -125.140319
where:
bonds (distance) C4'-P energy: -20.035
bonds (distance) P-C4' energy: -25.948
flat angles C4'-P-C4' energy: -26.316
flat angles P-C4'-P energy: -21.361
tors. eta vs tors. theta energy: -31.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -457.008678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.008678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.008678 (E_RNA)
where:
Base-Base interactions energy: -327.069
where: short stacking energy: -118.540
Base-Backbone interact. energy: -1.882
local terms energy: -128.057521
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -26.083
flat angles C4'-P-C4' energy: -30.551
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -36.785
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: 7, replica: 4
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -374.796822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.796822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.796822 (E_RNA)
where:
Base-Base interactions energy: -271.744
where: short stacking energy: -104.129
Base-Backbone interact. energy: -0.298
local terms energy: -102.754979
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -24.031
flat angles C4'-P-C4' energy: -29.508
flat angles P-C4'-P energy: -6.471
tors. eta vs tors. theta energy: -26.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -381.732573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.732573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.732573 (E_RNA)
where:
Base-Base interactions energy: -252.555
where: short stacking energy: -112.407
Base-Backbone interact. energy: -0.340
local terms energy: -128.837854
where:
bonds (distance) C4'-P energy: -28.219
bonds (distance) P-C4' energy: -28.368
flat angles C4'-P-C4' energy: -23.278
flat angles P-C4'-P energy: -20.450
tors. eta vs tors. theta energy: -28.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -252.998895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.998895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.998895 (E_RNA)
where:
Base-Base interactions energy: -160.882
where: short stacking energy: -83.391
Base-Backbone interact. energy: -0.441
local terms energy: -91.676518
where:
bonds (distance) C4'-P energy: -26.283
bonds (distance) P-C4' energy: -12.216
flat angles C4'-P-C4' energy: -22.731
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -20.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -137.762406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.762406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.762406 (E_RNA)
where:
Base-Base interactions energy: -50.532
where: short stacking energy: -44.563
Base-Backbone interact. energy: 0.247
local terms energy: -87.477519
where:
bonds (distance) C4'-P energy: -24.123
bonds (distance) P-C4' energy: -27.812
flat angles C4'-P-C4' energy: -28.729
flat angles P-C4'-P energy: -4.591
tors. eta vs tors. theta energy: -2.222
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: 6
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -532.043269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.043269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.043269 (E_RNA)
where:
Base-Base interactions energy: -373.012
where: short stacking energy: -152.973
Base-Backbone interact. energy: -0.004
local terms energy: -159.026827
where:
bonds (distance) C4'-P energy: -28.703
bonds (distance) P-C4' energy: -26.655
flat angles C4'-P-C4' energy: -33.896
flat angles P-C4'-P energy: -23.927
tors. eta vs tors. theta energy: -45.846
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: 7
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -523.272587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.272587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.272587 (E_RNA)
where:
Base-Base interactions energy: -364.239
where: short stacking energy: -159.939
Base-Backbone interact. energy: -0.031
local terms energy: -159.002761
where:
bonds (distance) C4'-P energy: -24.473
bonds (distance) P-C4' energy: -31.794
flat angles C4'-P-C4' energy: -32.297
flat angles P-C4'-P energy: -21.924
tors. eta vs tors. theta energy: -48.516
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: 8
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -528.038132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.038132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.038132 (E_RNA)
where:
Base-Base interactions energy: -373.113
where: short stacking energy: -157.543
Base-Backbone interact. energy: -0.025
local terms energy: -154.899528
where:
bonds (distance) C4'-P energy: -28.320
bonds (distance) P-C4' energy: -30.680
flat angles C4'-P-C4' energy: -29.493
flat angles P-C4'-P energy: -20.454
tors. eta vs tors. theta energy: -45.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -458.733038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.733038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.733038 (E_RNA)
where:
Base-Base interactions energy: -312.129
where: short stacking energy: -122.693
Base-Backbone interact. energy: -1.432
local terms energy: -145.172586
where:
bonds (distance) C4'-P energy: -23.611
bonds (distance) P-C4' energy: -33.210
flat angles C4'-P-C4' energy: -32.526
flat angles P-C4'-P energy: -23.643
tors. eta vs tors. theta energy: -32.183
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: 2
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -453.385090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.385090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.385090 (E_RNA)
where:
Base-Base interactions energy: -304.982
where: short stacking energy: -133.321
Base-Backbone interact. energy: -1.172
local terms energy: -147.231069
where:
bonds (distance) C4'-P energy: -20.192
bonds (distance) P-C4' energy: -28.675
flat angles C4'-P-C4' energy: -30.683
flat angles P-C4'-P energy: -24.187
tors. eta vs tors. theta energy: -43.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -433.955350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.955350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.955350 (E_RNA)
where:
Base-Base interactions energy: -314.653
where: short stacking energy: -121.984
Base-Backbone interact. energy: -0.719
local terms energy: -118.584203
where:
bonds (distance) C4'-P energy: -22.627
bonds (distance) P-C4' energy: -23.751
flat angles C4'-P-C4' energy: -23.420
flat angles P-C4'-P energy: -14.600
tors. eta vs tors. theta energy: -34.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -343.469662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.469662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.469662 (E_RNA)
where:
Base-Base interactions energy: -225.636
where: short stacking energy: -84.654
Base-Backbone interact. energy: -0.868
local terms energy: -116.965704
where:
bonds (distance) C4'-P energy: -26.865
bonds (distance) P-C4' energy: -30.126
flat angles C4'-P-C4' energy: -24.699
flat angles P-C4'-P energy: -20.433
tors. eta vs tors. theta energy: -14.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -375.056725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.056725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.056725 (E_RNA)
where:
Base-Base interactions energy: -256.398
where: short stacking energy: -106.304
Base-Backbone interact. energy: -0.572
local terms energy: -118.086005
where:
bonds (distance) C4'-P energy: -28.595
bonds (distance) P-C4' energy: -21.762
flat angles C4'-P-C4' energy: -29.946
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -25.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -213.160490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.160490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.160490 (E_RNA)
where:
Base-Base interactions energy: -121.131
where: short stacking energy: -61.107
Base-Backbone interact. energy: -2.685
local terms energy: -89.344609
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -22.107
flat angles C4'-P-C4' energy: -22.113
flat angles P-C4'-P energy: -20.389
tors. eta vs tors. theta energy: -10.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -130.213525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.213525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.213525 (E_RNA)
where:
Base-Base interactions energy: -37.222
where: short stacking energy: -37.201
Base-Backbone interact. energy: -0.739
local terms energy: -92.252631
where:
bonds (distance) C4'-P energy: -20.562
bonds (distance) P-C4' energy: -30.195
flat angles C4'-P-C4' energy: -24.732
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -534.148148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.148148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.148148 (E_RNA)
where:
Base-Base interactions energy: -370.587
where: short stacking energy: -157.545
Base-Backbone interact. energy: -0.036
local terms energy: -163.525691
where:
bonds (distance) C4'-P energy: -30.592
bonds (distance) P-C4' energy: -33.344
flat angles C4'-P-C4' energy: -31.240
flat angles P-C4'-P energy: -20.846
tors. eta vs tors. theta energy: -47.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -518.346500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.346500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.346500 (E_RNA)
where:
Base-Base interactions energy: -357.361
where: short stacking energy: -150.492
Base-Backbone interact. energy: -0.011
local terms energy: -160.974879
where:
bonds (distance) C4'-P energy: -29.555
bonds (distance) P-C4' energy: -28.476
flat angles C4'-P-C4' energy: -32.188
flat angles P-C4'-P energy: -23.140
tors. eta vs tors. theta energy: -47.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -512.794172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.794172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.794172 (E_RNA)
where:
Base-Base interactions energy: -363.662
where: short stacking energy: -154.254
Base-Backbone interact. energy: -0.095
local terms energy: -149.036557
where:
bonds (distance) C4'-P energy: -24.829
bonds (distance) P-C4' energy: -28.231
flat angles C4'-P-C4' energy: -29.496
flat angles P-C4'-P energy: -22.229
tors. eta vs tors. theta energy: -44.252
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: 254
Temperature: 1.050000
Total energy: -453.700641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.700641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.700641 (E_RNA)
where:
Base-Base interactions energy: -316.582
where: short stacking energy: -127.455
Base-Backbone interact. energy: 0.806
local terms energy: -137.924211
where:
bonds (distance) C4'-P energy: -33.199
bonds (distance) P-C4' energy: -30.116
flat angles C4'-P-C4' energy: -25.427
flat angles P-C4'-P energy: -15.625
tors. eta vs tors. theta energy: -33.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -453.745737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.745737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.745737 (E_RNA)
where:
Base-Base interactions energy: -310.598
where: short stacking energy: -131.653
Base-Backbone interact. energy: -0.385
local terms energy: -142.762673
where:
bonds (distance) C4'-P energy: -23.825
bonds (distance) P-C4' energy: -30.176
flat angles C4'-P-C4' energy: -30.489
flat angles P-C4'-P energy: -21.571
tors. eta vs tors. theta energy: -36.701
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: 3
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -435.699010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.699010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.699010 (E_RNA)
where:
Base-Base interactions energy: -295.823
where: short stacking energy: -123.979
Base-Backbone interact. energy: -1.139
local terms energy: -138.736927
where:
bonds (distance) C4'-P energy: -27.767
bonds (distance) P-C4' energy: -29.281
flat angles C4'-P-C4' energy: -26.766
flat angles P-C4'-P energy: -23.231
tors. eta vs tors. theta energy: -31.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -386.838690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.838690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.838690 (E_RNA)
where:
Base-Base interactions energy: -261.201
where: short stacking energy: -107.109
Base-Backbone interact. energy: -0.736
local terms energy: -124.902251
where:
bonds (distance) C4'-P energy: -20.853
bonds (distance) P-C4' energy: -23.273
flat angles C4'-P-C4' energy: -25.494
flat angles P-C4'-P energy: -22.003
tors. eta vs tors. theta energy: -33.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -327.880996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.880996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.880996 (E_RNA)
where:
Base-Base interactions energy: -216.050
where: short stacking energy: -102.583
Base-Backbone interact. energy: -0.323
local terms energy: -111.507961
where:
bonds (distance) C4'-P energy: -24.911
bonds (distance) P-C4' energy: -24.711
flat angles C4'-P-C4' energy: -23.691
flat angles P-C4'-P energy: -13.556
tors. eta vs tors. theta energy: -24.639
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: 9, replica: 5
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -205.523547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.523547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.523547 (E_RNA)
where:
Base-Base interactions energy: -117.470
where: short stacking energy: -57.335
Base-Backbone interact. energy: -0.553
local terms energy: -87.500487
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -27.561
flat angles P-C4'-P energy: -16.836
tors. eta vs tors. theta energy: -4.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -211.830315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.830315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.830315 (E_RNA)
where:
Base-Base interactions energy: -119.980
where: short stacking energy: -67.634
Base-Backbone interact. energy: -0.630
local terms energy: -91.220573
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -30.515
flat angles C4'-P-C4' energy: -22.299
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -6.881
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: 7
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -530.399726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.399726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.399726 (E_RNA)
where:
Base-Base interactions energy: -378.240
where: short stacking energy: -148.778
Base-Backbone interact. energy: -0.620
local terms energy: -151.539428
where:
bonds (distance) C4'-P energy: -26.468
bonds (distance) P-C4' energy: -26.161
flat angles C4'-P-C4' energy: -27.838
flat angles P-C4'-P energy: -24.975
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: 2, replica: 6
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -527.434984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.434984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.434984 (E_RNA)
where:
Base-Base interactions energy: -369.516
where: short stacking energy: -152.078
Base-Backbone interact. energy: -0.477
local terms energy: -157.442079
where:
bonds (distance) C4'-P energy: -31.017
bonds (distance) P-C4' energy: -23.559
flat angles C4'-P-C4' energy: -29.854
flat angles P-C4'-P energy: -25.469
tors. eta vs tors. theta energy: -47.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -518.816475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.816475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.816475 (E_RNA)
where:
Base-Base interactions energy: -365.361
where: short stacking energy: -149.800
Base-Backbone interact. energy: -0.135
local terms energy: -153.320768
where:
bonds (distance) C4'-P energy: -26.940
bonds (distance) P-C4' energy: -25.525
flat angles C4'-P-C4' energy: -30.647
flat angles P-C4'-P energy: -24.775
tors. eta vs tors. theta energy: -45.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -456.699252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.699252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.699252 (E_RNA)
where:
Base-Base interactions energy: -318.258
where: short stacking energy: -141.334
Base-Backbone interact. energy: -0.483
local terms energy: -137.958298
where:
bonds (distance) C4'-P energy: -24.775
bonds (distance) P-C4' energy: -23.281
flat angles C4'-P-C4' energy: -34.547
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -38.429
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: 9
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -443.415718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.415718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.415718 (E_RNA)
where:
Base-Base interactions energy: -311.440
where: short stacking energy: -113.959
Base-Backbone interact. energy: -0.887
local terms energy: -131.089143
where:
bonds (distance) C4'-P energy: -30.751
bonds (distance) P-C4' energy: -23.920
flat angles C4'-P-C4' energy: -24.663
flat angles P-C4'-P energy: -21.754
tors. eta vs tors. theta energy: -30.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -423.887421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.887421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.887421 (E_RNA)
where:
Base-Base interactions energy: -291.137
where: short stacking energy: -117.663
Base-Backbone interact. energy: -1.353
local terms energy: -131.396720
where:
bonds (distance) C4'-P energy: -19.859
bonds (distance) P-C4' energy: -32.122
flat angles C4'-P-C4' energy: -29.082
flat angles P-C4'-P energy: -17.939
tors. eta vs tors. theta energy: -32.393
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: 1
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -389.807088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.807088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.807088 (E_RNA)
where:
Base-Base interactions energy: -258.926
where: short stacking energy: -105.829
Base-Backbone interact. energy: -1.601
local terms energy: -129.279915
where:
bonds (distance) C4'-P energy: -24.912
bonds (distance) P-C4' energy: -22.976
flat angles C4'-P-C4' energy: -31.929
flat angles P-C4'-P energy: -19.782
tors. eta vs tors. theta energy: -29.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -347.560595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.560595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.560595 (E_RNA)
where:
Base-Base interactions energy: -231.950
where: short stacking energy: -92.811
Base-Backbone interact. energy: -0.165
local terms energy: -115.445357
where:
bonds (distance) C4'-P energy: -30.464
bonds (distance) P-C4' energy: -19.928
flat angles C4'-P-C4' energy: -23.472
flat angles P-C4'-P energy: -19.565
tors. eta vs tors. theta energy: -22.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -224.063156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.063156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.063156 (E_RNA)
where:
Base-Base interactions energy: -131.400
where: short stacking energy: -63.722
Base-Backbone interact. energy: 0.854
local terms energy: -93.517556
where:
bonds (distance) C4'-P energy: -22.079
bonds (distance) P-C4' energy: -21.681
flat angles C4'-P-C4' energy: -31.004
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -9.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -226.108737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.108737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.108737 (E_RNA)
where:
Base-Base interactions energy: -140.499
where: short stacking energy: -64.087
Base-Backbone interact. energy: -0.925
local terms energy: -84.685059
where:
bonds (distance) C4'-P energy: -21.170
bonds (distance) P-C4' energy: -27.162
flat angles C4'-P-C4' energy: -18.363
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -4.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -532.308667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.308667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.308667 (E_RNA)
where:
Base-Base interactions energy: -369.106
where: short stacking energy: -155.370
Base-Backbone interact. energy: -0.125
local terms energy: -163.077406
where:
bonds (distance) C4'-P energy: -26.707
bonds (distance) P-C4' energy: -32.030
flat angles C4'-P-C4' energy: -29.221
flat angles P-C4'-P energy: -25.951
tors. eta vs tors. theta energy: -49.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -531.435547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.435547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.435547 (E_RNA)
where:
Base-Base interactions energy: -377.355
where: short stacking energy: -150.258
Base-Backbone interact. energy: -0.971
local terms energy: -153.108928
where:
bonds (distance) C4'-P energy: -26.518
bonds (distance) P-C4' energy: -29.153
flat angles C4'-P-C4' energy: -28.940
flat angles P-C4'-P energy: -23.312
tors. eta vs tors. theta energy: -45.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -528.807535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.807535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.807535 (E_RNA)
where:
Base-Base interactions energy: -376.718
where: short stacking energy: -159.875
Base-Backbone interact. energy: -0.131
local terms energy: -151.958719
where:
bonds (distance) C4'-P energy: -23.866
bonds (distance) P-C4' energy: -22.630
flat angles C4'-P-C4' energy: -32.117
flat angles P-C4'-P energy: -25.643
tors. eta vs tors. theta energy: -47.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -469.114269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.114269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.114269 (E_RNA)
where:
Base-Base interactions energy: -319.563
where: short stacking energy: -139.548
Base-Backbone interact. energy: -0.307
local terms energy: -149.244255
where:
bonds (distance) C4'-P energy: -31.431
bonds (distance) P-C4' energy: -28.815
flat angles C4'-P-C4' energy: -29.675
flat angles P-C4'-P energy: -16.666
tors. eta vs tors. theta energy: -42.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -435.014858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.014858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.014858 (E_RNA)
where:
Base-Base interactions energy: -296.031
where: short stacking energy: -121.508
Base-Backbone interact. energy: -0.318
local terms energy: -138.666214
where:
bonds (distance) C4'-P energy: -30.395
bonds (distance) P-C4' energy: -26.897
flat angles C4'-P-C4' energy: -23.804
flat angles P-C4'-P energy: -21.309
tors. eta vs tors. theta energy: -36.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -429.306966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.306966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.306966 (E_RNA)
where:
Base-Base interactions energy: -303.381
where: short stacking energy: -117.992
Base-Backbone interact. energy: -0.331
local terms energy: -125.595100
where:
bonds (distance) C4'-P energy: -21.320
bonds (distance) P-C4' energy: -24.022
flat angles C4'-P-C4' energy: -25.269
flat angles P-C4'-P energy: -23.791
tors. eta vs tors. theta energy: -31.193
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: 7, replica: 4
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -355.329516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.329516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.329516 (E_RNA)
where:
Base-Base interactions energy: -246.704
where: short stacking energy: -99.341
Base-Backbone interact. energy: -0.940
local terms energy: -107.685673
where:
bonds (distance) C4'-P energy: -20.633
bonds (distance) P-C4' energy: -20.249
flat angles C4'-P-C4' energy: -28.215
flat angles P-C4'-P energy: -18.549
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: 8, replica: 1
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -372.041531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.041531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.041531 (E_RNA)
where:
Base-Base interactions energy: -266.605
where: short stacking energy: -112.876
Base-Backbone interact. energy: -0.620
local terms energy: -104.816183
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -20.086
flat angles C4'-P-C4' energy: -21.808
flat angles P-C4'-P energy: -18.521
tors. eta vs tors. theta energy: -27.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -270.037050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.037050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.037050 (E_RNA)
where:
Base-Base interactions energy: -171.411
where: short stacking energy: -79.310
Base-Backbone interact. energy: 0.387
local terms energy: -99.013202
where:
bonds (distance) C4'-P energy: -21.272
bonds (distance) P-C4' energy: -23.001
flat angles C4'-P-C4' energy: -26.479
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -18.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -204.399880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.399880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.399880 (E_RNA)
where:
Base-Base interactions energy: -98.959
where: short stacking energy: -45.640
Base-Backbone interact. energy: -0.161
local terms energy: -105.279365
where:
bonds (distance) C4'-P energy: -24.298
bonds (distance) P-C4' energy: -32.294
flat angles C4'-P-C4' energy: -22.354
flat angles P-C4'-P energy: -18.463
tors. eta vs tors. theta energy: -7.870
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: 6
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -529.817589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.817589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.817589 (E_RNA)
where:
Base-Base interactions energy: -384.135
where: short stacking energy: -164.399
Base-Backbone interact. energy: -0.048
local terms energy: -145.633753
where:
bonds (distance) C4'-P energy: -24.827
bonds (distance) P-C4' energy: -26.225
flat angles C4'-P-C4' energy: -28.245
flat angles P-C4'-P energy: -20.397
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: 2, replica: 8
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -531.132120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.132120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.132120 (E_RNA)
where:
Base-Base interactions energy: -376.437
where: short stacking energy: -157.200
Base-Backbone interact. energy: -0.103
local terms energy: -154.592733
where:
bonds (distance) C4'-P energy: -22.491
bonds (distance) P-C4' energy: -28.587
flat angles C4'-P-C4' energy: -32.153
flat angles P-C4'-P energy: -22.644
tors. eta vs tors. theta energy: -48.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -511.823283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.823283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.823283 (E_RNA)
where:
Base-Base interactions energy: -363.076
where: short stacking energy: -147.643
Base-Backbone interact. energy: 0.635
local terms energy: -149.382028
where:
bonds (distance) C4'-P energy: -23.987
bonds (distance) P-C4' energy: -26.032
flat angles C4'-P-C4' energy: -29.318
flat angles P-C4'-P energy: -26.961
tors. eta vs tors. theta energy: -43.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -438.934943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.934943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.934943 (E_RNA)
where:
Base-Base interactions energy: -302.257
where: short stacking energy: -132.622
Base-Backbone interact. energy: -0.123
local terms energy: -136.555464
where:
bonds (distance) C4'-P energy: -24.161
bonds (distance) P-C4' energy: -23.685
flat angles C4'-P-C4' energy: -29.359
flat angles P-C4'-P energy: -22.888
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: 5, replica: 3
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -443.336329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.336329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.336329 (E_RNA)
where:
Base-Base interactions energy: -300.346
where: short stacking energy: -127.101
Base-Backbone interact. energy: 1.042
local terms energy: -144.032145
where:
bonds (distance) C4'-P energy: -25.718
bonds (distance) P-C4' energy: -31.340
flat angles C4'-P-C4' energy: -29.325
flat angles P-C4'-P energy: -21.477
tors. eta vs tors. theta energy: -36.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -418.661706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.661706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.661706 (E_RNA)
where:
Base-Base interactions energy: -290.777
where: short stacking energy: -124.124
Base-Backbone interact. energy: 1.552
local terms energy: -129.436154
where:
bonds (distance) C4'-P energy: -21.381
bonds (distance) P-C4' energy: -28.614
flat angles C4'-P-C4' energy: -27.212
flat angles P-C4'-P energy: -20.028
tors. eta vs tors. theta energy: -32.201
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: 4
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -355.680115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.680115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.680115 (E_RNA)
where:
Base-Base interactions energy: -237.275
where: short stacking energy: -106.948
Base-Backbone interact. energy: -0.373
local terms energy: -118.032211
where:
bonds (distance) C4'-P energy: -23.776
bonds (distance) P-C4' energy: -26.314
flat angles C4'-P-C4' energy: -28.526
flat angles P-C4'-P energy: -18.587
tors. eta vs tors. theta energy: -20.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -327.392714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.392714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.392714 (E_RNA)
where:
Base-Base interactions energy: -219.291
where: short stacking energy: -98.611
Base-Backbone interact. energy: -0.093
local terms energy: -108.008656
where:
bonds (distance) C4'-P energy: -24.390
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -30.498
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -22.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -236.830755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.830755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.830755 (E_RNA)
where:
Base-Base interactions energy: -133.046
where: short stacking energy: -70.382
Base-Backbone interact. energy: -0.369
local terms energy: -103.415310
where:
bonds (distance) C4'-P energy: -25.782
bonds (distance) P-C4' energy: -27.978
flat angles C4'-P-C4' energy: -29.245
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -8.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -204.383247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.383247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.383247 (E_RNA)
where:
Base-Base interactions energy: -126.343
where: short stacking energy: -65.481
Base-Backbone interact. energy: 4.679
local terms energy: -82.718846
where:
bonds (distance) C4'-P energy: -25.093
bonds (distance) P-C4' energy: -27.639
flat angles C4'-P-C4' energy: -21.721
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: 1.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -536.412271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.412271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.412271 (E_RNA)
where:
Base-Base interactions energy: -371.187
where: short stacking energy: -160.767
Base-Backbone interact. energy: -0.018
local terms energy: -165.206867
where:
bonds (distance) C4'-P energy: -31.629
bonds (distance) P-C4' energy: -25.333
flat angles C4'-P-C4' energy: -33.214
flat angles P-C4'-P energy: -25.327
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: 6
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -528.769351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.769351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.769351 (E_RNA)
where:
Base-Base interactions energy: -377.086
where: short stacking energy: -157.273
Base-Backbone interact. energy: -0.067
local terms energy: -151.615776
where:
bonds (distance) C4'-P energy: -27.075
bonds (distance) P-C4' energy: -29.089
flat angles C4'-P-C4' energy: -25.356
flat angles P-C4'-P energy: -25.908
tors. eta vs tors. theta energy: -44.188
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: 7
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -504.000343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.000343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.000343 (E_RNA)
where:
Base-Base interactions energy: -367.386
where: short stacking energy: -149.094
Base-Backbone interact. energy: -0.197
local terms energy: -136.417758
where:
bonds (distance) C4'-P energy: -23.072
bonds (distance) P-C4' energy: -26.005
flat angles C4'-P-C4' energy: -27.931
flat angles P-C4'-P energy: -15.561
tors. eta vs tors. theta energy: -43.849
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: 2
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -440.651155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.651155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.651155 (E_RNA)
where:
Base-Base interactions energy: -292.087
where: short stacking energy: -135.492
Base-Backbone interact. energy: -1.719
local terms energy: -146.845178
where:
bonds (distance) C4'-P energy: -22.112
bonds (distance) P-C4' energy: -31.597
flat angles C4'-P-C4' energy: -31.130
flat angles P-C4'-P energy: -24.453
tors. eta vs tors. theta energy: -37.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -439.194396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.194396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.194396 (E_RNA)
where:
Base-Base interactions energy: -310.108
where: short stacking energy: -119.718
Base-Backbone interact. energy: -0.521
local terms energy: -128.565550
where:
bonds (distance) C4'-P energy: -27.097
bonds (distance) P-C4' energy: -25.799
flat angles C4'-P-C4' energy: -31.641
flat angles P-C4'-P energy: -16.178
tors. eta vs tors. theta energy: -27.851
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: 3
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -433.730968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.730968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.730968 (E_RNA)
where:
Base-Base interactions energy: -300.730
where: short stacking energy: -110.716
Base-Backbone interact. energy: 0.578
local terms energy: -133.579237
where:
bonds (distance) C4'-P energy: -26.704
bonds (distance) P-C4' energy: -25.192
flat angles C4'-P-C4' energy: -30.043
flat angles P-C4'-P energy: -22.288
tors. eta vs tors. theta energy: -29.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -322.943822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.943822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.943822 (E_RNA)
where:
Base-Base interactions energy: -213.411
where: short stacking energy: -92.177
Base-Backbone interact. energy: -0.781
local terms energy: -108.751907
where:
bonds (distance) C4'-P energy: -24.145
bonds (distance) P-C4' energy: -23.888
flat angles C4'-P-C4' energy: -25.922
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -23.103
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: 4
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -360.688687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.688687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.688687 (E_RNA)
where:
Base-Base interactions energy: -248.499
where: short stacking energy: -103.058
Base-Backbone interact. energy: -0.534
local terms energy: -111.655690
where:
bonds (distance) C4'-P energy: -19.954
bonds (distance) P-C4' energy: -26.528
flat angles C4'-P-C4' energy: -25.490
flat angles P-C4'-P energy: -18.043
tors. eta vs tors. theta energy: -21.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -200.812302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.812302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.812302 (E_RNA)
where:
Base-Base interactions energy: -98.016
where: short stacking energy: -51.283
Base-Backbone interact. energy: 0.131
local terms energy: -102.927881
where:
bonds (distance) C4'-P energy: -26.134
bonds (distance) P-C4' energy: -23.256
flat angles C4'-P-C4' energy: -23.984
flat angles P-C4'-P energy: -21.992
tors. eta vs tors. theta energy: -7.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -208.512639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.512639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.512639 (E_RNA)
where:
Base-Base interactions energy: -122.052
where: short stacking energy: -64.303
Base-Backbone interact. energy: -0.244
local terms energy: -86.216311
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -25.811
flat angles C4'-P-C4' energy: -21.983
flat angles P-C4'-P energy: -15.167
tors. eta vs tors. theta energy: -6.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -536.474066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.474066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.474066 (E_RNA)
where:
Base-Base interactions energy: -372.343
where: short stacking energy: -153.357
Base-Backbone interact. energy: -0.417
local terms energy: -163.713764
where:
bonds (distance) C4'-P energy: -32.204
bonds (distance) P-C4' energy: -25.987
flat angles C4'-P-C4' energy: -30.947
flat angles P-C4'-P energy: -27.917
tors. eta vs tors. theta energy: -46.658
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: 6
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -524.005060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.005060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.005060 (E_RNA)
where:
Base-Base interactions energy: -369.284
where: short stacking energy: -144.138
Base-Backbone interact. energy: -1.373
local terms energy: -153.347610
where:
bonds (distance) C4'-P energy: -29.027
bonds (distance) P-C4' energy: -24.651
flat angles C4'-P-C4' energy: -30.861
flat angles P-C4'-P energy: -25.071
tors. eta vs tors. theta energy: -43.737
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: 7
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -512.950647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.950647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.950647 (E_RNA)
where:
Base-Base interactions energy: -358.313
where: short stacking energy: -152.797
Base-Backbone interact. energy: -0.638
local terms energy: -153.999253
where:
bonds (distance) C4'-P energy: -32.023
bonds (distance) P-C4' energy: -27.916
flat angles C4'-P-C4' energy: -30.030
flat angles P-C4'-P energy: -18.620
tors. eta vs tors. theta energy: -45.411
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: 4, replica: 9
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -488.835301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.835301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.835301 (E_RNA)
where:
Base-Base interactions energy: -336.496
where: short stacking energy: -143.110
Base-Backbone interact. energy: -0.266
local terms energy: -152.073434
where:
bonds (distance) C4'-P energy: -28.904
bonds (distance) P-C4' energy: -23.254
flat angles C4'-P-C4' energy: -28.182
flat angles P-C4'-P energy: -27.125
tors. eta vs tors. theta energy: -44.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -444.111422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.111422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.111422 (E_RNA)
where:
Base-Base interactions energy: -299.521
where: short stacking energy: -136.765
Base-Backbone interact. energy: -1.686
local terms energy: -142.904659
where:
bonds (distance) C4'-P energy: -21.763
bonds (distance) P-C4' energy: -27.288
flat angles C4'-P-C4' energy: -32.438
flat angles P-C4'-P energy: -18.234
tors. eta vs tors. theta energy: -43.181
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: 3
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -419.200209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.200209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.200209 (E_RNA)
where:
Base-Base interactions energy: -299.091
where: short stacking energy: -106.702
Base-Backbone interact. energy: -0.272
local terms energy: -119.836814
where:
bonds (distance) C4'-P energy: -19.016
bonds (distance) P-C4' energy: -22.353
flat angles C4'-P-C4' energy: -27.550
flat angles P-C4'-P energy: -20.354
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: 7, replica: 1
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -349.699918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.699918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.699918 (E_RNA)
where:
Base-Base interactions energy: -234.122
where: short stacking energy: -105.433
Base-Backbone interact. energy: -1.121
local terms energy: -114.457073
where:
bonds (distance) C4'-P energy: -18.431
bonds (distance) P-C4' energy: -28.762
flat angles C4'-P-C4' energy: -22.661
flat angles P-C4'-P energy: -20.966
tors. eta vs tors. theta energy: -23.636
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: 4
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -289.046801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.046801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.046801 (E_RNA)
where:
Base-Base interactions energy: -183.956
where: short stacking energy: -89.143
Base-Backbone interact. energy: -0.678
local terms energy: -104.412867
where:
bonds (distance) C4'-P energy: -29.175
bonds (distance) P-C4' energy: -21.769
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -18.583
tors. eta vs tors. theta energy: -17.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -213.212324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.212324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.212324 (E_RNA)
where:
Base-Base interactions energy: -112.135
where: short stacking energy: -55.125
Base-Backbone interact. energy: -0.286
local terms energy: -100.791264
where:
bonds (distance) C4'-P energy: -31.352
bonds (distance) P-C4' energy: -25.398
flat angles C4'-P-C4' energy: -26.188
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -7.184
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: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -214.835091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.835091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.835091 (E_RNA)
where:
Base-Base interactions energy: -124.905
where: short stacking energy: -70.707
Base-Backbone interact. energy: -0.194
local terms energy: -89.736066
where:
bonds (distance) C4'-P energy: -24.988
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -20.054
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -10.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -531.383508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.383508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.383508 (E_RNA)
where:
Base-Base interactions energy: -375.835
where: short stacking energy: -158.145
Base-Backbone interact. energy: -0.006
local terms energy: -155.542277
where:
bonds (distance) C4'-P energy: -24.762
bonds (distance) P-C4' energy: -28.012
flat angles C4'-P-C4' energy: -32.307
flat angles P-C4'-P energy: -26.318
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: 260
Temperature: 0.950000
Total energy: -530.430275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.430275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.430275 (E_RNA)
where:
Base-Base interactions energy: -378.081
where: short stacking energy: -155.009
Base-Backbone interact. energy: 0.125
local terms energy: -152.473962
where:
bonds (distance) C4'-P energy: -25.308
bonds (distance) P-C4' energy: -27.545
flat angles C4'-P-C4' energy: -30.296
flat angles P-C4'-P energy: -24.247
tors. eta vs tors. theta energy: -45.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -506.921966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.921966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.921966 (E_RNA)
where:
Base-Base interactions energy: -358.028
where: short stacking energy: -144.748
Base-Backbone interact. energy: -0.880
local terms energy: -148.014379
where:
bonds (distance) C4'-P energy: -25.025
bonds (distance) P-C4' energy: -29.613
flat angles C4'-P-C4' energy: -31.722
flat angles P-C4'-P energy: -14.347
tors. eta vs tors. theta energy: -47.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -508.654372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.654372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.654372 (E_RNA)
where:
Base-Base interactions energy: -358.899
where: short stacking energy: -146.999
Base-Backbone interact. energy: -0.622
local terms energy: -149.133472
where:
bonds (distance) C4'-P energy: -23.816
bonds (distance) P-C4' energy: -30.625
flat angles C4'-P-C4' energy: -27.705
flat angles P-C4'-P energy: -23.044
tors. eta vs tors. theta energy: -43.942
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: 5, replica: 2
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -441.324360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.324360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.324360 (E_RNA)
where:
Base-Base interactions energy: -291.293
where: short stacking energy: -138.030
Base-Backbone interact. energy: -0.031
local terms energy: -150.000480
where:
bonds (distance) C4'-P energy: -28.697
bonds (distance) P-C4' energy: -28.163
flat angles C4'-P-C4' energy: -28.995
flat angles P-C4'-P energy: -20.318
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: 6, replica: 3
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -434.609789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.609789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.609789 (E_RNA)
where:
Base-Base interactions energy: -298.731
where: short stacking energy: -140.016
Base-Backbone interact. energy: -1.275
local terms energy: -134.603341
where:
bonds (distance) C4'-P energy: -23.248
bonds (distance) P-C4' energy: -25.426
flat angles C4'-P-C4' energy: -28.039
flat angles P-C4'-P energy: -17.679
tors. eta vs tors. theta energy: -40.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -393.627047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.627047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.627047 (E_RNA)
where:
Base-Base interactions energy: -267.619
where: short stacking energy: -104.842
Base-Backbone interact. energy: -0.355
local terms energy: -125.653019
where:
bonds (distance) C4'-P energy: -24.731
bonds (distance) P-C4' energy: -27.683
flat angles C4'-P-C4' energy: -26.821
flat angles P-C4'-P energy: -13.593
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: 260
Temperature: 1.250000
Total energy: -292.170089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.170089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.170089 (E_RNA)
where:
Base-Base interactions energy: -196.927
where: short stacking energy: -86.264
Base-Backbone interact. energy: 1.616
local terms energy: -96.859547
where:
bonds (distance) C4'-P energy: -26.966
bonds (distance) P-C4' energy: -21.671
flat angles C4'-P-C4' energy: -20.641
flat angles P-C4'-P energy: -18.588
tors. eta vs tors. theta energy: -8.994
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: 5
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -239.431854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.431854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.431854 (E_RNA)
where:
Base-Base interactions energy: -139.868
where: short stacking energy: -66.500
Base-Backbone interact. energy: -0.167
local terms energy: -99.397390
where:
bonds (distance) C4'-P energy: -25.875
bonds (distance) P-C4' energy: -25.379
flat angles C4'-P-C4' energy: -28.706
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -8.632
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: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -206.820379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.820379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.820379 (E_RNA)
where:
Base-Base interactions energy: -111.403
where: short stacking energy: -36.785
Base-Backbone interact. energy: -0.599
local terms energy: -94.819037
where:
bonds (distance) C4'-P energy: -26.833
bonds (distance) P-C4' energy: -23.721
flat angles C4'-P-C4' energy: -23.947
flat angles P-C4'-P energy: -20.862
tors. eta vs tors. theta energy: 0.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -537.474045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.474045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.474045 (E_RNA)
where:
Base-Base interactions energy: -380.503
where: short stacking energy: -161.763
Base-Backbone interact. energy: -0.403
local terms energy: -156.567983
where:
bonds (distance) C4'-P energy: -31.360
bonds (distance) P-C4' energy: -31.605
flat angles C4'-P-C4' energy: -30.288
flat angles P-C4'-P energy: -20.658
tors. eta vs tors. theta energy: -42.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -522.580245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.580245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.580245 (E_RNA)
where:
Base-Base interactions energy: -375.393
where: short stacking energy: -141.748
Base-Backbone interact. energy: -0.172
local terms energy: -147.015409
where:
bonds (distance) C4'-P energy: -21.365
bonds (distance) P-C4' energy: -30.800
flat angles C4'-P-C4' energy: -32.727
flat angles P-C4'-P energy: -20.804
tors. eta vs tors. theta energy: -41.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -516.287332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.287332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.287332 (E_RNA)
where:
Base-Base interactions energy: -359.353
where: short stacking energy: -144.097
Base-Backbone interact. energy: -0.593
local terms energy: -156.341073
where:
bonds (distance) C4'-P energy: -30.812
bonds (distance) P-C4' energy: -24.513
flat angles C4'-P-C4' energy: -30.473
flat angles P-C4'-P energy: -22.598
tors. eta vs tors. theta energy: -47.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -517.810348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.810348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.810348 (E_RNA)
where:
Base-Base interactions energy: -363.173
where: short stacking energy: -156.136
Base-Backbone interact. energy: -0.063
local terms energy: -154.575000
where:
bonds (distance) C4'-P energy: -25.066
bonds (distance) P-C4' energy: -26.045
flat angles C4'-P-C4' energy: -33.824
flat angles P-C4'-P energy: -20.507
tors. eta vs tors. theta energy: -49.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -472.684656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.684656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.684656 (E_RNA)
where:
Base-Base interactions energy: -320.657
where: short stacking energy: -129.328
Base-Backbone interact. energy: 0.436
local terms energy: -152.464397
where:
bonds (distance) C4'-P energy: -28.927
bonds (distance) P-C4' energy: -29.342
flat angles C4'-P-C4' energy: -29.842
flat angles P-C4'-P energy: -22.084
tors. eta vs tors. theta energy: -42.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -417.502265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.502265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.502265 (E_RNA)
where:
Base-Base interactions energy: -291.661
where: short stacking energy: -131.560
Base-Backbone interact. energy: -0.208
local terms energy: -125.633299
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -24.471
flat angles C4'-P-C4' energy: -30.051
flat angles P-C4'-P energy: -16.334
tors. eta vs tors. theta energy: -37.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -383.606635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.606635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.606635 (E_RNA)
where:
Base-Base interactions energy: -266.925
where: short stacking energy: -108.870
Base-Backbone interact. energy: -0.867
local terms energy: -115.814256
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -30.822
flat angles C4'-P-C4' energy: -25.294
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -31.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -301.040475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.040475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.040475 (E_RNA)
where:
Base-Base interactions energy: -203.717
where: short stacking energy: -89.369
Base-Backbone interact. energy: -0.292
local terms energy: -97.031421
where:
bonds (distance) C4'-P energy: -23.312
bonds (distance) P-C4' energy: -27.535
flat angles C4'-P-C4' energy: -24.398
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -11.642
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: 5
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -204.535871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.535871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.535871 (E_RNA)
where:
Base-Base interactions energy: -111.974
where: short stacking energy: -57.796
Base-Backbone interact. energy: -0.612
local terms energy: -91.950501
where:
bonds (distance) C4'-P energy: -20.241
bonds (distance) P-C4' energy: -25.960
flat angles C4'-P-C4' energy: -24.059
flat angles P-C4'-P energy: -14.055
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: 10, replica: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -235.480366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.480366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.480366 (E_RNA)
where:
Base-Base interactions energy: -137.374
where: short stacking energy: -62.771
Base-Backbone interact. energy: -0.728
local terms energy: -97.378354
where:
bonds (distance) C4'-P energy: -23.114
bonds (distance) P-C4' energy: -26.108
flat angles C4'-P-C4' energy: -22.751
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -14.369
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: 8
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -537.723614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.723614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.723614 (E_RNA)
where:
Base-Base interactions energy: -374.894
where: short stacking energy: -152.763
Base-Backbone interact. energy: -1.471
local terms energy: -161.358664
where:
bonds (distance) C4'-P energy: -31.306
bonds (distance) P-C4' energy: -29.638
flat angles C4'-P-C4' energy: -31.666
flat angles P-C4'-P energy: -21.693
tors. eta vs tors. theta energy: -47.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -520.504325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.504325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.504325 (E_RNA)
where:
Base-Base interactions energy: -365.232
where: short stacking energy: -140.925
Base-Backbone interact. energy: -1.344
local terms energy: -153.928867
where:
bonds (distance) C4'-P energy: -23.157
bonds (distance) P-C4' energy: -28.716
flat angles C4'-P-C4' energy: -34.055
flat angles P-C4'-P energy: -25.560
tors. eta vs tors. theta energy: -42.441
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: 9
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -512.316165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.316165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.316165 (E_RNA)
where:
Base-Base interactions energy: -363.380
where: short stacking energy: -146.013
Base-Backbone interact. energy: 1.186
local terms energy: -150.121432
where:
bonds (distance) C4'-P energy: -28.913
bonds (distance) P-C4' energy: -25.690
flat angles C4'-P-C4' energy: -29.197
flat angles P-C4'-P energy: -21.125
tors. eta vs tors. theta energy: -45.197
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: 6
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -517.925679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.925679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.925679 (E_RNA)
where:
Base-Base interactions energy: -367.669
where: short stacking energy: -147.067
Base-Backbone interact. energy: -0.168
local terms energy: -150.089030
where:
bonds (distance) C4'-P energy: -25.215
bonds (distance) P-C4' energy: -31.611
flat angles C4'-P-C4' energy: -30.740
flat angles P-C4'-P energy: -16.420
tors. eta vs tors. theta energy: -46.103
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: 2
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -459.450170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.450170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.450170 (E_RNA)
where:
Base-Base interactions energy: -317.388
where: short stacking energy: -130.625
Base-Backbone interact. energy: 0.687
local terms energy: -142.749283
where:
bonds (distance) C4'-P energy: -25.355
bonds (distance) P-C4' energy: -30.340
flat angles C4'-P-C4' energy: -32.566
flat angles P-C4'-P energy: -19.784
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: 6, replica: 3
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -413.154990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.154990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.154990 (E_RNA)
where:
Base-Base interactions energy: -295.291
where: short stacking energy: -126.129
Base-Backbone interact. energy: -0.021
local terms energy: -117.843283
where:
bonds (distance) C4'-P energy: -26.308
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -25.327
flat angles P-C4'-P energy: -17.812
tors. eta vs tors. theta energy: -31.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -384.776368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.776368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.776368 (E_RNA)
where:
Base-Base interactions energy: -251.193
where: short stacking energy: -110.389
Base-Backbone interact. energy: -0.287
local terms energy: -133.296276
where:
bonds (distance) C4'-P energy: -23.379
bonds (distance) P-C4' energy: -28.858
flat angles C4'-P-C4' energy: -30.663
flat angles P-C4'-P energy: -18.358
tors. eta vs tors. theta energy: -32.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -293.852904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.852904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.852904 (E_RNA)
where:
Base-Base interactions energy: -201.447
where: short stacking energy: -91.630
Base-Backbone interact. energy: -0.103
local terms energy: -92.303349
where:
bonds (distance) C4'-P energy: -21.080
bonds (distance) P-C4' energy: -26.348
flat angles C4'-P-C4' energy: -21.983
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -12.541
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: 10
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -235.807956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.807956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.807956 (E_RNA)
where:
Base-Base interactions energy: -135.946
where: short stacking energy: -64.531
Base-Backbone interact. energy: 2.915
local terms energy: -102.777116
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -28.232
flat angles C4'-P-C4' energy: -24.662
flat angles P-C4'-P energy: -18.987
tors. eta vs tors. theta energy: -15.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -192.017401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.017401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.017401 (E_RNA)
where:
Base-Base interactions energy: -114.003
where: short stacking energy: -61.977
Base-Backbone interact. energy: 0.693
local terms energy: -78.707959
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -22.878
flat angles C4'-P-C4' energy: -19.556
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -8.897
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: 8
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -539.513851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.513851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.513851 (E_RNA)
where:
Base-Base interactions energy: -385.286
where: short stacking energy: -159.682
Base-Backbone interact. energy: 0.542
local terms energy: -154.769452
where:
bonds (distance) C4'-P energy: -28.321
bonds (distance) P-C4' energy: -24.164
flat angles C4'-P-C4' energy: -32.729
flat angles P-C4'-P energy: -20.860
tors. eta vs tors. theta energy: -48.696
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: 7
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -527.463912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.463912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.463912 (E_RNA)
where:
Base-Base interactions energy: -374.455
where: short stacking energy: -146.449
Base-Backbone interact. energy: -0.229
local terms energy: -152.779622
where:
bonds (distance) C4'-P energy: -27.859
bonds (distance) P-C4' energy: -26.905
flat angles C4'-P-C4' energy: -29.155
flat angles P-C4'-P energy: -24.072
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: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -517.852416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.852416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.852416 (E_RNA)
where:
Base-Base interactions energy: -366.951
where: short stacking energy: -144.785
Base-Backbone interact. energy: -0.641
local terms energy: -150.260233
where:
bonds (distance) C4'-P energy: -30.005
bonds (distance) P-C4' energy: -29.131
flat angles C4'-P-C4' energy: -30.737
flat angles P-C4'-P energy: -20.503
tors. eta vs tors. theta energy: -39.884
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: 6
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -503.944693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.944693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.944693 (E_RNA)
where:
Base-Base interactions energy: -363.587
where: short stacking energy: -144.964
Base-Backbone interact. energy: -0.657
local terms energy: -139.700880
where:
bonds (distance) C4'-P energy: -24.079
bonds (distance) P-C4' energy: -27.908
flat angles C4'-P-C4' energy: -29.277
flat angles P-C4'-P energy: -21.106
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: 5, replica: 2
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -446.485255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.485255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.485255 (E_RNA)
where:
Base-Base interactions energy: -317.556
where: short stacking energy: -127.942
Base-Backbone interact. energy: -0.326
local terms energy: -128.603578
where:
bonds (distance) C4'-P energy: -19.487
bonds (distance) P-C4' energy: -28.857
flat angles C4'-P-C4' energy: -23.474
flat angles P-C4'-P energy: -24.637
tors. eta vs tors. theta energy: -32.150
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: 3
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -432.554004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.554004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.554004 (E_RNA)
where:
Base-Base interactions energy: -288.439
where: short stacking energy: -120.081
Base-Backbone interact. energy: -0.324
local terms energy: -143.791331
where:
bonds (distance) C4'-P energy: -26.176
bonds (distance) P-C4' energy: -29.197
flat angles C4'-P-C4' energy: -27.803
flat angles P-C4'-P energy: -22.258
tors. eta vs tors. theta energy: -38.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -382.027705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.027705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.027705 (E_RNA)
where:
Base-Base interactions energy: -263.236
where: short stacking energy: -105.277
Base-Backbone interact. energy: -0.193
local terms energy: -118.599048
where:
bonds (distance) C4'-P energy: -26.004
bonds (distance) P-C4' energy: -29.657
flat angles C4'-P-C4' energy: -21.264
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -28.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -282.752305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.752305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.752305 (E_RNA)
where:
Base-Base interactions energy: -189.515
where: short stacking energy: -93.018
Base-Backbone interact. energy: 0.337
local terms energy: -93.573710
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -29.324
flat angles C4'-P-C4' energy: -19.172
flat angles P-C4'-P energy: -16.743
tors. eta vs tors. theta energy: -15.397
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: 4
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -289.605402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.605402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.605402 (E_RNA)
where:
Base-Base interactions energy: -196.810
where: short stacking energy: -84.595
Base-Backbone interact. energy: -0.663
local terms energy: -92.132250
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -24.771
flat angles C4'-P-C4' energy: -23.884
flat angles P-C4'-P energy: -17.849
tors. eta vs tors. theta energy: -12.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -200.542736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.542736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.542736 (E_RNA)
where:
Base-Base interactions energy: -112.457
where: short stacking energy: -63.608
Base-Backbone interact. energy: -0.279
local terms energy: -87.806552
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -28.271
flat angles C4'-P-C4' energy: -24.075
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -5.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -537.694994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.694994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.694994 (E_RNA)
where:
Base-Base interactions energy: -377.310
where: short stacking energy: -162.064
Base-Backbone interact. energy: -0.414
local terms energy: -159.971063
where:
bonds (distance) C4'-P energy: -26.435
bonds (distance) P-C4' energy: -30.985
flat angles C4'-P-C4' energy: -31.414
flat angles P-C4'-P energy: -20.144
tors. eta vs tors. theta energy: -50.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -531.192903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.192903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.192903 (E_RNA)
where:
Base-Base interactions energy: -371.118
where: short stacking energy: -147.725
Base-Backbone interact. energy: -0.446
local terms energy: -159.628085
where:
bonds (distance) C4'-P energy: -28.140
bonds (distance) P-C4' energy: -30.406
flat angles C4'-P-C4' energy: -31.210
flat angles P-C4'-P energy: -25.536
tors. eta vs tors. theta energy: -44.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -506.807347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.807347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.807347 (E_RNA)
where:
Base-Base interactions energy: -361.650
where: short stacking energy: -139.105
Base-Backbone interact. energy: -0.182
local terms energy: -144.975384
where:
bonds (distance) C4'-P energy: -27.263
bonds (distance) P-C4' energy: -25.414
flat angles C4'-P-C4' energy: -36.790
flat angles P-C4'-P energy: -17.240
tors. eta vs tors. theta energy: -38.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -515.246698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.246698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.246698 (E_RNA)
where:
Base-Base interactions energy: -360.835
where: short stacking energy: -148.079
Base-Backbone interact. energy: -0.073
local terms energy: -154.338762
where:
bonds (distance) C4'-P energy: -30.046
bonds (distance) P-C4' energy: -25.508
flat angles C4'-P-C4' energy: -33.191
flat angles P-C4'-P energy: -21.946
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: 5, replica: 2
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -459.310846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.310846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.310846 (E_RNA)
where:
Base-Base interactions energy: -319.345
where: short stacking energy: -129.538
Base-Backbone interact. energy: -0.187
local terms energy: -139.778435
where:
bonds (distance) C4'-P energy: -28.764
bonds (distance) P-C4' energy: -27.034
flat angles C4'-P-C4' energy: -29.431
flat angles P-C4'-P energy: -16.889
tors. eta vs tors. theta energy: -37.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -420.375213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.375213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.375213 (E_RNA)
where:
Base-Base interactions energy: -287.656
where: short stacking energy: -121.266
Base-Backbone interact. energy: -0.051
local terms energy: -132.668739
where:
bonds (distance) C4'-P energy: -31.066
bonds (distance) P-C4' energy: -22.271
flat angles C4'-P-C4' energy: -25.430
flat angles P-C4'-P energy: -18.578
tors. eta vs tors. theta energy: -35.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -391.580242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.580242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.580242 (E_RNA)
where:
Base-Base interactions energy: -266.303
where: short stacking energy: -121.064
Base-Backbone interact. energy: 2.336
local terms energy: -127.612974
where:
bonds (distance) C4'-P energy: -21.649
bonds (distance) P-C4' energy: -26.253
flat angles C4'-P-C4' energy: -27.689
flat angles P-C4'-P energy: -20.530
tors. eta vs tors. theta energy: -31.493
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: 10
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -289.046295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.046295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.046295 (E_RNA)
where:
Base-Base interactions energy: -187.685
where: short stacking energy: -90.706
Base-Backbone interact. energy: -0.713
local terms energy: -100.648404
where:
bonds (distance) C4'-P energy: -25.204
bonds (distance) P-C4' energy: -23.402
flat angles C4'-P-C4' energy: -25.924
flat angles P-C4'-P energy: -5.595
tors. eta vs tors. theta energy: -20.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -313.545862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.545862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.545862 (E_RNA)
where:
Base-Base interactions energy: -210.897
where: short stacking energy: -96.241
Base-Backbone interact. energy: -0.469
local terms energy: -102.179827
where:
bonds (distance) C4'-P energy: -23.786
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -26.242
flat angles P-C4'-P energy: -18.491
tors. eta vs tors. theta energy: -16.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -200.174810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.174810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.174810 (E_RNA)
where:
Base-Base interactions energy: -116.779
where: short stacking energy: -64.189
Base-Backbone interact. energy: 1.283
local terms energy: -84.678874
where:
bonds (distance) C4'-P energy: -24.560
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -22.172
flat angles P-C4'-P energy: -6.016
tors. eta vs tors. theta energy: -12.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -535.693144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.693144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.693144 (E_RNA)
where:
Base-Base interactions energy: -373.225
where: short stacking energy: -161.774
Base-Backbone interact. energy: -0.091
local terms energy: -162.377414
where:
bonds (distance) C4'-P energy: -24.583
bonds (distance) P-C4' energy: -29.083
flat angles C4'-P-C4' energy: -35.704
flat angles P-C4'-P energy: -24.688
tors. eta vs tors. theta energy: -48.319
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: 6
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -526.374636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.374636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.374636 (E_RNA)
where:
Base-Base interactions energy: -367.309
where: short stacking energy: -150.491
Base-Backbone interact. energy: -0.021
local terms energy: -159.045141
where:
bonds (distance) C4'-P energy: -27.089
bonds (distance) P-C4' energy: -30.353
flat angles C4'-P-C4' energy: -29.865
flat angles P-C4'-P energy: -25.026
tors. eta vs tors. theta energy: -46.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -514.770403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.770403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.770403 (E_RNA)
where:
Base-Base interactions energy: -371.381
where: short stacking energy: -147.821
Base-Backbone interact. energy: -0.707
local terms energy: -142.682112
where:
bonds (distance) C4'-P energy: -19.417
bonds (distance) P-C4' energy: -24.678
flat angles C4'-P-C4' energy: -28.276
flat angles P-C4'-P energy: -23.390
tors. eta vs tors. theta energy: -46.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -468.931781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.931781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.931781 (E_RNA)
where:
Base-Base interactions energy: -324.935
where: short stacking energy: -140.603
Base-Backbone interact. energy: -0.794
local terms energy: -143.202354
where:
bonds (distance) C4'-P energy: -25.492
bonds (distance) P-C4' energy: -25.868
flat angles C4'-P-C4' energy: -33.663
flat angles P-C4'-P energy: -20.762
tors. eta vs tors. theta energy: -37.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -510.435662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.435662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.435662 (E_RNA)
where:
Base-Base interactions energy: -357.763
where: short stacking energy: -142.546
Base-Backbone interact. energy: -0.026
local terms energy: -152.646612
where:
bonds (distance) C4'-P energy: -22.969
bonds (distance) P-C4' energy: -31.196
flat angles C4'-P-C4' energy: -30.525
flat angles P-C4'-P energy: -22.488
tors. eta vs tors. theta energy: -45.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -398.321029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.321029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.321029 (E_RNA)
where:
Base-Base interactions energy: -278.254
where: short stacking energy: -122.554
Base-Backbone interact. energy: -0.149
local terms energy: -119.917819
where:
bonds (distance) C4'-P energy: -24.057
bonds (distance) P-C4' energy: -28.526
flat angles C4'-P-C4' energy: -24.316
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -31.965
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: 3
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -432.862793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.862793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.862793 (E_RNA)
where:
Base-Base interactions energy: -294.433
where: short stacking energy: -121.716
Base-Backbone interact. energy: -0.043
local terms energy: -138.386001
where:
bonds (distance) C4'-P energy: -20.948
bonds (distance) P-C4' energy: -28.808
flat angles C4'-P-C4' energy: -27.626
flat angles P-C4'-P energy: -23.859
tors. eta vs tors. theta energy: -37.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -321.572340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.572340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.572340 (E_RNA)
where:
Base-Base interactions energy: -214.771
where: short stacking energy: -84.257
Base-Backbone interact. energy: 1.203
local terms energy: -108.004047
where:
bonds (distance) C4'-P energy: -24.649
bonds (distance) P-C4' energy: -26.744
flat angles C4'-P-C4' energy: -22.066
flat angles P-C4'-P energy: -18.964
tors. eta vs tors. theta energy: -15.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -294.350029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.350029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.350029 (E_RNA)
where:
Base-Base interactions energy: -185.631
where: short stacking energy: -90.739
Base-Backbone interact. energy: -0.464
local terms energy: -108.254308
where:
bonds (distance) C4'-P energy: -24.774
bonds (distance) P-C4' energy: -24.343
flat angles C4'-P-C4' energy: -27.912
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -21.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -192.077757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.077757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.077757 (E_RNA)
where:
Base-Base interactions energy: -91.942
where: short stacking energy: -51.273
Base-Backbone interact. energy: -0.372
local terms energy: -99.763739
where:
bonds (distance) C4'-P energy: -24.263
bonds (distance) P-C4' energy: -27.650
flat angles C4'-P-C4' energy: -22.436
flat angles P-C4'-P energy: -18.758
tors. eta vs tors. theta energy: -6.657
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: 266
Temperature: 0.900000
Total energy: -527.654707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.654707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.654707 (E_RNA)
where:
Base-Base interactions energy: -376.944
where: short stacking energy: -152.528
Base-Backbone interact. energy: -0.747
local terms energy: -149.963472
where:
bonds (distance) C4'-P energy: -23.027
bonds (distance) P-C4' energy: -31.425
flat angles C4'-P-C4' energy: -26.322
flat angles P-C4'-P energy: -21.657
tors. eta vs tors. theta energy: -47.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -535.834431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.834431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.834431 (E_RNA)
where:
Base-Base interactions energy: -373.184
where: short stacking energy: -156.519
Base-Backbone interact. energy: -0.028
local terms energy: -162.621724
where:
bonds (distance) C4'-P energy: -27.981
bonds (distance) P-C4' energy: -27.718
flat angles C4'-P-C4' energy: -31.897
flat angles P-C4'-P energy: -27.629
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: 3, replica: 7
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -522.070854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.070854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.070854 (E_RNA)
where:
Base-Base interactions energy: -361.517
where: short stacking energy: -150.075
Base-Backbone interact. energy: -0.018
local terms energy: -160.536232
where:
bonds (distance) C4'-P energy: -23.308
bonds (distance) P-C4' energy: -29.352
flat angles C4'-P-C4' energy: -35.477
flat angles P-C4'-P energy: -26.021
tors. eta vs tors. theta energy: -46.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -468.996353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.996353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.996353 (E_RNA)
where:
Base-Base interactions energy: -323.360
where: short stacking energy: -125.048
Base-Backbone interact. energy: -0.105
local terms energy: -145.531100
where:
bonds (distance) C4'-P energy: -28.952
bonds (distance) P-C4' energy: -24.767
flat angles C4'-P-C4' energy: -31.174
flat angles P-C4'-P energy: -18.800
tors. eta vs tors. theta energy: -41.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -508.390685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.390685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.390685 (E_RNA)
where:
Base-Base interactions energy: -361.676
where: short stacking energy: -151.685
Base-Backbone interact. energy: -0.771
local terms energy: -145.943341
where:
bonds (distance) C4'-P energy: -24.769
bonds (distance) P-C4' energy: -25.571
flat angles C4'-P-C4' energy: -29.522
flat angles P-C4'-P energy: -20.871
tors. eta vs tors. theta energy: -45.210
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: 1
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -386.040598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.040598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.040598 (E_RNA)
where:
Base-Base interactions energy: -254.917
where: short stacking energy: -107.595
Base-Backbone interact. energy: -0.734
local terms energy: -130.389227
where:
bonds (distance) C4'-P energy: -29.927
bonds (distance) P-C4' energy: -34.738
flat angles C4'-P-C4' energy: -24.098
flat angles P-C4'-P energy: -19.453
tors. eta vs tors. theta energy: -22.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -422.039674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.039674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.039674 (E_RNA)
where:
Base-Base interactions energy: -299.677
where: short stacking energy: -127.596
Base-Backbone interact. energy: -0.253
local terms energy: -122.110017
where:
bonds (distance) C4'-P energy: -27.667
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -24.655
flat angles P-C4'-P energy: -15.385
tors. eta vs tors. theta energy: -35.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -329.013669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.013669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.013669 (E_RNA)
where:
Base-Base interactions energy: -208.981
where: short stacking energy: -82.460
Base-Backbone interact. energy: -0.254
local terms energy: -119.778600
where:
bonds (distance) C4'-P energy: -30.180
bonds (distance) P-C4' energy: -29.535
flat angles C4'-P-C4' energy: -30.234
flat angles P-C4'-P energy: -16.011
tors. eta vs tors. theta energy: -13.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -272.085033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.085033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.085033 (E_RNA)
where:
Base-Base interactions energy: -163.882
where: short stacking energy: -72.879
Base-Backbone interact. energy: -1.274
local terms energy: -106.928838
where:
bonds (distance) C4'-P energy: -24.789
bonds (distance) P-C4' energy: -30.656
flat angles C4'-P-C4' energy: -23.224
flat angles P-C4'-P energy: -16.810
tors. eta vs tors. theta energy: -11.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -186.274342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.274342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.274342 (E_RNA)
where:
Base-Base interactions energy: -112.489
where: short stacking energy: -64.137
Base-Backbone interact. energy: -0.367
local terms energy: -73.418675
where:
bonds (distance) C4'-P energy: -20.770
bonds (distance) P-C4' energy: -28.993
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: 6.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -536.923249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.923249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.923249 (E_RNA)
where:
Base-Base interactions energy: -373.083
where: short stacking energy: -160.238
Base-Backbone interact. energy: -0.043
local terms energy: -163.797612
where:
bonds (distance) C4'-P energy: -28.731
bonds (distance) P-C4' energy: -29.776
flat angles C4'-P-C4' energy: -31.939
flat angles P-C4'-P energy: -27.194
tors. eta vs tors. theta energy: -46.157
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: 267
Temperature: 0.950000
Total energy: -525.939494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.939494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.939494 (E_RNA)
where:
Base-Base interactions energy: -370.708
where: short stacking energy: -149.318
Base-Backbone interact. energy: -0.217
local terms energy: -155.015012
where:
bonds (distance) C4'-P energy: -26.873
bonds (distance) P-C4' energy: -29.610
flat angles C4'-P-C4' energy: -31.096
flat angles P-C4'-P energy: -21.124
tors. eta vs tors. theta energy: -46.313
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: 3, replica: 7
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -512.248696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.248696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.248696 (E_RNA)
where:
Base-Base interactions energy: -357.176
where: short stacking energy: -153.310
Base-Backbone interact. energy: -0.059
local terms energy: -155.013385
where:
bonds (distance) C4'-P energy: -22.356
bonds (distance) P-C4' energy: -31.637
flat angles C4'-P-C4' energy: -31.379
flat angles P-C4'-P energy: -22.244
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: 267
Temperature: 1.050000
Total energy: -517.230588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.230588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.230588 (E_RNA)
where:
Base-Base interactions energy: -357.842
where: short stacking energy: -150.986
Base-Backbone interact. energy: -1.240
local terms energy: -158.149077
where:
bonds (distance) C4'-P energy: -27.771
bonds (distance) P-C4' energy: -25.280
flat angles C4'-P-C4' energy: -33.288
flat angles P-C4'-P energy: -23.394
tors. eta vs tors. theta energy: -48.415
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: 2
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -459.239753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.239753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.239753 (E_RNA)
where:
Base-Base interactions energy: -321.229
where: short stacking energy: -141.123
Base-Backbone interact. energy: -0.201
local terms energy: -137.809656
where:
bonds (distance) C4'-P energy: -22.373
bonds (distance) P-C4' energy: -25.986
flat angles C4'-P-C4' energy: -29.906
flat angles P-C4'-P energy: -20.072
tors. eta vs tors. theta energy: -39.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -435.666646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.666646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.666646 (E_RNA)
where:
Base-Base interactions energy: -311.490
where: short stacking energy: -141.602
Base-Backbone interact. energy: -0.122
local terms energy: -124.054119
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -24.332
flat angles C4'-P-C4' energy: -26.103
flat angles P-C4'-P energy: -17.040
tors. eta vs tors. theta energy: -39.699
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: 267
Temperature: 1.200000
Total energy: -425.743792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.743792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.743792 (E_RNA)
where:
Base-Base interactions energy: -291.909
where: short stacking energy: -123.077
Base-Backbone interact. energy: -1.652
local terms energy: -132.183050
where:
bonds (distance) C4'-P energy: -25.303
bonds (distance) P-C4' energy: -25.320
flat angles C4'-P-C4' energy: -28.263
flat angles P-C4'-P energy: -20.056
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: 8, replica: 4
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -342.845068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.845068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.845068 (E_RNA)
where:
Base-Base interactions energy: -225.022
where: short stacking energy: -108.796
Base-Backbone interact. energy: -0.042
local terms energy: -117.780570
where:
bonds (distance) C4'-P energy: -24.648
bonds (distance) P-C4' energy: -29.717
flat angles C4'-P-C4' energy: -24.219
flat angles P-C4'-P energy: -19.118
tors. eta vs tors. theta energy: -20.077
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: 9, replica: 10
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -275.940021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.940021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.940021 (E_RNA)
where:
Base-Base interactions energy: -181.263
where: short stacking energy: -80.983
Base-Backbone interact. energy: 1.420
local terms energy: -96.097341
where:
bonds (distance) C4'-P energy: -20.419
bonds (distance) P-C4' energy: -22.178
flat angles C4'-P-C4' energy: -25.538
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -15.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -151.612132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.612132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.612132 (E_RNA)
where:
Base-Base interactions energy: -79.179
where: short stacking energy: -46.984
Base-Backbone interact. energy: -0.243
local terms energy: -72.190068
where:
bonds (distance) C4'-P energy: -19.900
bonds (distance) P-C4' energy: -22.315
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: 1.654
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: 8
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -537.133981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.133981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.133981 (E_RNA)
where:
Base-Base interactions energy: -376.947
where: short stacking energy: -153.382
Base-Backbone interact. energy: -0.957
local terms energy: -159.229736
where:
bonds (distance) C4'-P energy: -32.361
bonds (distance) P-C4' energy: -29.108
flat angles C4'-P-C4' energy: -30.414
flat angles P-C4'-P energy: -23.052
tors. eta vs tors. theta energy: -44.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -529.390440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.390440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.390440 (E_RNA)
where:
Base-Base interactions energy: -368.879
where: short stacking energy: -152.306
Base-Backbone interact. energy: -0.003
local terms energy: -160.508693
where:
bonds (distance) C4'-P energy: -26.748
bonds (distance) P-C4' energy: -30.722
flat angles C4'-P-C4' energy: -30.748
flat angles P-C4'-P energy: -24.895
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: 3, replica: 7
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -519.932022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.932022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.932022 (E_RNA)
where:
Base-Base interactions energy: -367.936
where: short stacking energy: -153.640
Base-Backbone interact. energy: -0.046
local terms energy: -151.950118
where:
bonds (distance) C4'-P energy: -28.400
bonds (distance) P-C4' energy: -22.912
flat angles C4'-P-C4' energy: -31.123
flat angles P-C4'-P energy: -23.599
tors. eta vs tors. theta energy: -45.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -513.040593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.040593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.040593 (E_RNA)
where:
Base-Base interactions energy: -365.791
where: short stacking energy: -157.456
Base-Backbone interact. energy: -0.015
local terms energy: -147.234923
where:
bonds (distance) C4'-P energy: -25.145
bonds (distance) P-C4' energy: -26.443
flat angles C4'-P-C4' energy: -28.722
flat angles P-C4'-P energy: -21.359
tors. eta vs tors. theta energy: -45.566
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: 5, replica: 2
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -464.746956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.746956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.746956 (E_RNA)
where:
Base-Base interactions energy: -329.599
where: short stacking energy: -124.998
Base-Backbone interact. energy: -0.519
local terms energy: -134.629052
where:
bonds (distance) C4'-P energy: -25.639
bonds (distance) P-C4' energy: -30.373
flat angles C4'-P-C4' energy: -24.711
flat angles P-C4'-P energy: -16.162
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: 268
Temperature: 1.150000
Total energy: -440.046559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.046559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.046559 (E_RNA)
where:
Base-Base interactions energy: -300.227
where: short stacking energy: -126.535
Base-Backbone interact. energy: 0.712
local terms energy: -140.531368
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -24.144
flat angles C4'-P-C4' energy: -33.463
flat angles P-C4'-P energy: -23.251
tors. eta vs tors. theta energy: -42.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -401.154281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.154281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.154281 (E_RNA)
where:
Base-Base interactions energy: -286.611
where: short stacking energy: -104.983
Base-Backbone interact. energy: -0.775
local terms energy: -113.768746
where:
bonds (distance) C4'-P energy: -20.894
bonds (distance) P-C4' energy: -24.055
flat angles C4'-P-C4' energy: -21.522
flat angles P-C4'-P energy: -16.611
tors. eta vs tors. theta energy: -30.686
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: 268
Temperature: 1.250000
Total energy: -335.443790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.443790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.443790 (E_RNA)
where:
Base-Base interactions energy: -220.069
where: short stacking energy: -94.777
Base-Backbone interact. energy: 0.288
local terms energy: -115.662861
where:
bonds (distance) C4'-P energy: -28.375
bonds (distance) P-C4' energy: -28.480
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -15.312
tors. eta vs tors. theta energy: -26.795
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: 10
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -277.153168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.153168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.153168 (E_RNA)
where:
Base-Base interactions energy: -172.484
where: short stacking energy: -74.870
Base-Backbone interact. energy: -0.236
local terms energy: -104.432829
where:
bonds (distance) C4'-P energy: -20.900
bonds (distance) P-C4' energy: -31.314
flat angles C4'-P-C4' energy: -21.795
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -18.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -151.137195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.137195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.137195 (E_RNA)
where:
Base-Base interactions energy: -71.100
where: short stacking energy: -46.618
Base-Backbone interact. energy: 0.266
local terms energy: -80.303508
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -30.208
flat angles C4'-P-C4' energy: -23.651
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -3.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -529.692337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.692337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.692337 (E_RNA)
where:
Base-Base interactions energy: -371.556
where: short stacking energy: -148.912
Base-Backbone interact. energy: -0.082
local terms energy: -158.054807
where:
bonds (distance) C4'-P energy: -30.859
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -30.318
flat angles P-C4'-P energy: -27.019
tors. eta vs tors. theta energy: -45.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -529.610989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.610989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.610989 (E_RNA)
where:
Base-Base interactions energy: -377.612
where: short stacking energy: -161.826
Base-Backbone interact. energy: -0.436
local terms energy: -151.563110
where:
bonds (distance) C4'-P energy: -21.533
bonds (distance) P-C4' energy: -23.688
flat angles C4'-P-C4' energy: -36.844
flat angles P-C4'-P energy: -22.317
tors. eta vs tors. theta energy: -47.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -514.577558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.577558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.577558 (E_RNA)
where:
Base-Base interactions energy: -363.491
where: short stacking energy: -145.025
Base-Backbone interact. energy: -0.284
local terms energy: -150.802304
where:
bonds (distance) C4'-P energy: -32.826
bonds (distance) P-C4' energy: -20.706
flat angles C4'-P-C4' energy: -25.620
flat angles P-C4'-P energy: -26.219
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: 4, replica: 9
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -511.262050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.262050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.262050 (E_RNA)
where:
Base-Base interactions energy: -365.659
where: short stacking energy: -145.620
Base-Backbone interact. energy: -0.167
local terms energy: -145.436222
where:
bonds (distance) C4'-P energy: -25.397
bonds (distance) P-C4' energy: -24.352
flat angles C4'-P-C4' energy: -30.600
flat angles P-C4'-P energy: -20.210
tors. eta vs tors. theta energy: -44.878
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: 2
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -462.579725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.579725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.579725 (E_RNA)
where:
Base-Base interactions energy: -330.202
where: short stacking energy: -135.526
Base-Backbone interact. energy: -0.543
local terms energy: -131.834764
where:
bonds (distance) C4'-P energy: -24.218
bonds (distance) P-C4' energy: -22.852
flat angles C4'-P-C4' energy: -23.855
flat angles P-C4'-P energy: -22.556
tors. eta vs tors. theta energy: -38.353
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: 1
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -388.536428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.536428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.536428 (E_RNA)
where:
Base-Base interactions energy: -264.571
where: short stacking energy: -115.702
Base-Backbone interact. energy: -0.571
local terms energy: -123.394923
where:
bonds (distance) C4'-P energy: -21.114
bonds (distance) P-C4' energy: -29.523
flat angles C4'-P-C4' energy: -29.609
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -29.544
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: 7, replica: 3
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -416.786586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.786586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.786586 (E_RNA)
where:
Base-Base interactions energy: -290.269
where: short stacking energy: -121.812
Base-Backbone interact. energy: -0.640
local terms energy: -125.878355
where:
bonds (distance) C4'-P energy: -23.428
bonds (distance) P-C4' energy: -25.055
flat angles C4'-P-C4' energy: -28.844
flat angles P-C4'-P energy: -19.690
tors. eta vs tors. theta energy: -28.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -305.595193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.595193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.595193 (E_RNA)
where:
Base-Base interactions energy: -206.096
where: short stacking energy: -90.249
Base-Backbone interact. energy: -0.696
local terms energy: -98.803360
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -26.754
flat angles C4'-P-C4' energy: -28.844
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -19.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -218.931822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.931822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.931822 (E_RNA)
where:
Base-Base interactions energy: -123.367
where: short stacking energy: -59.410
Base-Backbone interact. energy: 0.591
local terms energy: -96.156213
where:
bonds (distance) C4'-P energy: -26.744
bonds (distance) P-C4' energy: -25.626
flat angles C4'-P-C4' energy: -22.834
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -9.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -135.001256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.001256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.001256 (E_RNA)
where:
Base-Base interactions energy: -41.377
where: short stacking energy: -35.368
Base-Backbone interact. energy: -0.855
local terms energy: -92.769683
where:
bonds (distance) C4'-P energy: -27.132
bonds (distance) P-C4' energy: -24.115
flat angles C4'-P-C4' energy: -18.532
flat angles P-C4'-P energy: -18.906
tors. eta vs tors. theta energy: -4.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -532.642258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.642258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.642258 (E_RNA)
where:
Base-Base interactions energy: -380.908
where: short stacking energy: -159.397
Base-Backbone interact. energy: -0.527
local terms energy: -151.207529
where:
bonds (distance) C4'-P energy: -26.943
bonds (distance) P-C4' energy: -27.137
flat angles C4'-P-C4' energy: -29.511
flat angles P-C4'-P energy: -21.529
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: 2, replica: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -517.835262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.835262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.835262 (E_RNA)
where:
Base-Base interactions energy: -364.744
where: short stacking energy: -149.275
Base-Backbone interact. energy: -0.053
local terms energy: -153.038922
where:
bonds (distance) C4'-P energy: -27.701
bonds (distance) P-C4' energy: -32.985
flat angles C4'-P-C4' energy: -28.624
flat angles P-C4'-P energy: -17.005
tors. eta vs tors. theta energy: -46.724
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: 3, replica: 9
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -513.114214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.114214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.114214 (E_RNA)
where:
Base-Base interactions energy: -363.403
where: short stacking energy: -142.395
Base-Backbone interact. energy: -1.888
local terms energy: -147.822481
where:
bonds (distance) C4'-P energy: -28.065
bonds (distance) P-C4' energy: -23.146
flat angles C4'-P-C4' energy: -31.234
flat angles P-C4'-P energy: -21.577
tors. eta vs tors. theta energy: -43.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -506.379104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.379104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.379104 (E_RNA)
where:
Base-Base interactions energy: -359.764
where: short stacking energy: -147.296
Base-Backbone interact. energy: -0.720
local terms energy: -145.895230
where:
bonds (distance) C4'-P energy: -29.896
bonds (distance) P-C4' energy: -26.948
flat angles C4'-P-C4' energy: -24.381
flat angles P-C4'-P energy: -22.088
tors. eta vs tors. theta energy: -42.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -464.633968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.633968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.633968 (E_RNA)
where:
Base-Base interactions energy: -317.600
where: short stacking energy: -135.662
Base-Backbone interact. energy: -0.266
local terms energy: -146.767809
where:
bonds (distance) C4'-P energy: -27.610
bonds (distance) P-C4' energy: -23.178
flat angles C4'-P-C4' energy: -31.244
flat angles P-C4'-P energy: -23.719
tors. eta vs tors. theta energy: -41.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -427.551183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.551183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.551183 (E_RNA)
where:
Base-Base interactions energy: -296.175
where: short stacking energy: -126.826
Base-Backbone interact. energy: -0.354
local terms energy: -131.023066
where:
bonds (distance) C4'-P energy: -21.574
bonds (distance) P-C4' energy: -23.458
flat angles C4'-P-C4' energy: -29.495
flat angles P-C4'-P energy: -20.651
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: 7, replica: 3
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -417.645753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.645753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.645753 (E_RNA)
where:
Base-Base interactions energy: -297.001
where: short stacking energy: -123.433
Base-Backbone interact. energy: -0.383
local terms energy: -120.261481
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -24.306
flat angles C4'-P-C4' energy: -29.460
flat angles P-C4'-P energy: -16.040
tors. eta vs tors. theta energy: -30.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -316.236836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.236836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.236836 (E_RNA)
where:
Base-Base interactions energy: -210.958
where: short stacking energy: -96.773
Base-Backbone interact. energy: -1.061
local terms energy: -104.218631
where:
bonds (distance) C4'-P energy: -23.505
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -28.129
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -16.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -221.982749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.982749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.982749 (E_RNA)
where:
Base-Base interactions energy: -135.304
where: short stacking energy: -76.500
Base-Backbone interact. energy: -1.162
local terms energy: -85.516981
where:
bonds (distance) C4'-P energy: -29.485
bonds (distance) P-C4' energy: -22.269
flat angles C4'-P-C4' energy: -22.706
flat angles P-C4'-P energy: -2.285
tors. eta vs tors. theta energy: -8.771
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: 5
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -134.016277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.016277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.016277 (E_RNA)
where:
Base-Base interactions energy: -49.406
where: short stacking energy: -27.150
Base-Backbone interact. energy: -0.254
local terms energy: -84.355431
where:
bonds (distance) C4'-P energy: -23.656
bonds (distance) P-C4' energy: -25.266
flat angles C4'-P-C4' energy: -28.638
flat angles P-C4'-P energy: -9.503
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: 7
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -537.360158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.360158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.360158 (E_RNA)
where:
Base-Base interactions energy: -379.026
where: short stacking energy: -159.735
Base-Backbone interact. energy: -0.336
local terms energy: -157.998388
where:
bonds (distance) C4'-P energy: -20.542
bonds (distance) P-C4' energy: -31.805
flat angles C4'-P-C4' energy: -31.075
flat angles P-C4'-P energy: -24.625
tors. eta vs tors. theta energy: -49.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -527.362989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.362989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.362989 (E_RNA)
where:
Base-Base interactions energy: -376.663
where: short stacking energy: -161.281
Base-Backbone interact. energy: -0.086
local terms energy: -150.614232
where:
bonds (distance) C4'-P energy: -24.646
bonds (distance) P-C4' energy: -31.659
flat angles C4'-P-C4' energy: -30.132
flat angles P-C4'-P energy: -16.353
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: 3, replica: 8
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -514.416783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.416783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.416783 (E_RNA)
where:
Base-Base interactions energy: -354.548
where: short stacking energy: -152.821
Base-Backbone interact. energy: -0.051
local terms energy: -159.818026
where:
bonds (distance) C4'-P energy: -25.452
bonds (distance) P-C4' energy: -29.276
flat angles C4'-P-C4' energy: -33.034
flat angles P-C4'-P energy: -24.013
tors. eta vs tors. theta energy: -48.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -507.432340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.432340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.432340 (E_RNA)
where:
Base-Base interactions energy: -352.688
where: short stacking energy: -141.796
Base-Backbone interact. energy: -0.080
local terms energy: -154.665058
where:
bonds (distance) C4'-P energy: -28.778
bonds (distance) P-C4' energy: -30.492
flat angles C4'-P-C4' energy: -27.054
flat angles P-C4'-P energy: -21.510
tors. eta vs tors. theta energy: -46.830
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: 2
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -438.629997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.629997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.629997 (E_RNA)
where:
Base-Base interactions energy: -297.435
where: short stacking energy: -132.726
Base-Backbone interact. energy: -0.246
local terms energy: -140.949146
where:
bonds (distance) C4'-P energy: -26.557
bonds (distance) P-C4' energy: -25.950
flat angles C4'-P-C4' energy: -29.291
flat angles P-C4'-P energy: -22.957
tors. eta vs tors. theta energy: -36.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -448.640062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.640062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.640062 (E_RNA)
where:
Base-Base interactions energy: -310.996
where: short stacking energy: -135.354
Base-Backbone interact. energy: -0.292
local terms energy: -137.352356
where:
bonds (distance) C4'-P energy: -20.280
bonds (distance) P-C4' energy: -27.655
flat angles C4'-P-C4' energy: -29.035
flat angles P-C4'-P energy: -19.596
tors. eta vs tors. theta energy: -40.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -430.229623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.229623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.229623 (E_RNA)
where:
Base-Base interactions energy: -310.701
where: short stacking energy: -131.581
Base-Backbone interact. energy: 0.680
local terms energy: -120.208872
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -27.899
flat angles C4'-P-C4' energy: -25.016
flat angles P-C4'-P energy: -17.270
tors. eta vs tors. theta energy: -32.674
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: 271
Temperature: 1.250000
Total energy: -336.754143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.754143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.754143 (E_RNA)
where:
Base-Base interactions energy: -219.706
where: short stacking energy: -94.150
Base-Backbone interact. energy: -0.451
local terms energy: -116.597319
where:
bonds (distance) C4'-P energy: -25.574
bonds (distance) P-C4' energy: -28.978
flat angles C4'-P-C4' energy: -29.688
flat angles P-C4'-P energy: -18.716
tors. eta vs tors. theta energy: -13.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -215.420678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.420678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.420678 (E_RNA)
where:
Base-Base interactions energy: -122.579
where: short stacking energy: -53.166
Base-Backbone interact. energy: -1.009
local terms energy: -91.832220
where:
bonds (distance) C4'-P energy: -22.649
bonds (distance) P-C4' energy: -23.578
flat angles C4'-P-C4' energy: -23.028
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -9.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -136.693559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.693559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.693559 (E_RNA)
where:
Base-Base interactions energy: -55.037
where: short stacking energy: -55.037
Base-Backbone interact. energy: -0.262
local terms energy: -81.394851
where:
bonds (distance) C4'-P energy: -25.969
bonds (distance) P-C4' energy: -21.499
flat angles C4'-P-C4' energy: -24.064
flat angles P-C4'-P energy: -5.962
tors. eta vs tors. theta energy: -3.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -533.815299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.815299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.815299 (E_RNA)
where:
Base-Base interactions energy: -371.023
where: short stacking energy: -153.708
Base-Backbone interact. energy: -0.215
local terms energy: -162.576870
where:
bonds (distance) C4'-P energy: -28.859
bonds (distance) P-C4' energy: -31.364
flat angles C4'-P-C4' energy: -29.672
flat angles P-C4'-P energy: -23.969
tors. eta vs tors. theta energy: -48.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -531.691297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.691297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.691297 (E_RNA)
where:
Base-Base interactions energy: -382.881
where: short stacking energy: -160.490
Base-Backbone interact. energy: -0.010
local terms energy: -148.800273
where:
bonds (distance) C4'-P energy: -27.476
bonds (distance) P-C4' energy: -27.084
flat angles C4'-P-C4' energy: -29.839
flat angles P-C4'-P energy: -16.685
tors. eta vs tors. theta energy: -47.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -521.368556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.368556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.368556 (E_RNA)
where:
Base-Base interactions energy: -358.142
where: short stacking energy: -145.678
Base-Backbone interact. energy: 0.308
local terms energy: -163.534073
where:
bonds (distance) C4'-P energy: -31.824
bonds (distance) P-C4' energy: -28.988
flat angles C4'-P-C4' energy: -35.741
flat angles P-C4'-P energy: -24.492
tors. eta vs tors. theta energy: -42.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -518.767058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.767058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.767058 (E_RNA)
where:
Base-Base interactions energy: -360.603
where: short stacking energy: -150.576
Base-Backbone interact. energy: -0.142
local terms energy: -158.022406
where:
bonds (distance) C4'-P energy: -30.334
bonds (distance) P-C4' energy: -25.573
flat angles C4'-P-C4' energy: -30.824
flat angles P-C4'-P energy: -23.882
tors. eta vs tors. theta energy: -47.409
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: 272
Temperature: 1.100000
Total energy: -461.845991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.845991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.845991 (E_RNA)
where:
Base-Base interactions energy: -314.936
where: short stacking energy: -147.564
Base-Backbone interact. energy: 0.354
local terms energy: -147.264132
where:
bonds (distance) C4'-P energy: -27.444
bonds (distance) P-C4' energy: -25.818
flat angles C4'-P-C4' energy: -27.195
flat angles P-C4'-P energy: -24.820
tors. eta vs tors. theta energy: -41.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -437.417255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.417255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.417255 (E_RNA)
where:
Base-Base interactions energy: -301.244
where: short stacking energy: -121.271
Base-Backbone interact. energy: -0.697
local terms energy: -135.476542
where:
bonds (distance) C4'-P energy: -34.024
bonds (distance) P-C4' energy: -20.084
flat angles C4'-P-C4' energy: -30.129
flat angles P-C4'-P energy: -19.974
tors. eta vs tors. theta energy: -31.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -413.509659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.509659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.509659 (E_RNA)
where:
Base-Base interactions energy: -293.132
where: short stacking energy: -127.799
Base-Backbone interact. energy: -0.298
local terms energy: -120.080239
where:
bonds (distance) C4'-P energy: -19.400
bonds (distance) P-C4' energy: -23.383
flat angles C4'-P-C4' energy: -28.787
flat angles P-C4'-P energy: -18.434
tors. eta vs tors. theta energy: -30.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -356.125305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.125305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.125305 (E_RNA)
where:
Base-Base interactions energy: -238.544
where: short stacking energy: -106.033
Base-Backbone interact. energy: 1.306
local terms energy: -118.887339
where:
bonds (distance) C4'-P energy: -23.673
bonds (distance) P-C4' energy: -22.998
flat angles C4'-P-C4' energy: -29.900
flat angles P-C4'-P energy: -16.356
tors. eta vs tors. theta energy: -25.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -231.060674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.060674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.060674 (E_RNA)
where:
Base-Base interactions energy: -133.565
where: short stacking energy: -69.161
Base-Backbone interact. energy: -0.533
local terms energy: -96.962774
where:
bonds (distance) C4'-P energy: -29.273
bonds (distance) P-C4' energy: -24.510
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -19.941
tors. eta vs tors. theta energy: -7.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -136.278233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.278233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.278233 (E_RNA)
where:
Base-Base interactions energy: -57.818
where: short stacking energy: -55.015
Base-Backbone interact. energy: 1.600
local terms energy: -80.060283
where:
bonds (distance) C4'-P energy: -21.874
bonds (distance) P-C4' energy: -26.032
flat angles C4'-P-C4' energy: -19.059
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -2.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -536.748446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.748446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.748446 (E_RNA)
where:
Base-Base interactions energy: -378.742
where: short stacking energy: -162.240
Base-Backbone interact. energy: -0.019
local terms energy: -157.987739
where:
bonds (distance) C4'-P energy: -19.934
bonds (distance) P-C4' energy: -29.180
flat angles C4'-P-C4' energy: -35.192
flat angles P-C4'-P energy: -24.261
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: 2, replica: 8
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -530.446468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.446468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.446468 (E_RNA)
where:
Base-Base interactions energy: -370.851
where: short stacking energy: -162.531
Base-Backbone interact. energy: -0.009
local terms energy: -159.586781
where:
bonds (distance) C4'-P energy: -23.734
bonds (distance) P-C4' energy: -29.602
flat angles C4'-P-C4' energy: -29.492
flat angles P-C4'-P energy: -27.108
tors. eta vs tors. theta energy: -49.652
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: 7
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -517.211749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.211749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.211749 (E_RNA)
where:
Base-Base interactions energy: -360.521
where: short stacking energy: -141.820
Base-Backbone interact. energy: -0.145
local terms energy: -156.546324
where:
bonds (distance) C4'-P energy: -24.028
bonds (distance) P-C4' energy: -30.710
flat angles C4'-P-C4' energy: -30.191
flat angles P-C4'-P energy: -23.969
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: 4, replica: 2
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -450.159603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.159603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.159603 (E_RNA)
where:
Base-Base interactions energy: -311.256
where: short stacking energy: -144.239
Base-Backbone interact. energy: -0.376
local terms energy: -138.527706
where:
bonds (distance) C4'-P energy: -22.154
bonds (distance) P-C4' energy: -22.784
flat angles C4'-P-C4' energy: -30.626
flat angles P-C4'-P energy: -20.163
tors. eta vs tors. theta energy: -42.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -504.817807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.817807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.817807 (E_RNA)
where:
Base-Base interactions energy: -354.250
where: short stacking energy: -146.666
Base-Backbone interact. energy: -0.340
local terms energy: -150.227837
where:
bonds (distance) C4'-P energy: -26.044
bonds (distance) P-C4' energy: -25.368
flat angles C4'-P-C4' energy: -31.882
flat angles P-C4'-P energy: -20.542
tors. eta vs tors. theta energy: -46.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -418.953767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.953767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.953767 (E_RNA)
where:
Base-Base interactions energy: -288.162
where: short stacking energy: -119.115
Base-Backbone interact. energy: -0.609
local terms energy: -130.182718
where:
bonds (distance) C4'-P energy: -22.909
bonds (distance) P-C4' energy: -33.155
flat angles C4'-P-C4' energy: -28.588
flat angles P-C4'-P energy: -15.870
tors. eta vs tors. theta energy: -29.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -401.361467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.361467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.361467 (E_RNA)
where:
Base-Base interactions energy: -277.333
where: short stacking energy: -110.232
Base-Backbone interact. energy: -0.555
local terms energy: -123.473327
where:
bonds (distance) C4'-P energy: -19.645
bonds (distance) P-C4' energy: -29.637
flat angles C4'-P-C4' energy: -27.574
flat angles P-C4'-P energy: -15.339
tors. eta vs tors. theta energy: -31.278
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: 4
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -349.493083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.493083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.493083 (E_RNA)
where:
Base-Base interactions energy: -230.853
where: short stacking energy: -94.767
Base-Backbone interact. energy: 0.219
local terms energy: -118.858678
where:
bonds (distance) C4'-P energy: -23.903
bonds (distance) P-C4' energy: -23.620
flat angles C4'-P-C4' energy: -28.004
flat angles P-C4'-P energy: -17.595
tors. eta vs tors. theta energy: -25.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -231.642199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.642199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.642199 (E_RNA)
where:
Base-Base interactions energy: -129.941
where: short stacking energy: -67.113
Base-Backbone interact. energy: 2.437
local terms energy: -104.138128
where:
bonds (distance) C4'-P energy: -23.187
bonds (distance) P-C4' energy: -26.605
flat angles C4'-P-C4' energy: -23.725
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -15.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -147.691346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.691346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.691346 (E_RNA)
where:
Base-Base interactions energy: -57.705
where: short stacking energy: -36.971
Base-Backbone interact. energy: -0.335
local terms energy: -89.651497
where:
bonds (distance) C4'-P energy: -18.790
bonds (distance) P-C4' energy: -26.803
flat angles C4'-P-C4' energy: -21.143
flat angles P-C4'-P energy: -16.361
tors. eta vs tors. theta energy: -6.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -534.030298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.030298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.030298 (E_RNA)
where:
Base-Base interactions energy: -377.835
where: short stacking energy: -160.944
Base-Backbone interact. energy: -0.171
local terms energy: -156.024208
where:
bonds (distance) C4'-P energy: -25.981
bonds (distance) P-C4' energy: -25.547
flat angles C4'-P-C4' energy: -32.256
flat angles P-C4'-P energy: -21.940
tors. eta vs tors. theta energy: -50.300
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: 274
Temperature: 0.950000
Total energy: -531.922974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.922974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.922974 (E_RNA)
where:
Base-Base interactions energy: -364.730
where: short stacking energy: -155.595
Base-Backbone interact. energy: -0.598
local terms energy: -166.594694
where:
bonds (distance) C4'-P energy: -27.465
bonds (distance) P-C4' energy: -31.281
flat angles C4'-P-C4' energy: -33.197
flat angles P-C4'-P energy: -25.014
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: 3, replica: 7
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -526.081911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.081911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.081911 (E_RNA)
where:
Base-Base interactions energy: -373.848
where: short stacking energy: -153.335
Base-Backbone interact. energy: -0.168
local terms energy: -152.065930
where:
bonds (distance) C4'-P energy: -29.160
bonds (distance) P-C4' energy: -24.611
flat angles C4'-P-C4' energy: -31.112
flat angles P-C4'-P energy: -24.170
tors. eta vs tors. theta energy: -43.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -474.036403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.036403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.036403 (E_RNA)
where:
Base-Base interactions energy: -325.191
where: short stacking energy: -144.862
Base-Backbone interact. energy: 0.156
local terms energy: -149.000846
where:
bonds (distance) C4'-P energy: -25.287
bonds (distance) P-C4' energy: -26.884
flat angles C4'-P-C4' energy: -36.150
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -45.888
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: 5, replica: 6
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -507.623868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.623868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.623868 (E_RNA)
where:
Base-Base interactions energy: -365.784
where: short stacking energy: -146.281
Base-Backbone interact. energy: -0.717
local terms energy: -141.122959
where:
bonds (distance) C4'-P energy: -27.986
bonds (distance) P-C4' energy: -21.770
flat angles C4'-P-C4' energy: -28.325
flat angles P-C4'-P energy: -24.077
tors. eta vs tors. theta energy: -38.965
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: 3
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -444.719861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.719861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.719861 (E_RNA)
where:
Base-Base interactions energy: -315.719
where: short stacking energy: -138.875
Base-Backbone interact. energy: -0.042
local terms energy: -128.958753
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -20.546
flat angles C4'-P-C4' energy: -31.468
flat angles P-C4'-P energy: -20.405
tors. eta vs tors. theta energy: -40.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -377.380258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.380258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.380258 (E_RNA)
where:
Base-Base interactions energy: -256.085
where: short stacking energy: -115.438
Base-Backbone interact. energy: -0.189
local terms energy: -121.105568
where:
bonds (distance) C4'-P energy: -21.282
bonds (distance) P-C4' energy: -24.083
flat angles C4'-P-C4' energy: -27.481
flat angles P-C4'-P energy: -17.475
tors. eta vs tors. theta energy: -30.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -325.226294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.226294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.226294 (E_RNA)
where:
Base-Base interactions energy: -219.167
where: short stacking energy: -86.876
Base-Backbone interact. energy: 0.091
local terms energy: -106.149679
where:
bonds (distance) C4'-P energy: -23.624
bonds (distance) P-C4' energy: -22.498
flat angles C4'-P-C4' energy: -18.937
flat angles P-C4'-P energy: -21.900
tors. eta vs tors. theta energy: -19.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -267.609919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.609919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.609919 (E_RNA)
where:
Base-Base interactions energy: -164.767
where: short stacking energy: -78.730
Base-Backbone interact. energy: 1.758
local terms energy: -104.601056
where:
bonds (distance) C4'-P energy: -22.844
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -28.897
flat angles P-C4'-P energy: -18.204
tors. eta vs tors. theta energy: -17.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -131.429068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.429068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.429068 (E_RNA)
where:
Base-Base interactions energy: -42.062
where: short stacking energy: -42.062
Base-Backbone interact. energy: -0.364
local terms energy: -89.002585
where:
bonds (distance) C4'-P energy: -21.714
bonds (distance) P-C4' energy: -27.281
flat angles C4'-P-C4' energy: -25.465
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -1.582
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: 1, replica: 9
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -542.615393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.615393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.615393 (E_RNA)
where:
Base-Base interactions energy: -381.732
where: short stacking energy: -148.014
Base-Backbone interact. energy: -0.099
local terms energy: -160.784348
where:
bonds (distance) C4'-P energy: -32.158
bonds (distance) P-C4' energy: -29.526
flat angles C4'-P-C4' energy: -31.881
flat angles P-C4'-P energy: -23.143
tors. eta vs tors. theta energy: -44.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -518.765350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.765350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.765350 (E_RNA)
where:
Base-Base interactions energy: -369.244
where: short stacking energy: -157.783
Base-Backbone interact. energy: 0.645
local terms energy: -150.166152
where:
bonds (distance) C4'-P energy: -24.240
bonds (distance) P-C4' energy: -23.729
flat angles C4'-P-C4' energy: -32.248
flat angles P-C4'-P energy: -22.161
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: 3, replica: 7
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -520.176683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.176683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.176683 (E_RNA)
where:
Base-Base interactions energy: -369.545
where: short stacking energy: -155.384
Base-Backbone interact. energy: 0.931
local terms energy: -151.562138
where:
bonds (distance) C4'-P energy: -24.775
bonds (distance) P-C4' energy: -33.742
flat angles C4'-P-C4' energy: -26.847
flat angles P-C4'-P energy: -19.326
tors. eta vs tors. theta energy: -46.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -510.752999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.752999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.752999 (E_RNA)
where:
Base-Base interactions energy: -359.132
where: short stacking energy: -145.137
Base-Backbone interact. energy: -1.189
local terms energy: -150.432092
where:
bonds (distance) C4'-P energy: -25.848
bonds (distance) P-C4' energy: -28.185
flat angles C4'-P-C4' energy: -29.810
flat angles P-C4'-P energy: -22.338
tors. eta vs tors. theta energy: -44.251
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: 5, replica: 2
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -458.234028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.234028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.234028 (E_RNA)
where:
Base-Base interactions energy: -303.349
where: short stacking energy: -142.959
Base-Backbone interact. energy: -2.194
local terms energy: -152.690771
where:
bonds (distance) C4'-P energy: -23.735
bonds (distance) P-C4' energy: -29.111
flat angles C4'-P-C4' energy: -31.228
flat angles P-C4'-P energy: -25.167
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: 6, replica: 3
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -431.375374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.375374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.375374 (E_RNA)
where:
Base-Base interactions energy: -306.231
where: short stacking energy: -119.360
Base-Backbone interact. energy: -1.413
local terms energy: -123.731405
where:
bonds (distance) C4'-P energy: -19.970
bonds (distance) P-C4' energy: -24.360
flat angles C4'-P-C4' energy: -27.161
flat angles P-C4'-P energy: -16.967
tors. eta vs tors. theta energy: -35.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -347.275274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.275274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.275274 (E_RNA)
where:
Base-Base interactions energy: -233.790
where: short stacking energy: -109.661
Base-Backbone interact. energy: -0.292
local terms energy: -113.193942
where:
bonds (distance) C4'-P energy: -23.987
bonds (distance) P-C4' energy: -24.174
flat angles C4'-P-C4' energy: -21.019
flat angles P-C4'-P energy: -19.093
tors. eta vs tors. theta energy: -24.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -268.005954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.005954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.005954 (E_RNA)
where:
Base-Base interactions energy: -157.153
where: short stacking energy: -86.436
Base-Backbone interact. energy: -0.375
local terms energy: -110.477740
where:
bonds (distance) C4'-P energy: -20.236
bonds (distance) P-C4' energy: -27.381
flat angles C4'-P-C4' energy: -29.445
flat angles P-C4'-P energy: -15.554
tors. eta vs tors. theta energy: -17.862
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: 9, replica: 4
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -327.980707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.980707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.980707 (E_RNA)
where:
Base-Base interactions energy: -229.167
where: short stacking energy: -107.515
Base-Backbone interact. energy: -0.466
local terms energy: -98.348081
where:
bonds (distance) C4'-P energy: -20.459
bonds (distance) P-C4' energy: -20.128
flat angles C4'-P-C4' energy: -19.920
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -25.112
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: 10, replica: 5
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -134.875976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.875976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.875976 (E_RNA)
where:
Base-Base interactions energy: -56.225
where: short stacking energy: -52.048
Base-Backbone interact. energy: 0.383
local terms energy: -79.034517
where:
bonds (distance) C4'-P energy: -26.279
bonds (distance) P-C4' energy: -26.698
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: 2.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -541.473970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.473970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.473970 (E_RNA)
where:
Base-Base interactions energy: -386.022
where: short stacking energy: -160.276
Base-Backbone interact. energy: -0.745
local terms energy: -154.707085
where:
bonds (distance) C4'-P energy: -24.662
bonds (distance) P-C4' energy: -31.375
flat angles C4'-P-C4' energy: -32.489
flat angles P-C4'-P energy: -21.893
tors. eta vs tors. theta energy: -44.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -524.925134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.925134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.925134 (E_RNA)
where:
Base-Base interactions energy: -369.130
where: short stacking energy: -156.650
Base-Backbone interact. energy: -0.045
local terms energy: -155.750581
where:
bonds (distance) C4'-P energy: -23.432
bonds (distance) P-C4' energy: -26.676
flat angles C4'-P-C4' energy: -31.745
flat angles P-C4'-P energy: -24.731
tors. eta vs tors. theta energy: -49.166
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: 3, replica: 7
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -521.116752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.116752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.116752 (E_RNA)
where:
Base-Base interactions energy: -377.036
where: short stacking energy: -163.354
Base-Backbone interact. energy: -0.003
local terms energy: -144.078356
where:
bonds (distance) C4'-P energy: -19.861
bonds (distance) P-C4' energy: -25.677
flat angles C4'-P-C4' energy: -29.046
flat angles P-C4'-P energy: -23.494
tors. eta vs tors. theta energy: -46.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -510.846993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.846993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.846993 (E_RNA)
where:
Base-Base interactions energy: -366.278
where: short stacking energy: -157.671
Base-Backbone interact. energy: -0.604
local terms energy: -143.965549
where:
bonds (distance) C4'-P energy: -28.770
bonds (distance) P-C4' energy: -23.911
flat angles C4'-P-C4' energy: -32.404
flat angles P-C4'-P energy: -16.607
tors. eta vs tors. theta energy: -42.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -453.075517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.075517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.075517 (E_RNA)
where:
Base-Base interactions energy: -324.751
where: short stacking energy: -124.607
Base-Backbone interact. energy: -0.365
local terms energy: -127.959626
where:
bonds (distance) C4'-P energy: -22.350
bonds (distance) P-C4' energy: -30.882
flat angles C4'-P-C4' energy: -26.347
flat angles P-C4'-P energy: -14.327
tors. eta vs tors. theta energy: -34.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -445.507521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.507521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.507521 (E_RNA)
where:
Base-Base interactions energy: -311.774
where: short stacking energy: -145.647
Base-Backbone interact. energy: -0.995
local terms energy: -132.738344
where:
bonds (distance) C4'-P energy: -20.033
bonds (distance) P-C4' energy: -21.194
flat angles C4'-P-C4' energy: -33.881
flat angles P-C4'-P energy: -19.949
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: 7, replica: 1
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -387.270813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.270813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.270813 (E_RNA)
where:
Base-Base interactions energy: -263.288
where: short stacking energy: -103.806
Base-Backbone interact. energy: -0.119
local terms energy: -123.863891
where:
bonds (distance) C4'-P energy: -25.487
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -26.989
flat angles P-C4'-P energy: -19.255
tors. eta vs tors. theta energy: -29.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -268.278284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.278284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.278284 (E_RNA)
where:
Base-Base interactions energy: -154.701
where: short stacking energy: -86.672
Base-Backbone interact. energy: -0.272
local terms energy: -113.305269
where:
bonds (distance) C4'-P energy: -26.966
bonds (distance) P-C4' energy: -25.600
flat angles C4'-P-C4' energy: -22.245
flat angles P-C4'-P energy: -19.196
tors. eta vs tors. theta energy: -19.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -326.405116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.405116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.405116 (E_RNA)
where:
Base-Base interactions energy: -221.235
where: short stacking energy: -91.785
Base-Backbone interact. energy: 0.031
local terms energy: -105.200596
where:
bonds (distance) C4'-P energy: -26.743
bonds (distance) P-C4' energy: -24.463
flat angles C4'-P-C4' energy: -25.412
flat angles P-C4'-P energy: -15.575
tors. eta vs tors. theta energy: -13.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -124.329515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.329515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.329515 (E_RNA)
where:
Base-Base interactions energy: -42.569
where: short stacking energy: -38.101
Base-Backbone interact. energy: 0.729
local terms energy: -82.489729
where:
bonds (distance) C4'-P energy: -24.376
bonds (distance) P-C4' energy: -30.216
flat angles C4'-P-C4' energy: -22.272
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: 2.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -535.985559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.985559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.985559 (E_RNA)
where:
Base-Base interactions energy: -380.238
where: short stacking energy: -152.922
Base-Backbone interact. energy: -0.242
local terms energy: -155.505458
where:
bonds (distance) C4'-P energy: -30.108
bonds (distance) P-C4' energy: -28.716
flat angles C4'-P-C4' energy: -30.949
flat angles P-C4'-P energy: -20.790
tors. eta vs tors. theta energy: -44.941
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: 2, replica: 7
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -522.826671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.826671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.826671 (E_RNA)
where:
Base-Base interactions energy: -365.978
where: short stacking energy: -157.861
Base-Backbone interact. energy: -0.751
local terms energy: -156.097483
where:
bonds (distance) C4'-P energy: -29.642
bonds (distance) P-C4' energy: -26.811
flat angles C4'-P-C4' energy: -29.227
flat angles P-C4'-P energy: -22.362
tors. eta vs tors. theta energy: -48.055
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: 8
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -522.061661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.061661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.061661 (E_RNA)
where:
Base-Base interactions energy: -366.251
where: short stacking energy: -150.857
Base-Backbone interact. energy: -0.007
local terms energy: -155.803590
where:
bonds (distance) C4'-P energy: -30.278
bonds (distance) P-C4' energy: -23.572
flat angles C4'-P-C4' energy: -32.901
flat angles P-C4'-P energy: -21.504
tors. eta vs tors. theta energy: -47.549
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: 4, replica: 6
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -522.821879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.821879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.821879 (E_RNA)
where:
Base-Base interactions energy: -363.125
where: short stacking energy: -155.067
Base-Backbone interact. energy: -0.193
local terms energy: -159.504420
where:
bonds (distance) C4'-P energy: -26.484
bonds (distance) P-C4' energy: -32.642
flat angles C4'-P-C4' energy: -31.383
flat angles P-C4'-P energy: -22.742
tors. eta vs tors. theta energy: -46.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -445.891224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.891224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.891224 (E_RNA)
where:
Base-Base interactions energy: -318.372
where: short stacking energy: -128.311
Base-Backbone interact. energy: -0.679
local terms energy: -126.839882
where:
bonds (distance) C4'-P energy: -21.014
bonds (distance) P-C4' energy: -22.134
flat angles C4'-P-C4' energy: -28.671
flat angles P-C4'-P energy: -15.604
tors. eta vs tors. theta energy: -39.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -441.622649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.622649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.622649 (E_RNA)
where:
Base-Base interactions energy: -308.487
where: short stacking energy: -142.491
Base-Backbone interact. energy: -0.384
local terms energy: -132.751918
where:
bonds (distance) C4'-P energy: -25.304
bonds (distance) P-C4' energy: -25.964
flat angles C4'-P-C4' energy: -24.340
flat angles P-C4'-P energy: -18.393
tors. eta vs tors. theta energy: -38.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -383.598358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.598358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.598358 (E_RNA)
where:
Base-Base interactions energy: -263.828
where: short stacking energy: -116.201
Base-Backbone interact. energy: -0.606
local terms energy: -119.164456
where:
bonds (distance) C4'-P energy: -22.618
bonds (distance) P-C4' energy: -25.898
flat angles C4'-P-C4' energy: -25.722
flat angles P-C4'-P energy: -20.976
tors. eta vs tors. theta energy: -23.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -364.916715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.916715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.916715 (E_RNA)
where:
Base-Base interactions energy: -250.131
where: short stacking energy: -112.955
Base-Backbone interact. energy: 1.154
local terms energy: -115.939724
where:
bonds (distance) C4'-P energy: -22.764
bonds (distance) P-C4' energy: -25.909
flat angles C4'-P-C4' energy: -21.950
flat angles P-C4'-P energy: -17.503
tors. eta vs tors. theta energy: -27.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -223.219660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.219660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.219660 (E_RNA)
where:
Base-Base interactions energy: -113.130
where: short stacking energy: -53.789
Base-Backbone interact. energy: 1.387
local terms energy: -111.476383
where:
bonds (distance) C4'-P energy: -20.632
bonds (distance) P-C4' energy: -30.454
flat angles C4'-P-C4' energy: -29.791
flat angles P-C4'-P energy: -21.445
tors. eta vs tors. theta energy: -9.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -124.394706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.394706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.394706 (E_RNA)
where:
Base-Base interactions energy: -42.862
where: short stacking energy: -41.475
Base-Backbone interact. energy: -0.127
local terms energy: -81.405750
where:
bonds (distance) C4'-P energy: -18.394
bonds (distance) P-C4' energy: -25.288
flat angles C4'-P-C4' energy: -20.115
flat angles P-C4'-P energy: -16.816
tors. eta vs tors. theta energy: -0.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -541.547966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.547966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.547966 (E_RNA)
where:
Base-Base interactions energy: -377.982
where: short stacking energy: -149.977
Base-Backbone interact. energy: -0.082
local terms energy: -163.484671
where:
bonds (distance) C4'-P energy: -31.087
bonds (distance) P-C4' energy: -32.370
flat angles C4'-P-C4' energy: -31.421
flat angles P-C4'-P energy: -23.254
tors. eta vs tors. theta energy: -45.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -521.630875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.630875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.630875 (E_RNA)
where:
Base-Base interactions energy: -365.664
where: short stacking energy: -144.092
Base-Backbone interact. energy: -0.499
local terms energy: -155.467612
where:
bonds (distance) C4'-P energy: -29.870
bonds (distance) P-C4' energy: -28.482
flat angles C4'-P-C4' energy: -29.161
flat angles P-C4'-P energy: -21.833
tors. eta vs tors. theta energy: -46.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -514.931562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.931562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.931562 (E_RNA)
where:
Base-Base interactions energy: -368.363
where: short stacking energy: -160.509
Base-Backbone interact. energy: -0.116
local terms energy: -146.452647
where:
bonds (distance) C4'-P energy: -20.003
bonds (distance) P-C4' energy: -28.056
flat angles C4'-P-C4' energy: -28.184
flat angles P-C4'-P energy: -24.398
tors. eta vs tors. theta energy: -45.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -514.518144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.518144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.518144 (E_RNA)
where:
Base-Base interactions energy: -362.469
where: short stacking energy: -151.843
Base-Backbone interact. energy: -0.268
local terms energy: -151.781612
where:
bonds (distance) C4'-P energy: -28.439
bonds (distance) P-C4' energy: -25.919
flat angles C4'-P-C4' energy: -32.480
flat angles P-C4'-P energy: -17.677
tors. eta vs tors. theta energy: -47.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -453.463367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.463367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.463367 (E_RNA)
where:
Base-Base interactions energy: -313.318
where: short stacking energy: -144.666
Base-Backbone interact. energy: -0.610
local terms energy: -139.535165
where:
bonds (distance) C4'-P energy: -23.333
bonds (distance) P-C4' energy: -29.667
flat angles C4'-P-C4' energy: -29.444
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -44.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -422.287884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.287884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.287884 (E_RNA)
where:
Base-Base interactions energy: -299.080
where: short stacking energy: -116.318
Base-Backbone interact. energy: -0.538
local terms energy: -122.670114
where:
bonds (distance) C4'-P energy: -23.876
bonds (distance) P-C4' energy: -26.983
flat angles C4'-P-C4' energy: -26.982
flat angles P-C4'-P energy: -15.767
tors. eta vs tors. theta energy: -29.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -380.695302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.695302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.695302 (E_RNA)
where:
Base-Base interactions energy: -263.895
where: short stacking energy: -96.900
Base-Backbone interact. energy: -0.184
local terms energy: -116.616339
where:
bonds (distance) C4'-P energy: -24.252
bonds (distance) P-C4' energy: -30.711
flat angles C4'-P-C4' energy: -24.494
flat angles P-C4'-P energy: -14.190
tors. eta vs tors. theta energy: -22.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -351.724677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.724677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.724677 (E_RNA)
where:
Base-Base interactions energy: -233.516
where: short stacking energy: -107.165
Base-Backbone interact. energy: 0.477
local terms energy: -118.684838
where:
bonds (distance) C4'-P energy: -26.982
bonds (distance) P-C4' energy: -23.326
flat angles C4'-P-C4' energy: -26.505
flat angles P-C4'-P energy: -17.131
tors. eta vs tors. theta energy: -24.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -239.591659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.591659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.591659 (E_RNA)
where:
Base-Base interactions energy: -139.701
where: short stacking energy: -72.217
Base-Backbone interact. energy: 0.696
local terms energy: -100.586822
where:
bonds (distance) C4'-P energy: -25.957
bonds (distance) P-C4' energy: -24.868
flat angles C4'-P-C4' energy: -22.821
flat angles P-C4'-P energy: -17.324
tors. eta vs tors. theta energy: -9.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -122.706700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.706700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.706700 (E_RNA)
where:
Base-Base interactions energy: -47.358
where: short stacking energy: -46.501
Base-Backbone interact. energy: 0.383
local terms energy: -75.731880
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -23.312
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -16.206
tors. eta vs tors. theta energy: -2.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -545.181836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.181836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.181836 (E_RNA)
where:
Base-Base interactions energy: -379.696
where: short stacking energy: -165.594
Base-Backbone interact. energy: -0.645
local terms energy: -164.840886
where:
bonds (distance) C4'-P energy: -27.938
bonds (distance) P-C4' energy: -31.173
flat angles C4'-P-C4' energy: -30.474
flat angles P-C4'-P energy: -27.151
tors. eta vs tors. theta energy: -48.105
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: 6
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -527.336324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.336324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.336324 (E_RNA)
where:
Base-Base interactions energy: -370.890
where: short stacking energy: -148.027
Base-Backbone interact. energy: -0.272
local terms energy: -156.174317
where:
bonds (distance) C4'-P energy: -23.814
bonds (distance) P-C4' energy: -30.655
flat angles C4'-P-C4' energy: -33.951
flat angles P-C4'-P energy: -23.069
tors. eta vs tors. theta energy: -44.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -516.144846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.144846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.144846 (E_RNA)
where:
Base-Base interactions energy: -372.914
where: short stacking energy: -155.179
Base-Backbone interact. energy: 0.819
local terms energy: -144.048976
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -31.279
flat angles C4'-P-C4' energy: -32.885
flat angles P-C4'-P energy: -16.766
tors. eta vs tors. theta energy: -46.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -518.583788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.583788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.583788 (E_RNA)
where:
Base-Base interactions energy: -358.821
where: short stacking energy: -146.219
Base-Backbone interact. energy: -0.107
local terms energy: -159.655387
where:
bonds (distance) C4'-P energy: -27.962
bonds (distance) P-C4' energy: -25.031
flat angles C4'-P-C4' energy: -34.806
flat angles P-C4'-P energy: -24.574
tors. eta vs tors. theta energy: -47.282
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: 2
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -455.578504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.578504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.578504 (E_RNA)
where:
Base-Base interactions energy: -307.897
where: short stacking energy: -136.054
Base-Backbone interact. energy: -0.205
local terms energy: -147.477000
where:
bonds (distance) C4'-P energy: -27.327
bonds (distance) P-C4' energy: -25.521
flat angles C4'-P-C4' energy: -28.428
flat angles P-C4'-P energy: -21.459
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: 6, replica: 3
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -418.364705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.364705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.364705 (E_RNA)
where:
Base-Base interactions energy: -287.753
where: short stacking energy: -117.953
Base-Backbone interact. energy: -0.839
local terms energy: -129.772624
where:
bonds (distance) C4'-P energy: -28.810
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -29.628
flat angles P-C4'-P energy: -21.614
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: 7, replica: 4
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -412.805948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.805948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.805948 (E_RNA)
where:
Base-Base interactions energy: -285.996
where: short stacking energy: -129.953
Base-Backbone interact. energy: -0.441
local terms energy: -126.368299
where:
bonds (distance) C4'-P energy: -21.194
bonds (distance) P-C4' energy: -20.396
flat angles C4'-P-C4' energy: -28.199
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: -35.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -339.949671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.949671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.949671 (E_RNA)
where:
Base-Base interactions energy: -236.306
where: short stacking energy: -104.008
Base-Backbone interact. energy: -1.066
local terms energy: -102.578274
where:
bonds (distance) C4'-P energy: -21.864
bonds (distance) P-C4' energy: -21.062
flat angles C4'-P-C4' energy: -24.579
flat angles P-C4'-P energy: -12.480
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: 10
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -220.855716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.855716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.855716 (E_RNA)
where:
Base-Base interactions energy: -124.420
where: short stacking energy: -66.531
Base-Backbone interact. energy: -0.245
local terms energy: -96.190819
where:
bonds (distance) C4'-P energy: -21.953
bonds (distance) P-C4' energy: -29.488
flat angles C4'-P-C4' energy: -22.394
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: -8.603
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: 5
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -130.203382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.203382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.203382 (E_RNA)
where:
Base-Base interactions energy: -48.817
where: short stacking energy: -38.588
Base-Backbone interact. energy: -0.782
local terms energy: -80.603887
where:
bonds (distance) C4'-P energy: -24.991
bonds (distance) P-C4' energy: -28.268
flat angles C4'-P-C4' energy: -20.167
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: 4.571
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: 1, replica: 9
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -535.089726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.089726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.089726 (E_RNA)
where:
Base-Base interactions energy: -371.901
where: short stacking energy: -157.652
Base-Backbone interact. energy: -0.651
local terms energy: -162.537234
where:
bonds (distance) C4'-P energy: -28.794
bonds (distance) P-C4' energy: -30.279
flat angles C4'-P-C4' energy: -32.338
flat angles P-C4'-P energy: -21.715
tors. eta vs tors. theta energy: -49.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -531.252066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.252066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.252066 (E_RNA)
where:
Base-Base interactions energy: -377.058
where: short stacking energy: -151.369
Base-Backbone interact. energy: 0.663
local terms energy: -154.857133
where:
bonds (distance) C4'-P energy: -27.876
bonds (distance) P-C4' energy: -25.835
flat angles C4'-P-C4' energy: -31.615
flat angles P-C4'-P energy: -24.163
tors. eta vs tors. theta energy: -45.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -532.263263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.263263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.263263 (E_RNA)
where:
Base-Base interactions energy: -369.267
where: short stacking energy: -155.019
Base-Backbone interact. energy: -0.023
local terms energy: -162.973508
where:
bonds (distance) C4'-P energy: -26.814
bonds (distance) P-C4' energy: -26.131
flat angles C4'-P-C4' energy: -35.540
flat angles P-C4'-P energy: -26.437
tors. eta vs tors. theta energy: -48.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -506.420246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.420246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.420246 (E_RNA)
where:
Base-Base interactions energy: -363.436
where: short stacking energy: -146.956
Base-Backbone interact. energy: -0.101
local terms energy: -142.882952
where:
bonds (distance) C4'-P energy: -26.204
bonds (distance) P-C4' energy: -25.835
flat angles C4'-P-C4' energy: -25.915
flat angles P-C4'-P energy: -22.846
tors. eta vs tors. theta energy: -42.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -444.107246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.107246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.107246 (E_RNA)
where:
Base-Base interactions energy: -298.529
where: short stacking energy: -131.580
Base-Backbone interact. energy: -1.426
local terms energy: -144.152310
where:
bonds (distance) C4'-P energy: -24.465
bonds (distance) P-C4' energy: -32.024
flat angles C4'-P-C4' energy: -28.076
flat angles P-C4'-P energy: -19.803
tors. eta vs tors. theta energy: -39.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -415.939073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.939073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.939073 (E_RNA)
where:
Base-Base interactions energy: -298.400
where: short stacking energy: -120.287
Base-Backbone interact. energy: -0.120
local terms energy: -117.419071
where:
bonds (distance) C4'-P energy: -23.217
bonds (distance) P-C4' energy: -23.877
flat angles C4'-P-C4' energy: -22.250
flat angles P-C4'-P energy: -16.362
tors. eta vs tors. theta energy: -31.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -395.357415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.357415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.357415 (E_RNA)
where:
Base-Base interactions energy: -275.958
where: short stacking energy: -113.250
Base-Backbone interact. energy: -0.347
local terms energy: -119.051891
where:
bonds (distance) C4'-P energy: -21.309
bonds (distance) P-C4' energy: -24.182
flat angles C4'-P-C4' energy: -22.766
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: -33.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -356.555651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.555651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.555651 (E_RNA)
where:
Base-Base interactions energy: -234.869
where: short stacking energy: -91.359
Base-Backbone interact. energy: -0.349
local terms energy: -121.337146
where:
bonds (distance) C4'-P energy: -19.633
bonds (distance) P-C4' energy: -28.235
flat angles C4'-P-C4' energy: -32.480
flat angles P-C4'-P energy: -14.983
tors. eta vs tors. theta energy: -26.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -235.127586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.127586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.127586 (E_RNA)
where:
Base-Base interactions energy: -136.408
where: short stacking energy: -70.136
Base-Backbone interact. energy: -0.143
local terms energy: -98.577036
where:
bonds (distance) C4'-P energy: -24.706
bonds (distance) P-C4' energy: -23.342
flat angles C4'-P-C4' energy: -27.264
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -11.426
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: 5
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -136.132813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.132813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.132813 (E_RNA)
where:
Base-Base interactions energy: -53.752
where: short stacking energy: -37.129
Base-Backbone interact. energy: -0.204
local terms energy: -82.176066
where:
bonds (distance) C4'-P energy: -28.421
bonds (distance) P-C4' energy: -24.904
flat angles C4'-P-C4' energy: -22.225
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: 2.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -536.746594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.746594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.746594 (E_RNA)
where:
Base-Base interactions energy: -382.766
where: short stacking energy: -161.840
Base-Backbone interact. energy: -0.330
local terms energy: -153.651078
where:
bonds (distance) C4'-P energy: -21.961
bonds (distance) P-C4' energy: -31.770
flat angles C4'-P-C4' energy: -32.304
flat angles P-C4'-P energy: -21.308
tors. eta vs tors. theta energy: -46.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -529.154991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.154991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.154991 (E_RNA)
where:
Base-Base interactions energy: -380.364
where: short stacking energy: -164.534
Base-Backbone interact. energy: -0.026
local terms energy: -148.765505
where:
bonds (distance) C4'-P energy: -28.731
bonds (distance) P-C4' energy: -27.746
flat angles C4'-P-C4' energy: -28.348
flat angles P-C4'-P energy: -17.870
tors. eta vs tors. theta energy: -46.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -520.415161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.415161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.415161 (E_RNA)
where:
Base-Base interactions energy: -363.478
where: short stacking energy: -151.833
Base-Backbone interact. energy: -0.757
local terms energy: -156.180046
where:
bonds (distance) C4'-P energy: -24.355
bonds (distance) P-C4' energy: -31.566
flat angles C4'-P-C4' energy: -31.080
flat angles P-C4'-P energy: -23.246
tors. eta vs tors. theta energy: -45.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -510.911635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.911635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.911635 (E_RNA)
where:
Base-Base interactions energy: -369.838
where: short stacking energy: -152.818
Base-Backbone interact. energy: -0.901
local terms energy: -140.172684
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -27.833
flat angles C4'-P-C4' energy: -32.947
flat angles P-C4'-P energy: -18.754
tors. eta vs tors. theta energy: -43.522
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: 2
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -450.118693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.118693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.118693 (E_RNA)
where:
Base-Base interactions energy: -304.123
where: short stacking energy: -145.380
Base-Backbone interact. energy: -0.542
local terms energy: -145.453233
where:
bonds (distance) C4'-P energy: -24.749
bonds (distance) P-C4' energy: -27.628
flat angles C4'-P-C4' energy: -30.375
flat angles P-C4'-P energy: -19.777
tors. eta vs tors. theta energy: -42.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -440.274548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.274548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.274548 (E_RNA)
where:
Base-Base interactions energy: -312.014
where: short stacking energy: -129.818
Base-Backbone interact. energy: -0.772
local terms energy: -127.487851
where:
bonds (distance) C4'-P energy: -26.681
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -27.405
flat angles P-C4'-P energy: -15.350
tors. eta vs tors. theta energy: -40.982
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: 4
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -370.667744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.667744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.667744 (E_RNA)
where:
Base-Base interactions energy: -255.376
where: short stacking energy: -104.836
Base-Backbone interact. energy: -0.568
local terms energy: -114.723276
where:
bonds (distance) C4'-P energy: -31.849
bonds (distance) P-C4' energy: -19.211
flat angles C4'-P-C4' energy: -24.263
flat angles P-C4'-P energy: -18.893
tors. eta vs tors. theta energy: -20.508
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: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -370.835413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.835413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.835413 (E_RNA)
where:
Base-Base interactions energy: -258.856
where: short stacking energy: -104.175
Base-Backbone interact. energy: -0.179
local terms energy: -111.800974
where:
bonds (distance) C4'-P energy: -23.656
bonds (distance) P-C4' energy: -25.632
flat angles C4'-P-C4' energy: -20.153
flat angles P-C4'-P energy: -18.212
tors. eta vs tors. theta energy: -24.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -222.447207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.447207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.447207 (E_RNA)
where:
Base-Base interactions energy: -129.240
where: short stacking energy: -68.656
Base-Backbone interact. energy: -0.237
local terms energy: -92.969899
where:
bonds (distance) C4'-P energy: -26.458
bonds (distance) P-C4' energy: -25.137
flat angles C4'-P-C4' energy: -22.132
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -7.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -141.631526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.631526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.631526 (E_RNA)
where:
Base-Base interactions energy: -59.132
where: short stacking energy: -53.281
Base-Backbone interact. energy: -0.512
local terms energy: -81.987100
where:
bonds (distance) C4'-P energy: -21.398
bonds (distance) P-C4' energy: -29.966
flat angles C4'-P-C4' energy: -19.681
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -0.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -532.451100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.451100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.451100 (E_RNA)
where:
Base-Base interactions energy: -379.607
where: short stacking energy: -152.306
Base-Backbone interact. energy: -0.339
local terms energy: -152.504733
where:
bonds (distance) C4'-P energy: -24.602
bonds (distance) P-C4' energy: -29.745
flat angles C4'-P-C4' energy: -34.692
flat angles P-C4'-P energy: -19.389
tors. eta vs tors. theta energy: -44.077
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: 2, replica: 8
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -523.711116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.711116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.711116 (E_RNA)
where:
Base-Base interactions energy: -369.327
where: short stacking energy: -158.529
Base-Backbone interact. energy: -0.293
local terms energy: -154.091278
where:
bonds (distance) C4'-P energy: -26.917
bonds (distance) P-C4' energy: -24.667
flat angles C4'-P-C4' energy: -29.745
flat angles P-C4'-P energy: -23.979
tors. eta vs tors. theta energy: -48.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -515.196531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.196531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.196531 (E_RNA)
where:
Base-Base interactions energy: -363.998
where: short stacking energy: -151.235
Base-Backbone interact. energy: -0.243
local terms energy: -150.955407
where:
bonds (distance) C4'-P energy: -21.280
bonds (distance) P-C4' energy: -28.518
flat angles C4'-P-C4' energy: -32.890
flat angles P-C4'-P energy: -21.420
tors. eta vs tors. theta energy: -46.848
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: 7
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -503.000833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.000833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.000833 (E_RNA)
where:
Base-Base interactions energy: -365.535
where: short stacking energy: -143.198
Base-Backbone interact. energy: -0.480
local terms energy: -136.985508
where:
bonds (distance) C4'-P energy: -27.991
bonds (distance) P-C4' energy: -26.720
flat angles C4'-P-C4' energy: -26.016
flat angles P-C4'-P energy: -21.768
tors. eta vs tors. theta energy: -34.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -443.135435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.135435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.135435 (E_RNA)
where:
Base-Base interactions energy: -312.134
where: short stacking energy: -125.762
Base-Backbone interact. energy: -0.380
local terms energy: -130.620972
where:
bonds (distance) C4'-P energy: -27.265
bonds (distance) P-C4' energy: -28.125
flat angles C4'-P-C4' energy: -26.110
flat angles P-C4'-P energy: -16.120
tors. eta vs tors. theta energy: -33.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -433.361699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.361699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.361699 (E_RNA)
where:
Base-Base interactions energy: -288.044
where: short stacking energy: -138.607
Base-Backbone interact. energy: -0.275
local terms energy: -145.042248
where:
bonds (distance) C4'-P energy: -24.671
bonds (distance) P-C4' energy: -32.116
flat angles C4'-P-C4' energy: -33.665
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -42.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -381.490929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.490929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.490929 (E_RNA)
where:
Base-Base interactions energy: -259.334
where: short stacking energy: -106.016
Base-Backbone interact. energy: -0.103
local terms energy: -122.053118
where:
bonds (distance) C4'-P energy: -25.145
bonds (distance) P-C4' energy: -25.841
flat angles C4'-P-C4' energy: -22.254
flat angles P-C4'-P energy: -19.160
tors. eta vs tors. theta energy: -29.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -326.608480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.608480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.608480 (E_RNA)
where:
Base-Base interactions energy: -220.617
where: short stacking energy: -84.760
Base-Backbone interact. energy: -0.058
local terms energy: -105.933443
where:
bonds (distance) C4'-P energy: -23.483
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -28.055
flat angles P-C4'-P energy: -15.394
tors. eta vs tors. theta energy: -19.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -212.632016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.632016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.632016 (E_RNA)
where:
Base-Base interactions energy: -122.397
where: short stacking energy: -67.814
Base-Backbone interact. energy: -0.430
local terms energy: -89.804708
where:
bonds (distance) C4'-P energy: -22.426
bonds (distance) P-C4' energy: -23.909
flat angles C4'-P-C4' energy: -19.962
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -12.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -142.940610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.940610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.940610 (E_RNA)
where:
Base-Base interactions energy: -59.591
where: short stacking energy: -44.542
Base-Backbone interact. energy: 0.101
local terms energy: -83.450398
where:
bonds (distance) C4'-P energy: -25.737
bonds (distance) P-C4' energy: -23.440
flat angles C4'-P-C4' energy: -18.211
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -1.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -534.694400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.694400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.694400 (E_RNA)
where:
Base-Base interactions energy: -382.032
where: short stacking energy: -156.724
Base-Backbone interact. energy: -0.155
local terms energy: -152.507545
where:
bonds (distance) C4'-P energy: -31.154
bonds (distance) P-C4' energy: -24.171
flat angles C4'-P-C4' energy: -31.416
flat angles P-C4'-P energy: -17.870
tors. eta vs tors. theta energy: -47.897
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: 8
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -529.814476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.814476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.814476 (E_RNA)
where:
Base-Base interactions energy: -374.322
where: short stacking energy: -157.991
Base-Backbone interact. energy: -0.321
local terms energy: -155.171092
where:
bonds (distance) C4'-P energy: -22.464
bonds (distance) P-C4' energy: -30.293
flat angles C4'-P-C4' energy: -29.319
flat angles P-C4'-P energy: -26.968
tors. eta vs tors. theta energy: -46.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -514.937867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.937867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.937867 (E_RNA)
where:
Base-Base interactions energy: -363.101
where: short stacking energy: -147.958
Base-Backbone interact. energy: -0.021
local terms energy: -151.816482
where:
bonds (distance) C4'-P energy: -21.615
bonds (distance) P-C4' energy: -27.031
flat angles C4'-P-C4' energy: -33.220
flat angles P-C4'-P energy: -23.728
tors. eta vs tors. theta energy: -46.223
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: 3
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -458.855177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.855177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.855177 (E_RNA)
where:
Base-Base interactions energy: -315.095
where: short stacking energy: -137.671
Base-Backbone interact. energy: 0.701
local terms energy: -144.460686
where:
bonds (distance) C4'-P energy: -25.157
bonds (distance) P-C4' energy: -28.869
flat angles C4'-P-C4' energy: -29.445
flat angles P-C4'-P energy: -19.383
tors. eta vs tors. theta energy: -41.607
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: 5, replica: 7
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -503.584480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.584480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.584480 (E_RNA)
where:
Base-Base interactions energy: -360.470
where: short stacking energy: -140.240
Base-Backbone interact. energy: -0.150
local terms energy: -142.964444
where:
bonds (distance) C4'-P energy: -28.769
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -32.602
flat angles P-C4'-P energy: -21.124
tors. eta vs tors. theta energy: -39.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -418.580354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.580354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.580354 (E_RNA)
where:
Base-Base interactions energy: -285.323
where: short stacking energy: -133.271
Base-Backbone interact. energy: 1.007
local terms energy: -134.263861
where:
bonds (distance) C4'-P energy: -18.736
bonds (distance) P-C4' energy: -28.169
flat angles C4'-P-C4' energy: -31.134
flat angles P-C4'-P energy: -20.400
tors. eta vs tors. theta energy: -35.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -358.698259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.698259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.698259 (E_RNA)
where:
Base-Base interactions energy: -236.599
where: short stacking energy: -110.944
Base-Backbone interact. energy: -0.018
local terms energy: -122.081436
where:
bonds (distance) C4'-P energy: -24.450
bonds (distance) P-C4' energy: -32.368
flat angles C4'-P-C4' energy: -28.992
flat angles P-C4'-P energy: -14.184
tors. eta vs tors. theta energy: -22.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -336.352304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.352304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.352304 (E_RNA)
where:
Base-Base interactions energy: -233.174
where: short stacking energy: -97.927
Base-Backbone interact. energy: -0.403
local terms energy: -102.775372
where:
bonds (distance) C4'-P energy: -25.770
bonds (distance) P-C4' energy: -25.409
flat angles C4'-P-C4' energy: -23.829
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -17.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -212.725246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.725246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.725246 (E_RNA)
where:
Base-Base interactions energy: -127.730
where: short stacking energy: -64.934
Base-Backbone interact. energy: -0.328
local terms energy: -84.666809
where:
bonds (distance) C4'-P energy: -23.280
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -20.556
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -5.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -133.609152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.609152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.609152 (E_RNA)
where:
Base-Base interactions energy: -39.919
where: short stacking energy: -37.724
Base-Backbone interact. energy: 1.032
local terms energy: -94.722097
where:
bonds (distance) C4'-P energy: -18.708
bonds (distance) P-C4' energy: -26.476
flat angles C4'-P-C4' energy: -24.520
flat angles P-C4'-P energy: -22.821
tors. eta vs tors. theta energy: -2.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -531.374571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.374571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.374571 (E_RNA)
where:
Base-Base interactions energy: -376.716
where: short stacking energy: -154.056
Base-Backbone interact. energy: -0.142
local terms energy: -154.516934
where:
bonds (distance) C4'-P energy: -23.817
bonds (distance) P-C4' energy: -27.554
flat angles C4'-P-C4' energy: -34.220
flat angles P-C4'-P energy: -24.660
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: 2, replica: 8
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -535.324305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.324305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.324305 (E_RNA)
where:
Base-Base interactions energy: -378.099
where: short stacking energy: -166.935
Base-Backbone interact. energy: -0.724
local terms energy: -156.501227
where:
bonds (distance) C4'-P energy: -22.547
bonds (distance) P-C4' energy: -28.453
flat angles C4'-P-C4' energy: -34.734
flat angles P-C4'-P energy: -20.520
tors. eta vs tors. theta energy: -50.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -514.066675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.066675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.066675 (E_RNA)
where:
Base-Base interactions energy: -365.093
where: short stacking energy: -142.950
Base-Backbone interact. energy: -0.432
local terms energy: -148.542100
where:
bonds (distance) C4'-P energy: -25.491
bonds (distance) P-C4' energy: -28.986
flat angles C4'-P-C4' energy: -31.241
flat angles P-C4'-P energy: -21.960
tors. eta vs tors. theta energy: -40.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -487.806969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.806969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.806969 (E_RNA)
where:
Base-Base interactions energy: -335.510
where: short stacking energy: -130.055
Base-Backbone interact. energy: -0.116
local terms energy: -152.181425
where:
bonds (distance) C4'-P energy: -27.727
bonds (distance) P-C4' energy: -31.555
flat angles C4'-P-C4' energy: -31.755
flat angles P-C4'-P energy: -22.253
tors. eta vs tors. theta energy: -38.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -509.132203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.132203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.132203 (E_RNA)
where:
Base-Base interactions energy: -363.621
where: short stacking energy: -146.448
Base-Backbone interact. energy: -0.561
local terms energy: -144.950161
where:
bonds (distance) C4'-P energy: -25.401
bonds (distance) P-C4' energy: -24.451
flat angles C4'-P-C4' energy: -27.433
flat angles P-C4'-P energy: -24.355
tors. eta vs tors. theta energy: -43.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -417.116335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.116335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.116335 (E_RNA)
where:
Base-Base interactions energy: -279.510
where: short stacking energy: -131.871
Base-Backbone interact. energy: -0.494
local terms energy: -137.111418
where:
bonds (distance) C4'-P energy: -24.907
bonds (distance) P-C4' energy: -26.624
flat angles C4'-P-C4' energy: -30.152
flat angles P-C4'-P energy: -18.202
tors. eta vs tors. theta energy: -37.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -385.483198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.483198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.483198 (E_RNA)
where:
Base-Base interactions energy: -260.617
where: short stacking energy: -121.159
Base-Backbone interact. energy: -1.069
local terms energy: -123.796781
where:
bonds (distance) C4'-P energy: -23.767
bonds (distance) P-C4' energy: -31.067
flat angles C4'-P-C4' energy: -25.521
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -32.385
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: 284
Temperature: 1.250000
Total energy: -326.993360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.993360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.993360 (E_RNA)
where:
Base-Base interactions energy: -215.277
where: short stacking energy: -103.900
Base-Backbone interact. energy: -0.396
local terms energy: -111.320920
where:
bonds (distance) C4'-P energy: -26.851
bonds (distance) P-C4' energy: -21.636
flat angles C4'-P-C4' energy: -19.724
flat angles P-C4'-P energy: -21.235
tors. eta vs tors. theta energy: -21.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -226.986796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.986796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.986796 (E_RNA)
where:
Base-Base interactions energy: -145.098
where: short stacking energy: -64.833
Base-Backbone interact. energy: -0.208
local terms energy: -81.680710
where:
bonds (distance) C4'-P energy: -31.310
bonds (distance) P-C4' energy: -18.043
flat angles C4'-P-C4' energy: -19.858
flat angles P-C4'-P energy: -17.310
tors. eta vs tors. theta energy: 4.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -132.623307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.623307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.623307 (E_RNA)
where:
Base-Base interactions energy: -42.809
where: short stacking energy: -38.935
Base-Backbone interact. energy: -1.527
local terms energy: -88.287489
where:
bonds (distance) C4'-P energy: -30.279
bonds (distance) P-C4' energy: -25.053
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -15.459
tors. eta vs tors. theta energy: -0.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -536.191967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.191967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.191967 (E_RNA)
where:
Base-Base interactions energy: -370.793
where: short stacking energy: -161.475
Base-Backbone interact. energy: -0.002
local terms energy: -165.396840
where:
bonds (distance) C4'-P energy: -30.835
bonds (distance) P-C4' energy: -25.906
flat angles C4'-P-C4' energy: -34.750
flat angles P-C4'-P energy: -24.921
tors. eta vs tors. theta energy: -48.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -526.142793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.142793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.142793 (E_RNA)
where:
Base-Base interactions energy: -370.172
where: short stacking energy: -152.398
Base-Backbone interact. energy: -0.104
local terms energy: -155.866549
where:
bonds (distance) C4'-P energy: -30.963
bonds (distance) P-C4' energy: -28.978
flat angles C4'-P-C4' energy: -30.433
flat angles P-C4'-P energy: -18.522
tors. eta vs tors. theta energy: -46.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -510.661730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.661730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.661730 (E_RNA)
where:
Base-Base interactions energy: -360.659
where: short stacking energy: -147.983
Base-Backbone interact. energy: -0.148
local terms energy: -149.854752
where:
bonds (distance) C4'-P energy: -28.611
bonds (distance) P-C4' energy: -28.670
flat angles C4'-P-C4' energy: -32.682
flat angles P-C4'-P energy: -22.731
tors. eta vs tors. theta energy: -37.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -520.063764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.063764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.063764 (E_RNA)
where:
Base-Base interactions energy: -381.178
where: short stacking energy: -142.065
Base-Backbone interact. energy: -0.991
local terms energy: -137.894554
where:
bonds (distance) C4'-P energy: -27.818
bonds (distance) P-C4' energy: -26.198
flat angles C4'-P-C4' energy: -25.126
flat angles P-C4'-P energy: -17.734
tors. eta vs tors. theta energy: -41.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -463.198104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.198104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.198104 (E_RNA)
where:
Base-Base interactions energy: -329.247
where: short stacking energy: -132.603
Base-Backbone interact. energy: -0.677
local terms energy: -133.273648
where:
bonds (distance) C4'-P energy: -29.282
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -26.429
flat angles P-C4'-P energy: -16.356
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: 6, replica: 1
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -403.480296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.480296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.480296 (E_RNA)
where:
Base-Base interactions energy: -285.099
where: short stacking energy: -116.496
Base-Backbone interact. energy: -0.047
local terms energy: -118.334665
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -27.071
flat angles C4'-P-C4' energy: -30.216
flat angles P-C4'-P energy: -16.079
tors. eta vs tors. theta energy: -30.795
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: 285
Temperature: 1.200000
Total energy: -434.831774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.831774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.831774 (E_RNA)
where:
Base-Base interactions energy: -291.246
where: short stacking energy: -137.489
Base-Backbone interact. energy: -0.530
local terms energy: -143.055300
where:
bonds (distance) C4'-P energy: -28.595
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -29.355
flat angles P-C4'-P energy: -23.769
tors. eta vs tors. theta energy: -41.251
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: 8, replica: 4
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -351.686196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.686196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.686196 (E_RNA)
where:
Base-Base interactions energy: -247.455
where: short stacking energy: -102.236
Base-Backbone interact. energy: -0.675
local terms energy: -103.556267
where:
bonds (distance) C4'-P energy: -21.414
bonds (distance) P-C4' energy: -18.028
flat angles C4'-P-C4' energy: -20.041
flat angles P-C4'-P energy: -18.431
tors. eta vs tors. theta energy: -25.642
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: 10
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -309.037302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.037302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.037302 (E_RNA)
where:
Base-Base interactions energy: -204.574
where: short stacking energy: -83.932
Base-Backbone interact. energy: -0.922
local terms energy: -103.541074
where:
bonds (distance) C4'-P energy: -22.465
bonds (distance) P-C4' energy: -29.076
flat angles C4'-P-C4' energy: -24.290
flat angles P-C4'-P energy: -14.996
tors. eta vs tors. theta energy: -12.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -126.561224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.561224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.561224 (E_RNA)
where:
Base-Base interactions energy: -43.599
where: short stacking energy: -39.189
Base-Backbone interact. energy: 5.654
local terms energy: -88.616212
where:
bonds (distance) C4'-P energy: -23.470
bonds (distance) P-C4' energy: -30.594
flat angles C4'-P-C4' energy: -20.056
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -0.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -541.250275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.250275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.250275 (E_RNA)
where:
Base-Base interactions energy: -387.506
where: short stacking energy: -148.771
Base-Backbone interact. energy: -0.731
local terms energy: -153.013685
where:
bonds (distance) C4'-P energy: -26.977
bonds (distance) P-C4' energy: -26.417
flat angles C4'-P-C4' energy: -28.593
flat angles P-C4'-P energy: -23.359
tors. eta vs tors. theta energy: -47.668
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: 9
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -536.132330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.132330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.132330 (E_RNA)
where:
Base-Base interactions energy: -372.851
where: short stacking energy: -157.840
Base-Backbone interact. energy: -0.004
local terms energy: -163.276460
where:
bonds (distance) C4'-P energy: -28.115
bonds (distance) P-C4' energy: -33.554
flat angles C4'-P-C4' energy: -32.287
flat angles P-C4'-P energy: -20.082
tors. eta vs tors. theta energy: -49.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -509.884428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.884428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.884428 (E_RNA)
where:
Base-Base interactions energy: -371.480
where: short stacking energy: -140.580
Base-Backbone interact. energy: -0.154
local terms energy: -138.249982
where:
bonds (distance) C4'-P energy: -29.058
bonds (distance) P-C4' energy: -19.241
flat angles C4'-P-C4' energy: -29.454
flat angles P-C4'-P energy: -21.889
tors. eta vs tors. theta energy: -38.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -507.922860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.922860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.922860 (E_RNA)
where:
Base-Base interactions energy: -362.158
where: short stacking energy: -146.067
Base-Backbone interact. energy: -0.398
local terms energy: -145.366902
where:
bonds (distance) C4'-P energy: -27.295
bonds (distance) P-C4' energy: -28.124
flat angles C4'-P-C4' energy: -32.053
flat angles P-C4'-P energy: -18.696
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: 5, replica: 3
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -460.213349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.213349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.213349 (E_RNA)
where:
Base-Base interactions energy: -329.940
where: short stacking energy: -131.601
Base-Backbone interact. energy: 0.336
local terms energy: -130.610205
where:
bonds (distance) C4'-P energy: -27.395
bonds (distance) P-C4' energy: -27.023
flat angles C4'-P-C4' energy: -22.836
flat angles P-C4'-P energy: -17.590
tors. eta vs tors. theta energy: -35.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -424.607501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.607501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.607501 (E_RNA)
where:
Base-Base interactions energy: -294.237
where: short stacking energy: -123.040
Base-Backbone interact. energy: -0.921
local terms energy: -129.450047
where:
bonds (distance) C4'-P energy: -26.603
bonds (distance) P-C4' energy: -30.799
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -18.607
tors. eta vs tors. theta energy: -32.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -416.603668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.603668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.603668 (E_RNA)
where:
Base-Base interactions energy: -284.120
where: short stacking energy: -123.785
Base-Backbone interact. energy: -0.596
local terms energy: -131.887188
where:
bonds (distance) C4'-P energy: -22.728
bonds (distance) P-C4' energy: -24.938
flat angles C4'-P-C4' energy: -28.123
flat angles P-C4'-P energy: -19.975
tors. eta vs tors. theta energy: -36.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -398.458413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.458413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.458413 (E_RNA)
where:
Base-Base interactions energy: -296.667
where: short stacking energy: -110.221
Base-Backbone interact. energy: -0.691
local terms energy: -101.100600
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -22.075
flat angles C4'-P-C4' energy: -21.326
flat angles P-C4'-P energy: -15.102
tors. eta vs tors. theta energy: -25.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -332.021930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.021930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.021930 (E_RNA)
where:
Base-Base interactions energy: -218.170
where: short stacking energy: -92.129
Base-Backbone interact. energy: 1.081
local terms energy: -114.932711
where:
bonds (distance) C4'-P energy: -20.831
bonds (distance) P-C4' energy: -20.898
flat angles C4'-P-C4' energy: -31.409
flat angles P-C4'-P energy: -18.607
tors. eta vs tors. theta energy: -23.188
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: 5
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -131.997916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.997916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.997916 (E_RNA)
where:
Base-Base interactions energy: -51.916
where: short stacking energy: -49.633
Base-Backbone interact. energy: 1.815
local terms energy: -81.896692
where:
bonds (distance) C4'-P energy: -23.408
bonds (distance) P-C4' energy: -21.703
flat angles C4'-P-C4' energy: -22.927
flat angles P-C4'-P energy: -15.745
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: 1, replica: 8
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -535.406079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.406079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.406079 (E_RNA)
where:
Base-Base interactions energy: -378.221
where: short stacking energy: -151.905
Base-Backbone interact. energy: 0.786
local terms energy: -157.970965
where:
bonds (distance) C4'-P energy: -33.685
bonds (distance) P-C4' energy: -30.906
flat angles C4'-P-C4' energy: -29.151
flat angles P-C4'-P energy: -17.282
tors. eta vs tors. theta energy: -46.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -522.604001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.604001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.604001 (E_RNA)
where:
Base-Base interactions energy: -361.498
where: short stacking energy: -152.795
Base-Backbone interact. energy: -0.436
local terms energy: -160.669722
where:
bonds (distance) C4'-P energy: -29.722
bonds (distance) P-C4' energy: -23.090
flat angles C4'-P-C4' energy: -34.998
flat angles P-C4'-P energy: -26.855
tors. eta vs tors. theta energy: -46.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -509.748062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.748062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.748062 (E_RNA)
where:
Base-Base interactions energy: -362.536
where: short stacking energy: -155.698
Base-Backbone interact. energy: -0.058
local terms energy: -147.154823
where:
bonds (distance) C4'-P energy: -26.678
bonds (distance) P-C4' energy: -27.722
flat angles C4'-P-C4' energy: -26.719
flat angles P-C4'-P energy: -22.667
tors. eta vs tors. theta energy: -43.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -505.640286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.640286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.640286 (E_RNA)
where:
Base-Base interactions energy: -361.363
where: short stacking energy: -146.405
Base-Backbone interact. energy: -0.460
local terms energy: -143.816787
where:
bonds (distance) C4'-P energy: -26.035
bonds (distance) P-C4' energy: -27.698
flat angles C4'-P-C4' energy: -27.486
flat angles P-C4'-P energy: -18.729
tors. eta vs tors. theta energy: -43.869
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: 3
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -452.931668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.931668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.931668 (E_RNA)
where:
Base-Base interactions energy: -312.564
where: short stacking energy: -123.383
Base-Backbone interact. energy: -1.582
local terms energy: -138.785651
where:
bonds (distance) C4'-P energy: -24.166
bonds (distance) P-C4' energy: -22.096
flat angles C4'-P-C4' energy: -32.129
flat angles P-C4'-P energy: -24.653
tors. eta vs tors. theta energy: -35.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -408.084898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.084898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.084898 (E_RNA)
where:
Base-Base interactions energy: -283.224
where: short stacking energy: -113.048
Base-Backbone interact. energy: -0.091
local terms energy: -124.769638
where:
bonds (distance) C4'-P energy: -24.790
bonds (distance) P-C4' energy: -24.511
flat angles C4'-P-C4' energy: -24.707
flat angles P-C4'-P energy: -18.802
tors. eta vs tors. theta energy: -31.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -398.326764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.326764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.326764 (E_RNA)
where:
Base-Base interactions energy: -272.488
where: short stacking energy: -120.948
Base-Backbone interact. energy: 0.683
local terms energy: -126.521606
where:
bonds (distance) C4'-P energy: -27.431
bonds (distance) P-C4' energy: -27.698
flat angles C4'-P-C4' energy: -24.256
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -34.499
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: 4
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -348.686193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.686193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.686193 (E_RNA)
where:
Base-Base interactions energy: -233.120
where: short stacking energy: -92.824
Base-Backbone interact. energy: -0.061
local terms energy: -115.505350
where:
bonds (distance) C4'-P energy: -26.589
bonds (distance) P-C4' energy: -22.442
flat angles C4'-P-C4' energy: -28.395
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -24.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -342.755271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.755271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.755271 (E_RNA)
where:
Base-Base interactions energy: -230.344
where: short stacking energy: -94.013
Base-Backbone interact. energy: -0.014
local terms energy: -112.397266
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -27.987
flat angles C4'-P-C4' energy: -27.969
flat angles P-C4'-P energy: -19.251
tors. eta vs tors. theta energy: -23.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -148.056804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.056804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.056804 (E_RNA)
where:
Base-Base interactions energy: -62.813
where: short stacking energy: -49.060
Base-Backbone interact. energy: 0.314
local terms energy: -85.557760
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -21.807
flat angles C4'-P-C4' energy: -22.031
flat angles P-C4'-P energy: -16.416
tors. eta vs tors. theta energy: -5.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -535.122159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.122159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.122159 (E_RNA)
where:
Base-Base interactions energy: -377.012
where: short stacking energy: -164.425
Base-Backbone interact. energy: -0.386
local terms energy: -157.724179
where:
bonds (distance) C4'-P energy: -32.229
bonds (distance) P-C4' energy: -24.890
flat angles C4'-P-C4' energy: -32.711
flat angles P-C4'-P energy: -19.759
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: 2, replica: 8
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -534.378540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.378540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.378540 (E_RNA)
where:
Base-Base interactions energy: -387.463
where: short stacking energy: -158.248
Base-Backbone interact. energy: -0.048
local terms energy: -146.867334
where:
bonds (distance) C4'-P energy: -25.327
bonds (distance) P-C4' energy: -24.097
flat angles C4'-P-C4' energy: -29.417
flat angles P-C4'-P energy: -21.726
tors. eta vs tors. theta energy: -46.300
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: 6
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -526.296520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.296520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.296520 (E_RNA)
where:
Base-Base interactions energy: -370.587
where: short stacking energy: -154.006
Base-Backbone interact. energy: -0.592
local terms energy: -155.116646
where:
bonds (distance) C4'-P energy: -23.262
bonds (distance) P-C4' energy: -31.151
flat angles C4'-P-C4' energy: -31.006
flat angles P-C4'-P energy: -20.739
tors. eta vs tors. theta energy: -48.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -501.743519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.743519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.743519 (E_RNA)
where:
Base-Base interactions energy: -357.612
where: short stacking energy: -150.650
Base-Backbone interact. energy: -0.047
local terms energy: -144.084798
where:
bonds (distance) C4'-P energy: -24.268
bonds (distance) P-C4' energy: -28.814
flat angles C4'-P-C4' energy: -28.147
flat angles P-C4'-P energy: -20.678
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: 5, replica: 3
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -441.416144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.416144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.416144 (E_RNA)
where:
Base-Base interactions energy: -307.882
where: short stacking energy: -134.661
Base-Backbone interact. energy: -0.245
local terms energy: -133.289032
where:
bonds (distance) C4'-P energy: -28.341
bonds (distance) P-C4' energy: -20.041
flat angles C4'-P-C4' energy: -30.394
flat angles P-C4'-P energy: -18.939
tors. eta vs tors. theta energy: -35.573
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: 1
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -399.983459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.983459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.983459 (E_RNA)
where:
Base-Base interactions energy: -272.822
where: short stacking energy: -117.324
Base-Backbone interact. energy: -0.298
local terms energy: -126.863472
where:
bonds (distance) C4'-P energy: -22.852
bonds (distance) P-C4' energy: -28.269
flat angles C4'-P-C4' energy: -27.610
flat angles P-C4'-P energy: -19.379
tors. eta vs tors. theta energy: -28.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -405.234771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.234771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.234771 (E_RNA)
where:
Base-Base interactions energy: -271.345
where: short stacking energy: -114.293
Base-Backbone interact. energy: -0.504
local terms energy: -133.385869
where:
bonds (distance) C4'-P energy: -22.998
bonds (distance) P-C4' energy: -30.493
flat angles C4'-P-C4' energy: -27.702
flat angles P-C4'-P energy: -19.093
tors. eta vs tors. theta energy: -33.099
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: 288
Temperature: 1.250000
Total energy: -381.356165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.356165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.356165 (E_RNA)
where:
Base-Base interactions energy: -262.345
where: short stacking energy: -116.550
Base-Backbone interact. energy: -0.023
local terms energy: -118.987831
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -27.370
flat angles C4'-P-C4' energy: -30.731
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -27.328
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: 10
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -330.811868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.811868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.811868 (E_RNA)
where:
Base-Base interactions energy: -222.489
where: short stacking energy: -93.504
Base-Backbone interact. energy: -0.828
local terms energy: -107.494572
where:
bonds (distance) C4'-P energy: -25.854
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -26.032
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -22.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -132.568789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.568789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.568789 (E_RNA)
where:
Base-Base interactions energy: -54.853
where: short stacking energy: -41.435
Base-Backbone interact. energy: -0.365
local terms energy: -77.351225
where:
bonds (distance) C4'-P energy: -22.095
bonds (distance) P-C4' energy: -23.162
flat angles C4'-P-C4' energy: -21.953
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: 0.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -524.710606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.710606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.710606 (E_RNA)
where:
Base-Base interactions energy: -370.713
where: short stacking energy: -156.962
Base-Backbone interact. energy: -0.392
local terms energy: -153.605098
where:
bonds (distance) C4'-P energy: -27.967
bonds (distance) P-C4' energy: -30.171
flat angles C4'-P-C4' energy: -31.230
flat angles P-C4'-P energy: -20.861
tors. eta vs tors. theta energy: -43.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -527.827919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.827919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.827919 (E_RNA)
where:
Base-Base interactions energy: -367.408
where: short stacking energy: -151.861
Base-Backbone interact. energy: -0.635
local terms energy: -159.785085
where:
bonds (distance) C4'-P energy: -29.780
bonds (distance) P-C4' energy: -28.863
flat angles C4'-P-C4' energy: -30.371
flat angles P-C4'-P energy: -22.661
tors. eta vs tors. theta energy: -48.109
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: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -519.661801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.661801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.661801 (E_RNA)
where:
Base-Base interactions energy: -372.298
where: short stacking energy: -150.373
Base-Backbone interact. energy: -0.262
local terms energy: -147.102610
where:
bonds (distance) C4'-P energy: -21.757
bonds (distance) P-C4' energy: -29.368
flat angles C4'-P-C4' energy: -30.242
flat angles P-C4'-P energy: -21.827
tors. eta vs tors. theta energy: -43.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -458.943406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.943406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.943406 (E_RNA)
where:
Base-Base interactions energy: -323.576
where: short stacking energy: -133.915
Base-Backbone interact. energy: -0.179
local terms energy: -135.188875
where:
bonds (distance) C4'-P energy: -26.787
bonds (distance) P-C4' energy: -23.929
flat angles C4'-P-C4' energy: -29.566
flat angles P-C4'-P energy: -17.306
tors. eta vs tors. theta energy: -37.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -499.984393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.984393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.984393 (E_RNA)
where:
Base-Base interactions energy: -367.685
where: short stacking energy: -145.474
Base-Backbone interact. energy: -0.124
local terms energy: -132.175108
where:
bonds (distance) C4'-P energy: -22.306
bonds (distance) P-C4' energy: -24.264
flat angles C4'-P-C4' energy: -28.812
flat angles P-C4'-P energy: -15.650
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: 2
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -430.882473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.882473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.882473 (E_RNA)
where:
Base-Base interactions energy: -295.245
where: short stacking energy: -136.014
Base-Backbone interact. energy: -0.368
local terms energy: -135.269518
where:
bonds (distance) C4'-P energy: -20.982
bonds (distance) P-C4' energy: -28.138
flat angles C4'-P-C4' energy: -26.066
flat angles P-C4'-P energy: -20.844
tors. eta vs tors. theta energy: -39.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -369.599719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.599719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.599719 (E_RNA)
where:
Base-Base interactions energy: -252.952
where: short stacking energy: -99.875
Base-Backbone interact. energy: -0.438
local terms energy: -116.210242
where:
bonds (distance) C4'-P energy: -18.626
bonds (distance) P-C4' energy: -30.523
flat angles C4'-P-C4' energy: -24.417
flat angles P-C4'-P energy: -16.872
tors. eta vs tors. theta energy: -25.772
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: 4
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -395.196311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.196311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.196311 (E_RNA)
where:
Base-Base interactions energy: -263.987
where: short stacking energy: -118.728
Base-Backbone interact. energy: -0.617
local terms energy: -130.592245
where:
bonds (distance) C4'-P energy: -22.925
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -30.840
flat angles P-C4'-P energy: -19.418
tors. eta vs tors. theta energy: -36.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -316.608403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.608403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.608403 (E_RNA)
where:
Base-Base interactions energy: -206.724
where: short stacking energy: -78.686
Base-Backbone interact. energy: -1.451
local terms energy: -108.433840
where:
bonds (distance) C4'-P energy: -20.869
bonds (distance) P-C4' energy: -26.265
flat angles C4'-P-C4' energy: -27.572
flat angles P-C4'-P energy: -16.976
tors. eta vs tors. theta energy: -16.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -135.690167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.690167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.690167 (E_RNA)
where:
Base-Base interactions energy: -52.570
where: short stacking energy: -44.489
Base-Backbone interact. energy: -0.527
local terms energy: -82.593673
where:
bonds (distance) C4'-P energy: -22.092
bonds (distance) P-C4' energy: -23.798
flat angles C4'-P-C4' energy: -20.374
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -3.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -527.686432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.686432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.686432 (E_RNA)
where:
Base-Base interactions energy: -376.178
where: short stacking energy: -157.406
Base-Backbone interact. energy: -0.033
local terms energy: -151.476264
where:
bonds (distance) C4'-P energy: -29.212
bonds (distance) P-C4' energy: -28.335
flat angles C4'-P-C4' energy: -26.846
flat angles P-C4'-P energy: -18.571
tors. eta vs tors. theta energy: -48.513
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: 6
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -520.113282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.113282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.113282 (E_RNA)
where:
Base-Base interactions energy: -370.717
where: short stacking energy: -153.045
Base-Backbone interact. energy: -0.938
local terms energy: -148.459054
where:
bonds (distance) C4'-P energy: -24.562
bonds (distance) P-C4' energy: -22.812
flat angles C4'-P-C4' energy: -31.220
flat angles P-C4'-P energy: -23.168
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: 3, replica: 8
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -529.217090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.217090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.217090 (E_RNA)
where:
Base-Base interactions energy: -368.627
where: short stacking energy: -160.317
Base-Backbone interact. energy: -0.790
local terms energy: -159.799622
where:
bonds (distance) C4'-P energy: -26.819
bonds (distance) P-C4' energy: -31.379
flat angles C4'-P-C4' energy: -32.921
flat angles P-C4'-P energy: -22.877
tors. eta vs tors. theta energy: -45.804
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: 4, replica: 3
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -466.027084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.027084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.027084 (E_RNA)
where:
Base-Base interactions energy: -319.848
where: short stacking energy: -135.670
Base-Backbone interact. energy: -0.621
local terms energy: -145.558247
where:
bonds (distance) C4'-P energy: -30.254
bonds (distance) P-C4' energy: -24.292
flat angles C4'-P-C4' energy: -31.226
flat angles P-C4'-P energy: -21.077
tors. eta vs tors. theta energy: -38.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -492.618051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.618051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.618051 (E_RNA)
where:
Base-Base interactions energy: -348.451
where: short stacking energy: -128.686
Base-Backbone interact. energy: -0.143
local terms energy: -144.024144
where:
bonds (distance) C4'-P energy: -25.378
bonds (distance) P-C4' energy: -25.972
flat angles C4'-P-C4' energy: -31.285
flat angles P-C4'-P energy: -20.070
tors. eta vs tors. theta energy: -41.319
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: 2
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -441.936721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.936721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.936721 (E_RNA)
where:
Base-Base interactions energy: -295.082
where: short stacking energy: -136.242
Base-Backbone interact. energy: -0.094
local terms energy: -146.760572
where:
bonds (distance) C4'-P energy: -27.406
bonds (distance) P-C4' energy: -28.921
flat angles C4'-P-C4' energy: -24.680
flat angles P-C4'-P energy: -22.291
tors. eta vs tors. theta energy: -43.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -419.201004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.201004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.201004 (E_RNA)
where:
Base-Base interactions energy: -282.192
where: short stacking energy: -129.805
Base-Backbone interact. energy: 0.651
local terms energy: -137.660076
where:
bonds (distance) C4'-P energy: -24.843
bonds (distance) P-C4' energy: -27.581
flat angles C4'-P-C4' energy: -29.287
flat angles P-C4'-P energy: -20.614
tors. eta vs tors. theta energy: -35.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -385.756582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.756582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.756582 (E_RNA)
where:
Base-Base interactions energy: -268.684
where: short stacking energy: -129.919
Base-Backbone interact. energy: -0.005
local terms energy: -117.067878
where:
bonds (distance) C4'-P energy: -25.216
bonds (distance) P-C4' energy: -25.023
flat angles C4'-P-C4' energy: -18.355
flat angles P-C4'-P energy: -15.374
tors. eta vs tors. theta energy: -33.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -320.957112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.957112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.957112 (E_RNA)
where:
Base-Base interactions energy: -214.102
where: short stacking energy: -82.822
Base-Backbone interact. energy: -0.770
local terms energy: -106.085517
where:
bonds (distance) C4'-P energy: -25.397
bonds (distance) P-C4' energy: -25.409
flat angles C4'-P-C4' energy: -27.804
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: -13.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -126.384022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.384022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.384022 (E_RNA)
where:
Base-Base interactions energy: -38.829
where: short stacking energy: -36.143
Base-Backbone interact. energy: -0.726
local terms energy: -86.828760
where:
bonds (distance) C4'-P energy: -30.909
bonds (distance) P-C4' energy: -27.960
flat angles C4'-P-C4' energy: -22.040
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: 4.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -530.245908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.245908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.245908 (E_RNA)
where:
Base-Base interactions energy: -375.905
where: short stacking energy: -157.086
Base-Backbone interact. energy: -0.007
local terms energy: -154.333495
where:
bonds (distance) C4'-P energy: -33.029
bonds (distance) P-C4' energy: -26.994
flat angles C4'-P-C4' energy: -28.286
flat angles P-C4'-P energy: -20.914
tors. eta vs tors. theta energy: -45.110
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: 6
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -524.379465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.379465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.379465 (E_RNA)
where:
Base-Base interactions energy: -373.171
where: short stacking energy: -158.761
Base-Backbone interact. energy: -0.137
local terms energy: -151.071328
where:
bonds (distance) C4'-P energy: -29.548
bonds (distance) P-C4' energy: -24.125
flat angles C4'-P-C4' energy: -30.729
flat angles P-C4'-P energy: -17.680
tors. eta vs tors. theta energy: -48.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -527.179118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.179118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.179118 (E_RNA)
where:
Base-Base interactions energy: -367.627
where: short stacking energy: -155.638
Base-Backbone interact. energy: -0.003
local terms energy: -159.548676
where:
bonds (distance) C4'-P energy: -26.418
bonds (distance) P-C4' energy: -31.936
flat angles C4'-P-C4' energy: -33.035
flat angles P-C4'-P energy: -21.789
tors. eta vs tors. theta energy: -46.370
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: 7
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -499.454428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.454428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.454428 (E_RNA)
where:
Base-Base interactions energy: -362.585
where: short stacking energy: -149.739
Base-Backbone interact. energy: -0.495
local terms energy: -136.374484
where:
bonds (distance) C4'-P energy: -23.745
bonds (distance) P-C4' energy: -22.548
flat angles C4'-P-C4' energy: -27.490
flat angles P-C4'-P energy: -20.638
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: 3
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -453.323523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.323523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.323523 (E_RNA)
where:
Base-Base interactions energy: -305.994
where: short stacking energy: -127.578
Base-Backbone interact. energy: -0.088
local terms energy: -147.241241
where:
bonds (distance) C4'-P energy: -29.346
bonds (distance) P-C4' energy: -20.253
flat angles C4'-P-C4' energy: -32.479
flat angles P-C4'-P energy: -22.907
tors. eta vs tors. theta energy: -42.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -445.392184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.392184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.392184 (E_RNA)
where:
Base-Base interactions energy: -299.912
where: short stacking energy: -135.230
Base-Backbone interact. energy: -0.623
local terms energy: -144.857039
where:
bonds (distance) C4'-P energy: -18.375
bonds (distance) P-C4' energy: -30.923
flat angles C4'-P-C4' energy: -32.170
flat angles P-C4'-P energy: -22.470
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: 7, replica: 4
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -398.119680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.119680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.119680 (E_RNA)
where:
Base-Base interactions energy: -273.239
where: short stacking energy: -120.473
Base-Backbone interact. energy: -0.885
local terms energy: -123.996293
where:
bonds (distance) C4'-P energy: -21.998
bonds (distance) P-C4' energy: -30.713
flat angles C4'-P-C4' energy: -23.821
flat angles P-C4'-P energy: -17.056
tors. eta vs tors. theta energy: -30.408
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: 10
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -310.320637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.320637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.320637 (E_RNA)
where:
Base-Base interactions energy: -203.951
where: short stacking energy: -89.539
Base-Backbone interact. energy: -0.795
local terms energy: -105.574783
where:
bonds (distance) C4'-P energy: -20.112
bonds (distance) P-C4' energy: -24.864
flat angles C4'-P-C4' energy: -23.699
flat angles P-C4'-P energy: -19.270
tors. eta vs tors. theta energy: -17.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -331.183971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.183971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.183971 (E_RNA)
where:
Base-Base interactions energy: -214.446
where: short stacking energy: -92.011
Base-Backbone interact. energy: 1.934
local terms energy: -118.671308
where:
bonds (distance) C4'-P energy: -28.163
bonds (distance) P-C4' energy: -31.276
flat angles C4'-P-C4' energy: -26.359
flat angles P-C4'-P energy: -14.255
tors. eta vs tors. theta energy: -18.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -130.487034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.487034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.487034 (E_RNA)
where:
Base-Base interactions energy: -68.312
where: short stacking energy: -59.570
Base-Backbone interact. energy: -0.879
local terms energy: -61.295908
where:
bonds (distance) C4'-P energy: -21.089
bonds (distance) P-C4' energy: -7.942
flat angles C4'-P-C4' energy: -25.622
flat angles P-C4'-P energy: -6.539
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: 9
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -534.136024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.136024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.136024 (E_RNA)
where:
Base-Base interactions energy: -363.850
where: short stacking energy: -154.761
Base-Backbone interact. energy: -0.357
local terms energy: -169.929542
where:
bonds (distance) C4'-P energy: -31.030
bonds (distance) P-C4' energy: -33.317
flat angles C4'-P-C4' energy: -32.386
flat angles P-C4'-P energy: -24.774
tors. eta vs tors. theta energy: -48.423
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: 6
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -537.928983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.928983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.928983 (E_RNA)
where:
Base-Base interactions energy: -379.973
where: short stacking energy: -159.043
Base-Backbone interact. energy: -0.012
local terms energy: -157.944017
where:
bonds (distance) C4'-P energy: -24.710
bonds (distance) P-C4' energy: -27.312
flat angles C4'-P-C4' energy: -30.677
flat angles P-C4'-P energy: -25.739
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: 3, replica: 7
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -496.476752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.476752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.476752 (E_RNA)
where:
Base-Base interactions energy: -358.978
where: short stacking energy: -136.283
Base-Backbone interact. energy: -0.108
local terms energy: -137.390789
where:
bonds (distance) C4'-P energy: -25.570
bonds (distance) P-C4' energy: -27.018
flat angles C4'-P-C4' energy: -27.873
flat angles P-C4'-P energy: -18.305
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: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -516.352242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.352242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.352242 (E_RNA)
where:
Base-Base interactions energy: -367.386
where: short stacking energy: -158.401
Base-Backbone interact. energy: -0.798
local terms energy: -148.168633
where:
bonds (distance) C4'-P energy: -22.377
bonds (distance) P-C4' energy: -30.589
flat angles C4'-P-C4' energy: -32.937
flat angles P-C4'-P energy: -17.838
tors. eta vs tors. theta energy: -44.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -456.733273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.733273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.733273 (E_RNA)
where:
Base-Base interactions energy: -303.302
where: short stacking energy: -133.381
Base-Backbone interact. energy: -0.345
local terms energy: -153.086046
where:
bonds (distance) C4'-P energy: -31.435
bonds (distance) P-C4' energy: -28.756
flat angles C4'-P-C4' energy: -29.224
flat angles P-C4'-P energy: -24.171
tors. eta vs tors. theta energy: -39.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -426.168225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.168225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.168225 (E_RNA)
where:
Base-Base interactions energy: -294.172
where: short stacking energy: -125.433
Base-Backbone interact. energy: 0.539
local terms energy: -132.535444
where:
bonds (distance) C4'-P energy: -26.177
bonds (distance) P-C4' energy: -27.078
flat angles C4'-P-C4' energy: -24.661
flat angles P-C4'-P energy: -20.483
tors. eta vs tors. theta energy: -34.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -407.326921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.326921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.326921 (E_RNA)
where:
Base-Base interactions energy: -278.698
where: short stacking energy: -112.593
Base-Backbone interact. energy: -0.681
local terms energy: -127.948214
where:
bonds (distance) C4'-P energy: -25.308
bonds (distance) P-C4' energy: -28.506
flat angles C4'-P-C4' energy: -22.935
flat angles P-C4'-P energy: -19.633
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: 8, replica: 10
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -323.543448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.543448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.543448 (E_RNA)
where:
Base-Base interactions energy: -216.413
where: short stacking energy: -91.520
Base-Backbone interact. energy: 1.548
local terms energy: -108.678250
where:
bonds (distance) C4'-P energy: -30.094
bonds (distance) P-C4' energy: -20.854
flat angles C4'-P-C4' energy: -21.627
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -23.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -328.587344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.587344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.587344 (E_RNA)
where:
Base-Base interactions energy: -216.494
where: short stacking energy: -87.845
Base-Backbone interact. energy: -0.325
local terms energy: -111.768447
where:
bonds (distance) C4'-P energy: -26.803
bonds (distance) P-C4' energy: -28.934
flat angles C4'-P-C4' energy: -22.583
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -25.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -125.758160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.758160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.758160 (E_RNA)
where:
Base-Base interactions energy: -45.997
where: short stacking energy: -34.989
Base-Backbone interact. energy: -0.677
local terms energy: -79.084374
where:
bonds (distance) C4'-P energy: -19.142
bonds (distance) P-C4' energy: -25.378
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -17.368
tors. eta vs tors. theta energy: 1.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -541.117857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.117857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.117857 (E_RNA)
where:
Base-Base interactions energy: -375.527
where: short stacking energy: -158.443
Base-Backbone interact. energy: -0.320
local terms energy: -165.271716
where:
bonds (distance) C4'-P energy: -31.794
bonds (distance) P-C4' energy: -31.803
flat angles C4'-P-C4' energy: -31.548
flat angles P-C4'-P energy: -22.236
tors. eta vs tors. theta energy: -47.891
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: 6
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -526.362030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.362030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.362030 (E_RNA)
where:
Base-Base interactions energy: -370.948
where: short stacking energy: -173.033
Base-Backbone interact. energy: 0.367
local terms energy: -155.781250
where:
bonds (distance) C4'-P energy: -21.816
bonds (distance) P-C4' energy: -23.671
flat angles C4'-P-C4' energy: -35.267
flat angles P-C4'-P energy: -24.810
tors. eta vs tors. theta energy: -50.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -511.566366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.566366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.566366 (E_RNA)
where:
Base-Base interactions energy: -366.274
where: short stacking energy: -149.811
Base-Backbone interact. energy: -0.094
local terms energy: -145.198304
where:
bonds (distance) C4'-P energy: -28.945
bonds (distance) P-C4' energy: -25.240
flat angles C4'-P-C4' energy: -30.999
flat angles P-C4'-P energy: -15.730
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: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -519.035525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.035525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.035525 (E_RNA)
where:
Base-Base interactions energy: -363.153
where: short stacking energy: -151.040
Base-Backbone interact. energy: -0.428
local terms energy: -155.454222
where:
bonds (distance) C4'-P energy: -27.708
bonds (distance) P-C4' energy: -30.772
flat angles C4'-P-C4' energy: -29.532
flat angles P-C4'-P energy: -19.953
tors. eta vs tors. theta energy: -47.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -451.847856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.847856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.847856 (E_RNA)
where:
Base-Base interactions energy: -303.156
where: short stacking energy: -143.410
Base-Backbone interact. energy: -0.244
local terms energy: -148.447803
where:
bonds (distance) C4'-P energy: -29.412
bonds (distance) P-C4' energy: -25.063
flat angles C4'-P-C4' energy: -31.128
flat angles P-C4'-P energy: -21.779
tors. eta vs tors. theta energy: -41.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -447.224361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.224361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.224361 (E_RNA)
where:
Base-Base interactions energy: -315.436
where: short stacking energy: -127.555
Base-Backbone interact. energy: -0.758
local terms energy: -131.030670
where:
bonds (distance) C4'-P energy: -19.907
bonds (distance) P-C4' energy: -21.502
flat angles C4'-P-C4' energy: -28.563
flat angles P-C4'-P energy: -18.881
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: 7, replica: 4
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -431.830494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.830494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.830494 (E_RNA)
where:
Base-Base interactions energy: -300.814
where: short stacking energy: -123.326
Base-Backbone interact. energy: -2.514
local terms energy: -128.502419
where:
bonds (distance) C4'-P energy: -31.185
bonds (distance) P-C4' energy: -24.257
flat angles C4'-P-C4' energy: -25.778
flat angles P-C4'-P energy: -15.952
tors. eta vs tors. theta energy: -31.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -320.461171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.461171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.461171 (E_RNA)
where:
Base-Base interactions energy: -208.582
where: short stacking energy: -95.469
Base-Backbone interact. energy: 1.368
local terms energy: -113.247834
where:
bonds (distance) C4'-P energy: -21.751
bonds (distance) P-C4' energy: -29.863
flat angles C4'-P-C4' energy: -24.547
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -26.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -308.937503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.937503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.937503 (E_RNA)
where:
Base-Base interactions energy: -201.411
where: short stacking energy: -91.284
Base-Backbone interact. energy: 0.480
local terms energy: -108.006303
where:
bonds (distance) C4'-P energy: -26.611
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -25.316
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -26.592
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: 5
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -134.427339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.427339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.427339 (E_RNA)
where:
Base-Base interactions energy: -42.037
where: short stacking energy: -42.037
Base-Backbone interact. energy: -0.254
local terms energy: -92.135563
where:
bonds (distance) C4'-P energy: -25.344
bonds (distance) P-C4' energy: -32.400
flat angles C4'-P-C4' energy: -25.535
flat angles P-C4'-P energy: -6.902
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: 294
Temperature: 0.900000
Total energy: -543.294448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.294448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.294448 (E_RNA)
where:
Base-Base interactions energy: -381.656
where: short stacking energy: -165.183
Base-Backbone interact. energy: -0.937
local terms energy: -160.701689
where:
bonds (distance) C4'-P energy: -27.980
bonds (distance) P-C4' energy: -25.787
flat angles C4'-P-C4' energy: -32.125
flat angles P-C4'-P energy: -26.412
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: 2, replica: 6
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -525.924337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.924337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.924337 (E_RNA)
where:
Base-Base interactions energy: -368.031
where: short stacking energy: -151.388
Base-Backbone interact. energy: 0.234
local terms energy: -158.127698
where:
bonds (distance) C4'-P energy: -23.135
bonds (distance) P-C4' energy: -29.221
flat angles C4'-P-C4' energy: -30.920
flat angles P-C4'-P energy: -28.264
tors. eta vs tors. theta energy: -46.587
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: 3, replica: 8
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -516.535644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.535644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.535644 (E_RNA)
where:
Base-Base interactions energy: -364.050
where: short stacking energy: -154.611
Base-Backbone interact. energy: -0.046
local terms energy: -152.438910
where:
bonds (distance) C4'-P energy: -26.235
bonds (distance) P-C4' energy: -28.396
flat angles C4'-P-C4' energy: -27.108
flat angles P-C4'-P energy: -22.030
tors. eta vs tors. theta energy: -48.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -504.754977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.754977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.754977 (E_RNA)
where:
Base-Base interactions energy: -362.586
where: short stacking energy: -144.789
Base-Backbone interact. energy: -0.055
local terms energy: -142.114112
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -22.047
flat angles C4'-P-C4' energy: -34.067
flat angles P-C4'-P energy: -22.640
tors. eta vs tors. theta energy: -44.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -451.456437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.456437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.456437 (E_RNA)
where:
Base-Base interactions energy: -330.826
where: short stacking energy: -130.180
Base-Backbone interact. energy: -0.288
local terms energy: -120.342605
where:
bonds (distance) C4'-P energy: -20.902
bonds (distance) P-C4' energy: -23.412
flat angles C4'-P-C4' energy: -26.799
flat angles P-C4'-P energy: -16.576
tors. eta vs tors. theta energy: -32.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -428.614302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.614302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.614302 (E_RNA)
where:
Base-Base interactions energy: -298.828
where: short stacking energy: -141.187
Base-Backbone interact. energy: -0.013
local terms energy: -129.773499
where:
bonds (distance) C4'-P energy: -20.998
bonds (distance) P-C4' energy: -26.086
flat angles C4'-P-C4' energy: -25.002
flat angles P-C4'-P energy: -15.147
tors. eta vs tors. theta energy: -42.541
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: 7, replica: 4
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -433.812224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.812224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.812224 (E_RNA)
where:
Base-Base interactions energy: -299.372
where: short stacking energy: -129.811
Base-Backbone interact. energy: 1.867
local terms energy: -136.307118
where:
bonds (distance) C4'-P energy: -30.398
bonds (distance) P-C4' energy: -24.584
flat angles C4'-P-C4' energy: -29.381
flat angles P-C4'-P energy: -17.575
tors. eta vs tors. theta energy: -34.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -294.640498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.640498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.640498 (E_RNA)
where:
Base-Base interactions energy: -187.677
where: short stacking energy: -73.273
Base-Backbone interact. energy: -0.251
local terms energy: -106.712472
where:
bonds (distance) C4'-P energy: -28.725
bonds (distance) P-C4' energy: -25.575
flat angles C4'-P-C4' energy: -21.288
flat angles P-C4'-P energy: -14.472
tors. eta vs tors. theta energy: -16.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -323.555053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.555053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.555053 (E_RNA)
where:
Base-Base interactions energy: -207.690
where: short stacking energy: -86.938
Base-Backbone interact. energy: -1.645
local terms energy: -114.219490
where:
bonds (distance) C4'-P energy: -24.524
bonds (distance) P-C4' energy: -25.803
flat angles C4'-P-C4' energy: -28.775
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -21.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -138.864004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.864004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.864004 (E_RNA)
where:
Base-Base interactions energy: -58.706
where: short stacking energy: -38.331
Base-Backbone interact. energy: -0.489
local terms energy: -79.668453
where:
bonds (distance) C4'-P energy: -30.178
bonds (distance) P-C4' energy: -21.608
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -14.764
tors. eta vs tors. theta energy: 2.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -539.207282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.207282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.207282 (E_RNA)
where:
Base-Base interactions energy: -370.133
where: short stacking energy: -163.041
Base-Backbone interact. energy: -0.035
local terms energy: -169.039362
where:
bonds (distance) C4'-P energy: -30.359
bonds (distance) P-C4' energy: -30.104
flat angles C4'-P-C4' energy: -34.806
flat angles P-C4'-P energy: -22.989
tors. eta vs tors. theta energy: -50.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -530.973059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.973059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.973059 (E_RNA)
where:
Base-Base interactions energy: -368.056
where: short stacking energy: -163.699
Base-Backbone interact. energy: -0.612
local terms energy: -162.304934
where:
bonds (distance) C4'-P energy: -30.800
bonds (distance) P-C4' energy: -31.319
flat angles C4'-P-C4' energy: -31.674
flat angles P-C4'-P energy: -21.204
tors. eta vs tors. theta energy: -47.308
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: 6
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -517.651615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.651615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.651615 (E_RNA)
where:
Base-Base interactions energy: -363.887
where: short stacking energy: -149.375
Base-Backbone interact. energy: -0.134
local terms energy: -153.630227
where:
bonds (distance) C4'-P energy: -27.911
bonds (distance) P-C4' energy: -28.542
flat angles C4'-P-C4' energy: -30.232
flat angles P-C4'-P energy: -22.088
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: 7
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -498.520376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.520376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.520376 (E_RNA)
where:
Base-Base interactions energy: -348.666
where: short stacking energy: -132.395
Base-Backbone interact. energy: -0.556
local terms energy: -149.298375
where:
bonds (distance) C4'-P energy: -27.815
bonds (distance) P-C4' energy: -31.717
flat angles C4'-P-C4' energy: -29.928
flat angles P-C4'-P energy: -21.206
tors. eta vs tors. theta energy: -38.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -432.203146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.203146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.203146 (E_RNA)
where:
Base-Base interactions energy: -303.313
where: short stacking energy: -123.715
Base-Backbone interact. energy: -0.334
local terms energy: -128.556508
where:
bonds (distance) C4'-P energy: -27.479
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -30.016
flat angles P-C4'-P energy: -19.824
tors. eta vs tors. theta energy: -33.937
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: 6, replica: 2
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -426.899939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.899939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.899939 (E_RNA)
where:
Base-Base interactions energy: -294.127
where: short stacking energy: -122.593
Base-Backbone interact. energy: -0.068
local terms energy: -132.704471
where:
bonds (distance) C4'-P energy: -23.722
bonds (distance) P-C4' energy: -24.524
flat angles C4'-P-C4' energy: -27.210
flat angles P-C4'-P energy: -18.781
tors. eta vs tors. theta energy: -38.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -444.070979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.070979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.070979 (E_RNA)
where:
Base-Base interactions energy: -303.362
where: short stacking energy: -134.514
Base-Backbone interact. energy: -0.009
local terms energy: -140.700850
where:
bonds (distance) C4'-P energy: -23.537
bonds (distance) P-C4' energy: -27.345
flat angles C4'-P-C4' energy: -25.896
flat angles P-C4'-P energy: -23.496
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: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -341.724359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.724359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.724359 (E_RNA)
where:
Base-Base interactions energy: -227.434
where: short stacking energy: -107.951
Base-Backbone interact. energy: -0.547
local terms energy: -113.743463
where:
bonds (distance) C4'-P energy: -20.896
bonds (distance) P-C4' energy: -29.346
flat angles C4'-P-C4' energy: -24.889
flat angles P-C4'-P energy: -14.285
tors. eta vs tors. theta energy: -24.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -324.982813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.982813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.982813 (E_RNA)
where:
Base-Base interactions energy: -214.326
where: short stacking energy: -90.003
Base-Backbone interact. energy: -0.462
local terms energy: -110.195102
where:
bonds (distance) C4'-P energy: -22.683
bonds (distance) P-C4' energy: -25.479
flat angles C4'-P-C4' energy: -24.951
flat angles P-C4'-P energy: -19.130
tors. eta vs tors. theta energy: -17.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -135.774469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.774469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.774469 (E_RNA)
where:
Base-Base interactions energy: -58.769
where: short stacking energy: -58.769
Base-Backbone interact. energy: -1.777
local terms energy: -75.228404
where:
bonds (distance) C4'-P energy: -24.471
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -18.534
flat angles P-C4'-P energy: -13.990
tors. eta vs tors. theta energy: 2.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -538.952403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.952403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.952403 (E_RNA)
where:
Base-Base interactions energy: -385.205
where: short stacking energy: -152.866
Base-Backbone interact. energy: -0.008
local terms energy: -153.739912
where:
bonds (distance) C4'-P energy: -28.083
bonds (distance) P-C4' energy: -26.181
flat angles C4'-P-C4' energy: -28.097
flat angles P-C4'-P energy: -25.174
tors. eta vs tors. theta energy: -46.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -530.255864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.255864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.255864 (E_RNA)
where:
Base-Base interactions energy: -382.100
where: short stacking energy: -162.452
Base-Backbone interact. energy: 0.156
local terms energy: -148.311669
where:
bonds (distance) C4'-P energy: -18.501
bonds (distance) P-C4' energy: -24.838
flat angles C4'-P-C4' energy: -36.268
flat angles P-C4'-P energy: -23.795
tors. eta vs tors. theta energy: -44.911
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: 7
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -511.140667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.140667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.140667 (E_RNA)
where:
Base-Base interactions energy: -373.568
where: short stacking energy: -142.491
Base-Backbone interact. energy: -0.506
local terms energy: -137.067603
where:
bonds (distance) C4'-P energy: -25.909
bonds (distance) P-C4' energy: -26.061
flat angles C4'-P-C4' energy: -29.879
flat angles P-C4'-P energy: -18.893
tors. eta vs tors. theta energy: -36.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -506.850248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.850248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.850248 (E_RNA)
where:
Base-Base interactions energy: -358.640
where: short stacking energy: -142.141
Base-Backbone interact. energy: -0.019
local terms energy: -148.191357
where:
bonds (distance) C4'-P energy: -27.145
bonds (distance) P-C4' energy: -28.756
flat angles C4'-P-C4' energy: -27.302
flat angles P-C4'-P energy: -26.747
tors. eta vs tors. theta energy: -38.241
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: 2
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -440.578836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.578836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.578836 (E_RNA)
where:
Base-Base interactions energy: -301.620
where: short stacking energy: -133.970
Base-Backbone interact. energy: -0.012
local terms energy: -138.946439
where:
bonds (distance) C4'-P energy: -22.930
bonds (distance) P-C4' energy: -25.781
flat angles C4'-P-C4' energy: -29.274
flat angles P-C4'-P energy: -22.160
tors. eta vs tors. theta energy: -38.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -426.864705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.864705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.864705 (E_RNA)
where:
Base-Base interactions energy: -315.155
where: short stacking energy: -132.936
Base-Backbone interact. energy: -0.783
local terms energy: -110.926225
where:
bonds (distance) C4'-P energy: -20.569
bonds (distance) P-C4' energy: -18.279
flat angles C4'-P-C4' energy: -22.643
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: -33.229
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: 4
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -424.694461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.694461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.694461 (E_RNA)
where:
Base-Base interactions energy: -296.746
where: short stacking energy: -119.248
Base-Backbone interact. energy: -0.129
local terms energy: -127.818829
where:
bonds (distance) C4'-P energy: -23.241
bonds (distance) P-C4' energy: -21.598
flat angles C4'-P-C4' energy: -29.198
flat angles P-C4'-P energy: -14.732
tors. eta vs tors. theta energy: -39.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -328.042887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.042887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.042887 (E_RNA)
where:
Base-Base interactions energy: -217.698
where: short stacking energy: -95.408
Base-Backbone interact. energy: -0.333
local terms energy: -110.011708
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -20.961
flat angles C4'-P-C4' energy: -30.109
flat angles P-C4'-P energy: -15.572
tors. eta vs tors. theta energy: -26.530
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: 10
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -320.877151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.877151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.877151 (E_RNA)
where:
Base-Base interactions energy: -213.702
where: short stacking energy: -97.988
Base-Backbone interact. energy: -0.569
local terms energy: -106.605968
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -21.610
flat angles C4'-P-C4' energy: -28.287
flat angles P-C4'-P energy: -16.149
tors. eta vs tors. theta energy: -20.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -139.099590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.099590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.099590 (E_RNA)
where:
Base-Base interactions energy: -57.461
where: short stacking energy: -55.357
Base-Backbone interact. energy: -1.744
local terms energy: -79.895011
where:
bonds (distance) C4'-P energy: -21.212
bonds (distance) P-C4' energy: -20.316
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -0.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -536.907626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.907626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.907626 (E_RNA)
where:
Base-Base interactions energy: -368.343
where: short stacking energy: -165.073
Base-Backbone interact. energy: -0.028
local terms energy: -168.535858
where:
bonds (distance) C4'-P energy: -28.428
bonds (distance) P-C4' energy: -31.608
flat angles C4'-P-C4' energy: -34.103
flat angles P-C4'-P energy: -24.171
tors. eta vs tors. theta energy: -50.226
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: 2, replica: 7
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -524.269043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.269043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.269043 (E_RNA)
where:
Base-Base interactions energy: -372.495
where: short stacking energy: -146.149
Base-Backbone interact. energy: -0.180
local terms energy: -151.593714
where:
bonds (distance) C4'-P energy: -27.169
bonds (distance) P-C4' energy: -28.116
flat angles C4'-P-C4' energy: -29.115
flat angles P-C4'-P energy: -23.110
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: 297
Temperature: 1.000000
Total energy: -513.894174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.894174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.894174 (E_RNA)
where:
Base-Base interactions energy: -360.893
where: short stacking energy: -149.636
Base-Backbone interact. energy: -0.152
local terms energy: -152.849292
where:
bonds (distance) C4'-P energy: -26.172
bonds (distance) P-C4' energy: -29.053
flat angles C4'-P-C4' energy: -30.514
flat angles P-C4'-P energy: -22.179
tors. eta vs tors. theta energy: -44.931
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: 6
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -504.899521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.899521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.899521 (E_RNA)
where:
Base-Base interactions energy: -360.456
where: short stacking energy: -146.605
Base-Backbone interact. energy: -0.004
local terms energy: -144.439464
where:
bonds (distance) C4'-P energy: -21.880
bonds (distance) P-C4' energy: -26.202
flat angles C4'-P-C4' energy: -27.851
flat angles P-C4'-P energy: -23.107
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: 5, replica: 2
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -436.436137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.436137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.436137 (E_RNA)
where:
Base-Base interactions energy: -298.827
where: short stacking energy: -143.971
Base-Backbone interact. energy: -0.497
local terms energy: -137.112077
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -23.656
flat angles C4'-P-C4' energy: -29.121
flat angles P-C4'-P energy: -23.129
tors. eta vs tors. theta energy: -41.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -455.731836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.731836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.731836 (E_RNA)
where:
Base-Base interactions energy: -323.345
where: short stacking energy: -138.273
Base-Backbone interact. energy: -0.012
local terms energy: -132.375385
where:
bonds (distance) C4'-P energy: -21.321
bonds (distance) P-C4' energy: -21.126
flat angles C4'-P-C4' energy: -28.520
flat angles P-C4'-P energy: -17.684
tors. eta vs tors. theta energy: -43.724
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: 7, replica: 3
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -417.470573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.470573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.470573 (E_RNA)
where:
Base-Base interactions energy: -286.835
where: short stacking energy: -122.145
Base-Backbone interact. energy: -0.547
local terms energy: -130.088388
where:
bonds (distance) C4'-P energy: -25.687
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -29.911
flat angles P-C4'-P energy: -19.485
tors. eta vs tors. theta energy: -32.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -341.700781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.700781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.700781 (E_RNA)
where:
Base-Base interactions energy: -225.648
where: short stacking energy: -107.493
Base-Backbone interact. energy: 0.010
local terms energy: -116.062031
where:
bonds (distance) C4'-P energy: -22.331
bonds (distance) P-C4' energy: -25.392
flat angles C4'-P-C4' energy: -24.008
flat angles P-C4'-P energy: -15.789
tors. eta vs tors. theta energy: -28.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -300.657380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.657380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.657380 (E_RNA)
where:
Base-Base interactions energy: -193.793
where: short stacking energy: -94.015
Base-Backbone interact. energy: -0.466
local terms energy: -106.398250
where:
bonds (distance) C4'-P energy: -20.163
bonds (distance) P-C4' energy: -19.536
flat angles C4'-P-C4' energy: -25.105
flat angles P-C4'-P energy: -18.167
tors. eta vs tors. theta energy: -23.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -148.983561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.983561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.983561 (E_RNA)
where:
Base-Base interactions energy: -58.958
where: short stacking energy: -44.178
Base-Backbone interact. energy: 0.335
local terms energy: -90.361021
where:
bonds (distance) C4'-P energy: -21.971
bonds (distance) P-C4' energy: -30.574
flat angles C4'-P-C4' energy: -21.650
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -4.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -534.541206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.541206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.541206 (E_RNA)
where:
Base-Base interactions energy: -384.201
where: short stacking energy: -161.674
Base-Backbone interact. energy: -1.041
local terms energy: -149.298847
where:
bonds (distance) C4'-P energy: -27.983
bonds (distance) P-C4' energy: -27.175
flat angles C4'-P-C4' energy: -29.450
flat angles P-C4'-P energy: -21.025
tors. eta vs tors. theta energy: -43.665
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: 2, replica: 7
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -533.736215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.736215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.736215 (E_RNA)
where:
Base-Base interactions energy: -370.159
where: short stacking energy: -151.224
Base-Backbone interact. energy: -0.011
local terms energy: -163.565767
where:
bonds (distance) C4'-P energy: -26.172
bonds (distance) P-C4' energy: -32.446
flat angles C4'-P-C4' energy: -33.293
flat angles P-C4'-P energy: -24.794
tors. eta vs tors. theta energy: -46.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -518.750392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.750392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.750392 (E_RNA)
where:
Base-Base interactions energy: -364.704
where: short stacking energy: -154.568
Base-Backbone interact. energy: -0.609
local terms energy: -153.437423
where:
bonds (distance) C4'-P energy: -27.228
bonds (distance) P-C4' energy: -25.741
flat angles C4'-P-C4' energy: -33.003
flat angles P-C4'-P energy: -21.614
tors. eta vs tors. theta energy: -45.852
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: 8
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -502.958155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.958155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.958155 (E_RNA)
where:
Base-Base interactions energy: -354.214
where: short stacking energy: -146.279
Base-Backbone interact. energy: -0.652
local terms energy: -148.092118
where:
bonds (distance) C4'-P energy: -23.179
bonds (distance) P-C4' energy: -28.396
flat angles C4'-P-C4' energy: -30.433
flat angles P-C4'-P energy: -20.772
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: 5, replica: 4
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -470.172618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.172618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.172618 (E_RNA)
where:
Base-Base interactions energy: -333.954
where: short stacking energy: -150.389
Base-Backbone interact. energy: -0.006
local terms energy: -136.212346
where:
bonds (distance) C4'-P energy: -22.021
bonds (distance) P-C4' energy: -28.441
flat angles C4'-P-C4' energy: -23.454
flat angles P-C4'-P energy: -20.380
tors. eta vs tors. theta energy: -41.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -436.364618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.364618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.364618 (E_RNA)
where:
Base-Base interactions energy: -312.195
where: short stacking energy: -136.147
Base-Backbone interact. energy: -0.264
local terms energy: -123.905870
where:
bonds (distance) C4'-P energy: -23.386
bonds (distance) P-C4' energy: -23.477
flat angles C4'-P-C4' energy: -22.602
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -44.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -356.461479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.461479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.461479 (E_RNA)
where:
Base-Base interactions energy: -243.848
where: short stacking energy: -102.114
Base-Backbone interact. energy: 0.445
local terms energy: -113.059132
where:
bonds (distance) C4'-P energy: -20.610
bonds (distance) P-C4' energy: -26.373
flat angles C4'-P-C4' energy: -21.337
flat angles P-C4'-P energy: -16.119
tors. eta vs tors. theta energy: -28.620
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: 3
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -397.971944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.971944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.971944 (E_RNA)
where:
Base-Base interactions energy: -281.283
where: short stacking energy: -114.180
Base-Backbone interact. energy: -0.706
local terms energy: -115.982717
where:
bonds (distance) C4'-P energy: -21.651
bonds (distance) P-C4' energy: -22.118
flat angles C4'-P-C4' energy: -29.449
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: -25.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -265.829981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.829981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.829981 (E_RNA)
where:
Base-Base interactions energy: -167.488
where: short stacking energy: -70.433
Base-Backbone interact. energy: -0.516
local terms energy: -97.826485
where:
bonds (distance) C4'-P energy: -23.269
bonds (distance) P-C4' energy: -28.566
flat angles C4'-P-C4' energy: -20.308
flat angles P-C4'-P energy: -17.307
tors. eta vs tors. theta energy: -8.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -132.341616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.341616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.341616 (E_RNA)
where:
Base-Base interactions energy: -55.733
where: short stacking energy: -55.733
Base-Backbone interact. energy: -0.204
local terms energy: -76.404100
where:
bonds (distance) C4'-P energy: -18.958
bonds (distance) P-C4' energy: -20.004
flat angles C4'-P-C4' energy: -24.426
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -4.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -541.206161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.206161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.206161 (E_RNA)
where:
Base-Base interactions energy: -378.570
where: short stacking energy: -159.922
Base-Backbone interact. energy: -0.027
local terms energy: -162.609082
where:
bonds (distance) C4'-P energy: -28.072
bonds (distance) P-C4' energy: -29.833
flat angles C4'-P-C4' energy: -32.204
flat angles P-C4'-P energy: -23.684
tors. eta vs tors. theta energy: -48.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -531.768799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.768799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.768799 (E_RNA)
where:
Base-Base interactions energy: -363.306
where: short stacking energy: -154.326
Base-Backbone interact. energy: -0.503
local terms energy: -167.958962
where:
bonds (distance) C4'-P energy: -26.358
bonds (distance) P-C4' energy: -30.367
flat angles C4'-P-C4' energy: -36.098
flat angles P-C4'-P energy: -26.955
tors. eta vs tors. theta energy: -48.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -528.709965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.709965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.709965 (E_RNA)
where:
Base-Base interactions energy: -377.558
where: short stacking energy: -165.605
Base-Backbone interact. energy: -0.056
local terms energy: -151.096155
where:
bonds (distance) C4'-P energy: -20.365
bonds (distance) P-C4' energy: -28.817
flat angles C4'-P-C4' energy: -32.454
flat angles P-C4'-P energy: -21.287
tors. eta vs tors. theta energy: -48.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -504.799367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.799367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.799367 (E_RNA)
where:
Base-Base interactions energy: -364.357
where: short stacking energy: -159.634
Base-Backbone interact. energy: -0.705
local terms energy: -139.737266
where:
bonds (distance) C4'-P energy: -27.298
bonds (distance) P-C4' energy: -20.243
flat angles C4'-P-C4' energy: -28.538
flat angles P-C4'-P energy: -18.799
tors. eta vs tors. theta energy: -44.860
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: 5, replica: 4
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -490.159032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.159032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.159032 (E_RNA)
where:
Base-Base interactions energy: -327.074
where: short stacking energy: -146.266
Base-Backbone interact. energy: -1.383
local terms energy: -161.702432
where:
bonds (distance) C4'-P energy: -31.470
bonds (distance) P-C4' energy: -30.502
flat angles C4'-P-C4' energy: -31.525
flat angles P-C4'-P energy: -23.768
tors. eta vs tors. theta energy: -44.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -426.853991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.853991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.853991 (E_RNA)
where:
Base-Base interactions energy: -280.441
where: short stacking energy: -130.039
Base-Backbone interact. energy: -0.563
local terms energy: -145.849428
where:
bonds (distance) C4'-P energy: -28.949
bonds (distance) P-C4' energy: -23.846
flat angles C4'-P-C4' energy: -31.015
flat angles P-C4'-P energy: -24.692
tors. eta vs tors. theta energy: -37.347
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: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -363.168571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.168571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.168571 (E_RNA)
where:
Base-Base interactions energy: -240.099
where: short stacking energy: -111.254
Base-Backbone interact. energy: -0.280
local terms energy: -122.789928
where:
bonds (distance) C4'-P energy: -20.745
bonds (distance) P-C4' energy: -28.609
flat angles C4'-P-C4' energy: -30.681
flat angles P-C4'-P energy: -15.149
tors. eta vs tors. theta energy: -27.606
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: 299
Temperature: 1.250000
Total energy: -391.663959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.663959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.663959 (E_RNA)
where:
Base-Base interactions energy: -261.937
where: short stacking energy: -123.681
Base-Backbone interact. energy: -1.364
local terms energy: -128.362928
where:
bonds (distance) C4'-P energy: -30.169
bonds (distance) P-C4' energy: -25.955
flat angles C4'-P-C4' energy: -25.812
flat angles P-C4'-P energy: -16.351
tors. eta vs tors. theta energy: -30.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -294.005059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.005059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.005059 (E_RNA)
where:
Base-Base interactions energy: -186.426
where: short stacking energy: -82.652
Base-Backbone interact. energy: 0.830
local terms energy: -108.408910
where:
bonds (distance) C4'-P energy: -25.902
bonds (distance) P-C4' energy: -26.049
flat angles C4'-P-C4' energy: -30.008
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -15.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -166.668533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.668533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.668533 (E_RNA)
where:
Base-Base interactions energy: -80.283
where: short stacking energy: -37.050
Base-Backbone interact. energy: 1.518
local terms energy: -87.903490
where:
bonds (distance) C4'-P energy: -28.961
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -25.138
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -1.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -537.635689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.635689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.635689 (E_RNA)
where:
Base-Base interactions energy: -378.262
where: short stacking energy: -154.084
Base-Backbone interact. energy: -0.394
local terms energy: -158.979422
where:
bonds (distance) C4'-P energy: -34.201
bonds (distance) P-C4' energy: -32.671
flat angles C4'-P-C4' energy: -26.378
flat angles P-C4'-P energy: -20.528
tors. eta vs tors. theta energy: -45.201
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: 9
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -533.234676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.234676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.234676 (E_RNA)
where:
Base-Base interactions energy: -378.083
where: short stacking energy: -163.929
Base-Backbone interact. energy: -0.004
local terms energy: -155.146955
where:
bonds (distance) C4'-P energy: -31.804
bonds (distance) P-C4' energy: -25.222
flat angles C4'-P-C4' energy: -27.651
flat angles P-C4'-P energy: -22.409
tors. eta vs tors. theta energy: -48.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -530.364052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.364052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.364052 (E_RNA)
where:
Base-Base interactions energy: -370.475
where: short stacking energy: -154.748
Base-Backbone interact. energy: -0.162
local terms energy: -159.726484
where:
bonds (distance) C4'-P energy: -31.429
bonds (distance) P-C4' energy: -30.620
flat angles C4'-P-C4' energy: -31.695
flat angles P-C4'-P energy: -19.822
tors. eta vs tors. theta energy: -46.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -508.563011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.563011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.563011 (E_RNA)
where:
Base-Base interactions energy: -365.175
where: short stacking energy: -149.789
Base-Backbone interact. energy: -0.420
local terms energy: -142.968351
where:
bonds (distance) C4'-P energy: -24.545
bonds (distance) P-C4' energy: -24.467
flat angles C4'-P-C4' energy: -27.709
flat angles P-C4'-P energy: -17.077
tors. eta vs tors. theta energy: -49.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -478.925206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.925206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.925206 (E_RNA)
where:
Base-Base interactions energy: -331.908
where: short stacking energy: -151.691
Base-Backbone interact. energy: -0.487
local terms energy: -146.530184
where:
bonds (distance) C4'-P energy: -28.471
bonds (distance) P-C4' energy: -27.937
flat angles C4'-P-C4' energy: -30.384
flat angles P-C4'-P energy: -17.390
tors. eta vs tors. theta energy: -42.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -429.221494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.221494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.221494 (E_RNA)
where:
Base-Base interactions energy: -292.343
where: short stacking energy: -133.766
Base-Backbone interact. energy: -0.187
local terms energy: -136.692124
where:
bonds (distance) C4'-P energy: -24.732
bonds (distance) P-C4' energy: -26.793
flat angles C4'-P-C4' energy: -28.691
flat angles P-C4'-P energy: -17.499
tors. eta vs tors. theta energy: -38.978
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: 3
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -397.973038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.973038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.973038 (E_RNA)
where:
Base-Base interactions energy: -271.678
where: short stacking energy: -105.032
Base-Backbone interact. energy: -0.199
local terms energy: -126.096216
where:
bonds (distance) C4'-P energy: -23.928
bonds (distance) P-C4' energy: -25.468
flat angles C4'-P-C4' energy: -27.545
flat angles P-C4'-P energy: -19.576
tors. eta vs tors. theta energy: -29.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -380.518738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.518738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.518738 (E_RNA)
where:
Base-Base interactions energy: -268.450
where: short stacking energy: -116.221
Base-Backbone interact. energy: -1.055
local terms energy: -111.012865
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -22.120
flat angles C4'-P-C4' energy: -29.602
flat angles P-C4'-P energy: -19.802
tors. eta vs tors. theta energy: -27.206
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: 1
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -290.645351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.645351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.645351 (E_RNA)
where:
Base-Base interactions energy: -187.890
where: short stacking energy: -82.012
Base-Backbone interact. energy: -0.416
local terms energy: -102.338483
where:
bonds (distance) C4'-P energy: -26.318
bonds (distance) P-C4' energy: -25.696
flat angles C4'-P-C4' energy: -23.385
flat angles P-C4'-P energy: -14.104
tors. eta vs tors. theta energy: -12.835
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: 10, replica: 5
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -133.327387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.327387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.327387 (E_RNA)
where:
Base-Base interactions energy: -49.440
where: short stacking energy: -46.423
Base-Backbone interact. energy: -0.384
local terms energy: -83.503417
where:
bonds (distance) C4'-P energy: -23.225
bonds (distance) P-C4' energy: -29.228
flat angles C4'-P-C4' energy: -17.985
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -2.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -529.238604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.238604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.238604 (E_RNA)
where:
Base-Base interactions energy: -372.312
where: short stacking energy: -155.817
Base-Backbone interact. energy: 0.622
local terms energy: -157.548454
where:
bonds (distance) C4'-P energy: -32.036
bonds (distance) P-C4' energy: -28.148
flat angles C4'-P-C4' energy: -33.192
flat angles P-C4'-P energy: -19.903
tors. eta vs tors. theta energy: -44.269
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: 301
Temperature: 0.950000
Total energy: -527.682804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.682804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.682804 (E_RNA)
where:
Base-Base interactions energy: -373.973
where: short stacking energy: -149.751
Base-Backbone interact. energy: -0.022
local terms energy: -153.687573
where:
bonds (distance) C4'-P energy: -26.306
bonds (distance) P-C4' energy: -25.405
flat angles C4'-P-C4' energy: -30.845
flat angles P-C4'-P energy: -22.351
tors. eta vs tors. theta energy: -48.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -516.561058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.561058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.561058 (E_RNA)
where:
Base-Base interactions energy: -371.242
where: short stacking energy: -155.336
Base-Backbone interact. energy: 0.185
local terms energy: -145.503853
where:
bonds (distance) C4'-P energy: -23.699
bonds (distance) P-C4' energy: -22.638
flat angles C4'-P-C4' energy: -31.372
flat angles P-C4'-P energy: -20.547
tors. eta vs tors. theta energy: -47.248
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: 4, replica: 7
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -514.321077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.321077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.321077 (E_RNA)
where:
Base-Base interactions energy: -358.525
where: short stacking energy: -142.977
Base-Backbone interact. energy: -0.394
local terms energy: -155.402787
where:
bonds (distance) C4'-P energy: -22.956
bonds (distance) P-C4' energy: -29.583
flat angles C4'-P-C4' energy: -33.248
flat angles P-C4'-P energy: -22.248
tors. eta vs tors. theta energy: -47.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -482.038005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.038005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.038005 (E_RNA)
where:
Base-Base interactions energy: -329.616
where: short stacking energy: -150.982
Base-Backbone interact. energy: -0.673
local terms energy: -151.748335
where:
bonds (distance) C4'-P energy: -24.848
bonds (distance) P-C4' energy: -26.317
flat angles C4'-P-C4' energy: -31.725
flat angles P-C4'-P energy: -21.013
tors. eta vs tors. theta energy: -47.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -442.728899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.728899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.728899 (E_RNA)
where:
Base-Base interactions energy: -300.681
where: short stacking energy: -139.017
Base-Backbone interact. energy: -0.480
local terms energy: -141.567439
where:
bonds (distance) C4'-P energy: -24.232
bonds (distance) P-C4' energy: -28.985
flat angles C4'-P-C4' energy: -27.842
flat angles P-C4'-P energy: -17.442
tors. eta vs tors. theta energy: -43.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -375.645974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.645974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.645974 (E_RNA)
where:
Base-Base interactions energy: -270.951
where: short stacking energy: -119.347
Base-Backbone interact. energy: -0.324
local terms energy: -104.370856
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -26.128
flat angles C4'-P-C4' energy: -18.918
flat angles P-C4'-P energy: -16.812
tors. eta vs tors. theta energy: -28.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -360.024031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.024031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.024031 (E_RNA)
where:
Base-Base interactions energy: -242.134
where: short stacking energy: -93.586
Base-Backbone interact. energy: 1.377
local terms energy: -119.267421
where:
bonds (distance) C4'-P energy: -26.175
bonds (distance) P-C4' energy: -24.016
flat angles C4'-P-C4' energy: -31.842
flat angles P-C4'-P energy: -15.248
tors. eta vs tors. theta energy: -21.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -306.859615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.859615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.859615 (E_RNA)
where:
Base-Base interactions energy: -208.220
where: short stacking energy: -77.276
Base-Backbone interact. energy: -2.207
local terms energy: -96.431834
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -26.550
flat angles C4'-P-C4' energy: -20.451
flat angles P-C4'-P energy: -17.690
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: 10, replica: 5
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -130.976971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.976971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.976971 (E_RNA)
where:
Base-Base interactions energy: -55.868
where: short stacking energy: -31.644
Base-Backbone interact. energy: -0.399
local terms energy: -74.710043
where:
bonds (distance) C4'-P energy: -26.433
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: 0.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -533.265666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.265666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.265666 (E_RNA)
where:
Base-Base interactions energy: -375.323
where: short stacking energy: -150.832
Base-Backbone interact. energy: -0.896
local terms energy: -157.046173
where:
bonds (distance) C4'-P energy: -27.544
bonds (distance) P-C4' energy: -28.534
flat angles C4'-P-C4' energy: -32.280
flat angles P-C4'-P energy: -24.072
tors. eta vs tors. theta energy: -44.617
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: 8
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -523.216603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.216603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.216603 (E_RNA)
where:
Base-Base interactions energy: -368.696
where: short stacking energy: -152.832
Base-Backbone interact. energy: -0.892
local terms energy: -153.628886
where:
bonds (distance) C4'-P energy: -25.150
bonds (distance) P-C4' energy: -28.010
flat angles C4'-P-C4' energy: -29.317
flat angles P-C4'-P energy: -25.876
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: 7
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -512.688494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.688494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.688494 (E_RNA)
where:
Base-Base interactions energy: -367.546
where: short stacking energy: -147.012
Base-Backbone interact. energy: -0.193
local terms energy: -144.948941
where:
bonds (distance) C4'-P energy: -22.964
bonds (distance) P-C4' energy: -19.627
flat angles C4'-P-C4' energy: -34.006
flat angles P-C4'-P energy: -24.717
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: 302
Temperature: 1.050000
Total energy: -511.880766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.880766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.880766 (E_RNA)
where:
Base-Base interactions energy: -368.432
where: short stacking energy: -139.948
Base-Backbone interact. energy: -0.318
local terms energy: -143.131388
where:
bonds (distance) C4'-P energy: -29.422
bonds (distance) P-C4' energy: -23.243
flat angles C4'-P-C4' energy: -31.183
flat angles P-C4'-P energy: -20.199
tors. eta vs tors. theta energy: -39.085
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: 2
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -458.769176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.769176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.769176 (E_RNA)
where:
Base-Base interactions energy: -326.499
where: short stacking energy: -138.571
Base-Backbone interact. energy: -0.126
local terms energy: -132.143860
where:
bonds (distance) C4'-P energy: -19.591
bonds (distance) P-C4' energy: -24.762
flat angles C4'-P-C4' energy: -28.208
flat angles P-C4'-P energy: -18.254
tors. eta vs tors. theta energy: -41.328
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: 4
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -486.528311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.528311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.528311 (E_RNA)
where:
Base-Base interactions energy: -338.199
where: short stacking energy: -150.984
Base-Backbone interact. energy: -0.987
local terms energy: -147.342633
where:
bonds (distance) C4'-P energy: -25.959
bonds (distance) P-C4' energy: -19.650
flat angles C4'-P-C4' energy: -31.860
flat angles P-C4'-P energy: -22.619
tors. eta vs tors. theta energy: -47.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -340.222728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.222728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.222728 (E_RNA)
where:
Base-Base interactions energy: -231.291
where: short stacking energy: -86.581
Base-Backbone interact. energy: -0.736
local terms energy: -108.195298
where:
bonds (distance) C4'-P energy: -26.450
bonds (distance) P-C4' energy: -26.311
flat angles C4'-P-C4' energy: -26.166
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -17.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -369.096624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.096624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.096624 (E_RNA)
where:
Base-Base interactions energy: -258.448
where: short stacking energy: -115.824
Base-Backbone interact. energy: -0.138
local terms energy: -110.511368
where:
bonds (distance) C4'-P energy: -20.637
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -20.894
flat angles P-C4'-P energy: -23.294
tors. eta vs tors. theta energy: -25.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -323.508414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.508414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.508414 (E_RNA)
where:
Base-Base interactions energy: -228.785
where: short stacking energy: -99.189
Base-Backbone interact. energy: -0.266
local terms energy: -94.458191
where:
bonds (distance) C4'-P energy: -25.514
bonds (distance) P-C4' energy: -20.889
flat angles C4'-P-C4' energy: -20.939
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -18.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -129.371463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.371463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.371463 (E_RNA)
where:
Base-Base interactions energy: -50.464
where: short stacking energy: -47.396
Base-Backbone interact. energy: 1.498
local terms energy: -80.404871
where:
bonds (distance) C4'-P energy: -20.641
bonds (distance) P-C4' energy: -24.067
flat angles C4'-P-C4' energy: -21.028
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -6.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -534.733932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.733932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.733932 (E_RNA)
where:
Base-Base interactions energy: -372.087
where: short stacking energy: -157.710
Base-Backbone interact. energy: -0.100
local terms energy: -162.546869
where:
bonds (distance) C4'-P energy: -27.394
bonds (distance) P-C4' energy: -30.421
flat angles C4'-P-C4' energy: -32.169
flat angles P-C4'-P energy: -24.618
tors. eta vs tors. theta energy: -47.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -520.184898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.184898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.184898 (E_RNA)
where:
Base-Base interactions energy: -368.144
where: short stacking energy: -155.931
Base-Backbone interact. energy: -0.674
local terms energy: -151.367160
where:
bonds (distance) C4'-P energy: -28.311
bonds (distance) P-C4' energy: -30.385
flat angles C4'-P-C4' energy: -29.197
flat angles P-C4'-P energy: -18.203
tors. eta vs tors. theta energy: -45.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -527.002788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.002788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.002788 (E_RNA)
where:
Base-Base interactions energy: -370.677
where: short stacking energy: -162.756
Base-Backbone interact. energy: -0.036
local terms energy: -156.289430
where:
bonds (distance) C4'-P energy: -25.754
bonds (distance) P-C4' energy: -26.980
flat angles C4'-P-C4' energy: -29.016
flat angles P-C4'-P energy: -26.533
tors. eta vs tors. theta energy: -48.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -509.474585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.474585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.474585 (E_RNA)
where:
Base-Base interactions energy: -362.757
where: short stacking energy: -144.915
Base-Backbone interact. energy: -0.609
local terms energy: -146.108225
where:
bonds (distance) C4'-P energy: -25.319
bonds (distance) P-C4' energy: -28.850
flat angles C4'-P-C4' energy: -25.773
flat angles P-C4'-P energy: -23.565
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: 5, replica: 2
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -441.107305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.107305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.107305 (E_RNA)
where:
Base-Base interactions energy: -294.451
where: short stacking energy: -129.037
Base-Backbone interact. energy: -0.670
local terms energy: -145.986069
where:
bonds (distance) C4'-P energy: -25.196
bonds (distance) P-C4' energy: -27.532
flat angles C4'-P-C4' energy: -30.840
flat angles P-C4'-P energy: -20.322
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: 6, replica: 4
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -473.725319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.725319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.725319 (E_RNA)
where:
Base-Base interactions energy: -333.605
where: short stacking energy: -143.525
Base-Backbone interact. energy: 0.566
local terms energy: -140.685924
where:
bonds (distance) C4'-P energy: -20.310
bonds (distance) P-C4' energy: -24.613
flat angles C4'-P-C4' energy: -34.011
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -47.426
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: 10
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -356.977372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.977372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.977372 (E_RNA)
where:
Base-Base interactions energy: -235.402
where: short stacking energy: -106.672
Base-Backbone interact. energy: -0.195
local terms energy: -121.381062
where:
bonds (distance) C4'-P energy: -24.044
bonds (distance) P-C4' energy: -33.313
flat angles C4'-P-C4' energy: -26.576
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -23.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -366.343342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.343342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.343342 (E_RNA)
where:
Base-Base interactions energy: -249.362
where: short stacking energy: -113.244
Base-Backbone interact. energy: -0.615
local terms energy: -116.366277
where:
bonds (distance) C4'-P energy: -24.855
bonds (distance) P-C4' energy: -25.161
flat angles C4'-P-C4' energy: -22.721
flat angles P-C4'-P energy: -18.568
tors. eta vs tors. theta energy: -25.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -315.921779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.921779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.921779 (E_RNA)
where:
Base-Base interactions energy: -206.155
where: short stacking energy: -90.556
Base-Backbone interact. energy: -0.327
local terms energy: -109.439742
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -28.433
flat angles C4'-P-C4' energy: -29.907
flat angles P-C4'-P energy: -15.721
tors. eta vs tors. theta energy: -19.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -133.124111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.124111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.124111 (E_RNA)
where:
Base-Base interactions energy: -60.156
where: short stacking energy: -57.132
Base-Backbone interact. energy: 1.114
local terms energy: -74.081693
where:
bonds (distance) C4'-P energy: -24.649
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -28.589
flat angles P-C4'-P energy: -1.439
tors. eta vs tors. theta energy: -2.490
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: 1, replica: 7
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -535.322479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.322479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.322479 (E_RNA)
where:
Base-Base interactions energy: -372.886
where: short stacking energy: -150.063
Base-Backbone interact. energy: 1.149
local terms energy: -163.585406
where:
bonds (distance) C4'-P energy: -31.887
bonds (distance) P-C4' energy: -30.245
flat angles C4'-P-C4' energy: -29.266
flat angles P-C4'-P energy: -26.296
tors. eta vs tors. theta energy: -45.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -531.332159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.332159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.332159 (E_RNA)
where:
Base-Base interactions energy: -368.970
where: short stacking energy: -152.495
Base-Backbone interact. energy: -0.689
local terms energy: -161.673572
where:
bonds (distance) C4'-P energy: -32.002
bonds (distance) P-C4' energy: -31.475
flat angles C4'-P-C4' energy: -29.171
flat angles P-C4'-P energy: -25.265
tors. eta vs tors. theta energy: -43.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -524.287638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.287638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.287638 (E_RNA)
where:
Base-Base interactions energy: -379.080
where: short stacking energy: -158.132
Base-Backbone interact. energy: 0.713
local terms energy: -145.920538
where:
bonds (distance) C4'-P energy: -21.693
bonds (distance) P-C4' energy: -21.466
flat angles C4'-P-C4' energy: -33.858
flat angles P-C4'-P energy: -22.423
tors. eta vs tors. theta energy: -46.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -516.162962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.162962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.162962 (E_RNA)
where:
Base-Base interactions energy: -372.394
where: short stacking energy: -150.626
Base-Backbone interact. energy: -0.155
local terms energy: -143.614882
where:
bonds (distance) C4'-P energy: -19.160
bonds (distance) P-C4' energy: -24.940
flat angles C4'-P-C4' energy: -31.113
flat angles P-C4'-P energy: -23.885
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: 5, replica: 4
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -501.639323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.639323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.639323 (E_RNA)
where:
Base-Base interactions energy: -348.166
where: short stacking energy: -147.792
Base-Backbone interact. energy: -0.392
local terms energy: -153.081594
where:
bonds (distance) C4'-P energy: -29.505
bonds (distance) P-C4' energy: -29.703
flat angles C4'-P-C4' energy: -29.072
flat angles P-C4'-P energy: -19.253
tors. eta vs tors. theta energy: -45.548
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: 2
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -434.548446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.548446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.548446 (E_RNA)
where:
Base-Base interactions energy: -307.019
where: short stacking energy: -136.415
Base-Backbone interact. energy: -1.123
local terms energy: -126.406527
where:
bonds (distance) C4'-P energy: -21.403
bonds (distance) P-C4' energy: -25.894
flat angles C4'-P-C4' energy: -30.537
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -38.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -354.791148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.791148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.791148 (E_RNA)
where:
Base-Base interactions energy: -239.146
where: short stacking energy: -102.623
Base-Backbone interact. energy: -0.609
local terms energy: -115.036050
where:
bonds (distance) C4'-P energy: -25.706
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -28.491
flat angles P-C4'-P energy: -22.739
tors. eta vs tors. theta energy: -19.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -347.606606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.606606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.606606 (E_RNA)
where:
Base-Base interactions energy: -235.575
where: short stacking energy: -101.486
Base-Backbone interact. energy: -0.339
local terms energy: -111.692572
where:
bonds (distance) C4'-P energy: -24.561
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -19.135
tors. eta vs tors. theta energy: -27.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -324.656405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.656405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.656405 (E_RNA)
where:
Base-Base interactions energy: -219.507
where: short stacking energy: -98.448
Base-Backbone interact. energy: -0.773
local terms energy: -104.376317
where:
bonds (distance) C4'-P energy: -17.349
bonds (distance) P-C4' energy: -25.374
flat angles C4'-P-C4' energy: -28.454
flat angles P-C4'-P energy: -16.155
tors. eta vs tors. theta energy: -17.045
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: 5
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -129.331015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.331015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.331015 (E_RNA)
where:
Base-Base interactions energy: -45.963
where: short stacking energy: -45.963
Base-Backbone interact. energy: -0.611
local terms energy: -82.756245
where:
bonds (distance) C4'-P energy: -24.318
bonds (distance) P-C4' energy: -25.674
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -17.904
tors. eta vs tors. theta energy: 0.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -542.066682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.066682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.066682 (E_RNA)
where:
Base-Base interactions energy: -378.084
where: short stacking energy: -158.440
Base-Backbone interact. energy: -0.466
local terms energy: -163.516246
where:
bonds (distance) C4'-P energy: -27.164
bonds (distance) P-C4' energy: -32.069
flat angles C4'-P-C4' energy: -31.167
flat angles P-C4'-P energy: -26.337
tors. eta vs tors. theta energy: -46.779
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: 6
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -529.425710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.425710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.425710 (E_RNA)
where:
Base-Base interactions energy: -372.176
where: short stacking energy: -155.052
Base-Backbone interact. energy: -0.526
local terms energy: -156.723375
where:
bonds (distance) C4'-P energy: -25.569
bonds (distance) P-C4' energy: -30.079
flat angles C4'-P-C4' energy: -34.571
flat angles P-C4'-P energy: -20.171
tors. eta vs tors. theta energy: -46.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -510.878401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.878401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.878401 (E_RNA)
where:
Base-Base interactions energy: -353.998
where: short stacking energy: -146.985
Base-Backbone interact. energy: -0.002
local terms energy: -156.877961
where:
bonds (distance) C4'-P energy: -28.025
bonds (distance) P-C4' energy: -25.602
flat angles C4'-P-C4' energy: -32.604
flat angles P-C4'-P energy: -24.014
tors. eta vs tors. theta energy: -46.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -498.128649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.128649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.128649 (E_RNA)
where:
Base-Base interactions energy: -344.633
where: short stacking energy: -139.424
Base-Backbone interact. energy: -0.004
local terms energy: -153.492439
where:
bonds (distance) C4'-P energy: -29.205
bonds (distance) P-C4' energy: -23.613
flat angles C4'-P-C4' energy: -28.993
flat angles P-C4'-P energy: -24.303
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: 8
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -502.899847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.899847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.899847 (E_RNA)
where:
Base-Base interactions energy: -351.740
where: short stacking energy: -146.125
Base-Backbone interact. energy: -0.067
local terms energy: -151.092906
where:
bonds (distance) C4'-P energy: -24.477
bonds (distance) P-C4' energy: -29.863
flat angles C4'-P-C4' energy: -32.589
flat angles P-C4'-P energy: -20.984
tors. eta vs tors. theta energy: -43.180
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: 6, replica: 2
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -427.332693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.332693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.332693 (E_RNA)
where:
Base-Base interactions energy: -284.938
where: short stacking energy: -127.087
Base-Backbone interact. energy: -0.644
local terms energy: -141.750650
where:
bonds (distance) C4'-P energy: -23.970
bonds (distance) P-C4' energy: -28.677
flat angles C4'-P-C4' energy: -28.991
flat angles P-C4'-P energy: -21.623
tors. eta vs tors. theta energy: -38.490
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: 305
Temperature: 1.200000
Total energy: -401.344123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.344123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.344123 (E_RNA)
where:
Base-Base interactions energy: -275.152
where: short stacking energy: -113.536
Base-Backbone interact. energy: -0.138
local terms energy: -126.053665
where:
bonds (distance) C4'-P energy: -27.373
bonds (distance) P-C4' energy: -24.936
flat angles C4'-P-C4' energy: -25.374
flat angles P-C4'-P energy: -20.834
tors. eta vs tors. theta energy: -27.536
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: 8, replica: 10
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -342.237857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.237857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.237857 (E_RNA)
where:
Base-Base interactions energy: -228.274
where: short stacking energy: -95.922
Base-Backbone interact. energy: -0.575
local terms energy: -113.388454
where:
bonds (distance) C4'-P energy: -16.572
bonds (distance) P-C4' energy: -25.982
flat angles C4'-P-C4' energy: -28.831
flat angles P-C4'-P energy: -17.913
tors. eta vs tors. theta energy: -24.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -330.381625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.381625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.381625 (E_RNA)
where:
Base-Base interactions energy: -215.844
where: short stacking energy: -100.286
Base-Backbone interact. energy: -0.919
local terms energy: -113.618550
where:
bonds (distance) C4'-P energy: -23.574
bonds (distance) P-C4' energy: -29.242
flat angles C4'-P-C4' energy: -29.180
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -19.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -135.138858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.138858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.138858 (E_RNA)
where:
Base-Base interactions energy: -53.486
where: short stacking energy: -37.409
Base-Backbone interact. energy: -0.787
local terms energy: -80.865460
where:
bonds (distance) C4'-P energy: -20.729
bonds (distance) P-C4' energy: -28.520
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -1.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -525.186017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.186017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.186017 (E_RNA)
where:
Base-Base interactions energy: -369.488
where: short stacking energy: -151.817
Base-Backbone interact. energy: -0.409
local terms energy: -155.288828
where:
bonds (distance) C4'-P energy: -31.211
bonds (distance) P-C4' energy: -29.678
flat angles C4'-P-C4' energy: -31.847
flat angles P-C4'-P energy: -20.870
tors. eta vs tors. theta energy: -41.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -529.005022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.005022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.005022 (E_RNA)
where:
Base-Base interactions energy: -371.406
where: short stacking energy: -156.335
Base-Backbone interact. energy: -0.241
local terms energy: -157.358204
where:
bonds (distance) C4'-P energy: -29.580
bonds (distance) P-C4' energy: -26.171
flat angles C4'-P-C4' energy: -32.038
flat angles P-C4'-P energy: -22.153
tors. eta vs tors. theta energy: -47.416
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: 4
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -514.055094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.055094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.055094 (E_RNA)
where:
Base-Base interactions energy: -364.906
where: short stacking energy: -148.761
Base-Backbone interact. energy: -0.375
local terms energy: -148.774714
where:
bonds (distance) C4'-P energy: -26.272
bonds (distance) P-C4' energy: -21.585
flat angles C4'-P-C4' energy: -31.526
flat angles P-C4'-P energy: -23.632
tors. eta vs tors. theta energy: -45.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -512.854491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.854491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.854491 (E_RNA)
where:
Base-Base interactions energy: -370.184
where: short stacking energy: -149.339
Base-Backbone interact. energy: -0.057
local terms energy: -142.613020
where:
bonds (distance) C4'-P energy: -24.905
bonds (distance) P-C4' energy: -23.173
flat angles C4'-P-C4' energy: -32.401
flat angles P-C4'-P energy: -17.607
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: 5, replica: 8
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -507.375799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.375799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.375799 (E_RNA)
where:
Base-Base interactions energy: -352.731
where: short stacking energy: -151.297
Base-Backbone interact. energy: 0.839
local terms energy: -155.484069
where:
bonds (distance) C4'-P energy: -25.163
bonds (distance) P-C4' energy: -28.249
flat angles C4'-P-C4' energy: -31.562
flat angles P-C4'-P energy: -23.890
tors. eta vs tors. theta energy: -46.620
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: 2
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -443.445385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.445385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.445385 (E_RNA)
where:
Base-Base interactions energy: -297.513
where: short stacking energy: -136.168
Base-Backbone interact. energy: -0.294
local terms energy: -145.638357
where:
bonds (distance) C4'-P energy: -29.500
bonds (distance) P-C4' energy: -26.254
flat angles C4'-P-C4' energy: -28.028
flat angles P-C4'-P energy: -23.786
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: 7, replica: 3
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -397.883804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.883804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.883804 (E_RNA)
where:
Base-Base interactions energy: -275.915
where: short stacking energy: -106.330
Base-Backbone interact. energy: -0.431
local terms energy: -121.537640
where:
bonds (distance) C4'-P energy: -20.597
bonds (distance) P-C4' energy: -30.580
flat angles C4'-P-C4' energy: -25.478
flat angles P-C4'-P energy: -17.920
tors. eta vs tors. theta energy: -26.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -325.876208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.876208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.876208 (E_RNA)
where:
Base-Base interactions energy: -214.829
where: short stacking energy: -93.010
Base-Backbone interact. energy: -0.498
local terms energy: -110.548827
where:
bonds (distance) C4'-P energy: -23.755
bonds (distance) P-C4' energy: -26.018
flat angles C4'-P-C4' energy: -26.809
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -22.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -359.207786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.207786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.207786 (E_RNA)
where:
Base-Base interactions energy: -230.636
where: short stacking energy: -114.304
Base-Backbone interact. energy: -1.467
local terms energy: -127.104751
where:
bonds (distance) C4'-P energy: -24.403
bonds (distance) P-C4' energy: -31.419
flat angles C4'-P-C4' energy: -23.348
flat angles P-C4'-P energy: -18.961
tors. eta vs tors. theta energy: -28.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -125.403333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.403333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.403333 (E_RNA)
where:
Base-Base interactions energy: -39.634
where: short stacking energy: -35.877
Base-Backbone interact. energy: 0.138
local terms energy: -85.906974
where:
bonds (distance) C4'-P energy: -26.446
bonds (distance) P-C4' energy: -25.807
flat angles C4'-P-C4' energy: -25.713
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: 5.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -541.931024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.931024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.931024 (E_RNA)
where:
Base-Base interactions energy: -392.060
where: short stacking energy: -152.964
Base-Backbone interact. energy: 0.322
local terms energy: -150.193191
where:
bonds (distance) C4'-P energy: -24.736
bonds (distance) P-C4' energy: -23.898
flat angles C4'-P-C4' energy: -36.406
flat angles P-C4'-P energy: -22.790
tors. eta vs tors. theta energy: -42.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -526.358202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.358202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.358202 (E_RNA)
where:
Base-Base interactions energy: -378.624
where: short stacking energy: -155.128
Base-Backbone interact. energy: 0.378
local terms energy: -148.112347
where:
bonds (distance) C4'-P energy: -25.788
bonds (distance) P-C4' energy: -28.795
flat angles C4'-P-C4' energy: -25.649
flat angles P-C4'-P energy: -25.285
tors. eta vs tors. theta energy: -42.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -521.885889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.885889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.885889 (E_RNA)
where:
Base-Base interactions energy: -365.598
where: short stacking energy: -145.425
Base-Backbone interact. energy: -0.151
local terms energy: -156.136405
where:
bonds (distance) C4'-P energy: -25.594
bonds (distance) P-C4' energy: -29.985
flat angles C4'-P-C4' energy: -35.961
flat angles P-C4'-P energy: -18.860
tors. eta vs tors. theta energy: -45.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -512.097753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.097753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.097753 (E_RNA)
where:
Base-Base interactions energy: -365.873
where: short stacking energy: -148.485
Base-Backbone interact. energy: -1.137
local terms energy: -145.087159
where:
bonds (distance) C4'-P energy: -23.846
bonds (distance) P-C4' energy: -26.578
flat angles C4'-P-C4' energy: -30.576
flat angles P-C4'-P energy: -21.366
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: 5, replica: 9
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -504.784215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.784215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.784215 (E_RNA)
where:
Base-Base interactions energy: -358.731
where: short stacking energy: -138.537
Base-Backbone interact. energy: -0.083
local terms energy: -145.970047
where:
bonds (distance) C4'-P energy: -28.462
bonds (distance) P-C4' energy: -27.079
flat angles C4'-P-C4' energy: -28.345
flat angles P-C4'-P energy: -20.162
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: 6, replica: 2
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -451.497570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.497570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.497570 (E_RNA)
where:
Base-Base interactions energy: -311.062
where: short stacking energy: -142.536
Base-Backbone interact. energy: -0.116
local terms energy: -140.318863
where:
bonds (distance) C4'-P energy: -22.643
bonds (distance) P-C4' energy: -24.912
flat angles C4'-P-C4' energy: -27.764
flat angles P-C4'-P energy: -22.008
tors. eta vs tors. theta energy: -42.991
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: 307
Temperature: 1.200000
Total energy: -395.288862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.288862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.288862 (E_RNA)
where:
Base-Base interactions energy: -277.547
where: short stacking energy: -127.280
Base-Backbone interact. energy: -0.786
local terms energy: -116.955208
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -23.671
flat angles P-C4'-P energy: -20.354
tors. eta vs tors. theta energy: -37.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -364.335678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.335678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.335678 (E_RNA)
where:
Base-Base interactions energy: -254.506
where: short stacking energy: -109.407
Base-Backbone interact. energy: -0.569
local terms energy: -109.261093
where:
bonds (distance) C4'-P energy: -23.394
bonds (distance) P-C4' energy: -24.062
flat angles C4'-P-C4' energy: -24.085
flat angles P-C4'-P energy: -14.603
tors. eta vs tors. theta energy: -23.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -320.081997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.081997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.081997 (E_RNA)
where:
Base-Base interactions energy: -215.841
where: short stacking energy: -95.067
Base-Backbone interact. energy: 0.626
local terms energy: -104.866355
where:
bonds (distance) C4'-P energy: -22.624
bonds (distance) P-C4' energy: -21.788
flat angles C4'-P-C4' energy: -24.279
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -24.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -137.961931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.961931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.961931 (E_RNA)
where:
Base-Base interactions energy: -47.273
where: short stacking energy: -46.131
Base-Backbone interact. energy: -0.194
local terms energy: -90.494964
where:
bonds (distance) C4'-P energy: -24.344
bonds (distance) P-C4' energy: -26.555
flat angles C4'-P-C4' energy: -23.775
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -3.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -532.838358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.838358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.838358 (E_RNA)
where:
Base-Base interactions energy: -383.532
where: short stacking energy: -156.375
Base-Backbone interact. energy: -0.006
local terms energy: -149.300558
where:
bonds (distance) C4'-P energy: -23.655
bonds (distance) P-C4' energy: -26.684
flat angles C4'-P-C4' energy: -26.314
flat angles P-C4'-P energy: -25.310
tors. eta vs tors. theta energy: -47.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -536.781941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.781941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.781941 (E_RNA)
where:
Base-Base interactions energy: -377.408
where: short stacking energy: -156.185
Base-Backbone interact. energy: -0.002
local terms energy: -159.371299
where:
bonds (distance) C4'-P energy: -26.357
bonds (distance) P-C4' energy: -27.586
flat angles C4'-P-C4' energy: -34.578
flat angles P-C4'-P energy: -22.402
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: 3, replica: 4
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -521.637079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.637079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.637079 (E_RNA)
where:
Base-Base interactions energy: -374.063
where: short stacking energy: -141.614
Base-Backbone interact. energy: -0.025
local terms energy: -147.548547
where:
bonds (distance) C4'-P energy: -20.990
bonds (distance) P-C4' energy: -26.448
flat angles C4'-P-C4' energy: -33.868
flat angles P-C4'-P energy: -23.234
tors. eta vs tors. theta energy: -43.010
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: 8
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -503.631649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.631649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.631649 (E_RNA)
where:
Base-Base interactions energy: -358.942
where: short stacking energy: -143.499
Base-Backbone interact. energy: -0.082
local terms energy: -144.607659
where:
bonds (distance) C4'-P energy: -30.362
bonds (distance) P-C4' energy: -21.257
flat angles C4'-P-C4' energy: -32.901
flat angles P-C4'-P energy: -20.615
tors. eta vs tors. theta energy: -39.472
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: 9
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -491.381833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.381833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.381833 (E_RNA)
where:
Base-Base interactions energy: -358.596
where: short stacking energy: -142.344
Base-Backbone interact. energy: 0.597
local terms energy: -133.382526
where:
bonds (distance) C4'-P energy: -26.045
bonds (distance) P-C4' energy: -26.820
flat angles C4'-P-C4' energy: -26.236
flat angles P-C4'-P energy: -17.778
tors. eta vs tors. theta energy: -36.504
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: 2
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -412.436091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.436091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.436091 (E_RNA)
where:
Base-Base interactions energy: -270.994
where: short stacking energy: -117.845
Base-Backbone interact. energy: -0.326
local terms energy: -141.116914
where:
bonds (distance) C4'-P energy: -26.302
bonds (distance) P-C4' energy: -29.734
flat angles C4'-P-C4' energy: -28.226
flat angles P-C4'-P energy: -23.214
tors. eta vs tors. theta energy: -33.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -403.548352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.548352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.548352 (E_RNA)
where:
Base-Base interactions energy: -274.607
where: short stacking energy: -125.118
Base-Backbone interact. energy: -0.165
local terms energy: -128.776151
where:
bonds (distance) C4'-P energy: -29.828
bonds (distance) P-C4' energy: -26.080
flat angles C4'-P-C4' energy: -24.399
flat angles P-C4'-P energy: -19.245
tors. eta vs tors. theta energy: -29.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -391.040547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.040547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.040547 (E_RNA)
where:
Base-Base interactions energy: -269.714
where: short stacking energy: -101.579
Base-Backbone interact. energy: 0.790
local terms energy: -122.117161
where:
bonds (distance) C4'-P energy: -24.240
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -30.060
flat angles P-C4'-P energy: -17.480
tors. eta vs tors. theta energy: -27.608
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: 10
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -335.525598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.525598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.525598 (E_RNA)
where:
Base-Base interactions energy: -211.143
where: short stacking energy: -97.015
Base-Backbone interact. energy: -0.794
local terms energy: -123.588209
where:
bonds (distance) C4'-P energy: -23.114
bonds (distance) P-C4' energy: -27.179
flat angles C4'-P-C4' energy: -28.503
flat angles P-C4'-P energy: -17.935
tors. eta vs tors. theta energy: -26.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -141.726659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.726659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.726659 (E_RNA)
where:
Base-Base interactions energy: -57.219
where: short stacking energy: -41.284
Base-Backbone interact. energy: -0.271
local terms energy: -84.236507
where:
bonds (distance) C4'-P energy: -20.385
bonds (distance) P-C4' energy: -25.307
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -19.010
tors. eta vs tors. theta energy: -4.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -533.507026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.507026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.507026 (E_RNA)
where:
Base-Base interactions energy: -382.019
where: short stacking energy: -159.752
Base-Backbone interact. energy: -0.294
local terms energy: -151.193634
where:
bonds (distance) C4'-P energy: -26.155
bonds (distance) P-C4' energy: -26.624
flat angles C4'-P-C4' energy: -31.312
flat angles P-C4'-P energy: -19.708
tors. eta vs tors. theta energy: -47.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -535.272089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.272089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.272089 (E_RNA)
where:
Base-Base interactions energy: -378.604
where: short stacking energy: -160.977
Base-Backbone interact. energy: -0.524
local terms energy: -156.144863
where:
bonds (distance) C4'-P energy: -29.617
bonds (distance) P-C4' energy: -28.350
flat angles C4'-P-C4' energy: -28.795
flat angles P-C4'-P energy: -22.084
tors. eta vs tors. theta energy: -47.298
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: 4
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -517.026250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.026250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.026250 (E_RNA)
where:
Base-Base interactions energy: -366.140
where: short stacking energy: -145.456
Base-Backbone interact. energy: -0.008
local terms energy: -150.877917
where:
bonds (distance) C4'-P energy: -26.393
bonds (distance) P-C4' energy: -30.882
flat angles C4'-P-C4' energy: -26.738
flat angles P-C4'-P energy: -21.614
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: 4, replica: 8
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -512.976254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.976254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.976254 (E_RNA)
where:
Base-Base interactions energy: -358.756
where: short stacking energy: -152.642
Base-Backbone interact. energy: -0.001
local terms energy: -154.219452
where:
bonds (distance) C4'-P energy: -24.851
bonds (distance) P-C4' energy: -25.145
flat angles C4'-P-C4' energy: -35.951
flat angles P-C4'-P energy: -24.396
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: 5, replica: 9
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -491.023855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.023855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.023855 (E_RNA)
where:
Base-Base interactions energy: -341.472
where: short stacking energy: -142.906
Base-Backbone interact. energy: -0.126
local terms energy: -149.426582
where:
bonds (distance) C4'-P energy: -24.330
bonds (distance) P-C4' energy: -27.939
flat angles C4'-P-C4' energy: -34.216
flat angles P-C4'-P energy: -22.459
tors. eta vs tors. theta energy: -40.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -418.716801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.716801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.716801 (E_RNA)
where:
Base-Base interactions energy: -287.115
where: short stacking energy: -129.254
Base-Backbone interact. energy: -0.066
local terms energy: -131.535257
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -26.383
flat angles C4'-P-C4' energy: -28.802
flat angles P-C4'-P energy: -23.276
tors. eta vs tors. theta energy: -38.570
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: 1
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -364.327819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.327819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.327819 (E_RNA)
where:
Base-Base interactions energy: -258.639
where: short stacking energy: -109.421
Base-Backbone interact. energy: -0.331
local terms energy: -105.357345
where:
bonds (distance) C4'-P energy: -25.378
bonds (distance) P-C4' energy: -22.275
flat angles C4'-P-C4' energy: -20.367
flat angles P-C4'-P energy: -17.488
tors. eta vs tors. theta energy: -19.848
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: 8, replica: 3
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -438.172989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.172989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.172989 (E_RNA)
where:
Base-Base interactions energy: -299.621
where: short stacking energy: -138.836
Base-Backbone interact. energy: -0.026
local terms energy: -138.526002
where:
bonds (distance) C4'-P energy: -23.900
bonds (distance) P-C4' energy: -26.554
flat angles C4'-P-C4' energy: -28.223
flat angles P-C4'-P energy: -20.564
tors. eta vs tors. theta energy: -39.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -310.182716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.182716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.182716 (E_RNA)
where:
Base-Base interactions energy: -195.443
where: short stacking energy: -91.554
Base-Backbone interact. energy: 0.163
local terms energy: -114.902484
where:
bonds (distance) C4'-P energy: -18.119
bonds (distance) P-C4' energy: -31.626
flat angles C4'-P-C4' energy: -30.702
flat angles P-C4'-P energy: -15.928
tors. eta vs tors. theta energy: -18.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -141.678206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.678206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.678206 (E_RNA)
where:
Base-Base interactions energy: -51.529
where: short stacking energy: -47.677
Base-Backbone interact. energy: -0.327
local terms energy: -89.822335
where:
bonds (distance) C4'-P energy: -23.197
bonds (distance) P-C4' energy: -27.962
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -9.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -539.145418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.145418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.145418 (E_RNA)
where:
Base-Base interactions energy: -372.013
where: short stacking energy: -156.394
Base-Backbone interact. energy: -0.144
local terms energy: -166.988127
where:
bonds (distance) C4'-P energy: -31.172
bonds (distance) P-C4' energy: -30.110
flat angles C4'-P-C4' energy: -31.953
flat angles P-C4'-P energy: -24.223
tors. eta vs tors. theta energy: -49.530
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: 6
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -516.685416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.685416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.685416 (E_RNA)
where:
Base-Base interactions energy: -370.250
where: short stacking energy: -148.198
Base-Backbone interact. energy: -0.575
local terms energy: -145.860766
where:
bonds (distance) C4'-P energy: -25.836
bonds (distance) P-C4' energy: -19.798
flat angles C4'-P-C4' energy: -34.393
flat angles P-C4'-P energy: -20.295
tors. eta vs tors. theta energy: -45.540
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: 8
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -508.920207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.920207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.920207 (E_RNA)
where:
Base-Base interactions energy: -356.732
where: short stacking energy: -144.349
Base-Backbone interact. energy: -0.005
local terms energy: -152.182975
where:
bonds (distance) C4'-P energy: -28.749
bonds (distance) P-C4' energy: -27.261
flat angles C4'-P-C4' energy: -27.293
flat angles P-C4'-P energy: -22.767
tors. eta vs tors. theta energy: -46.112
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: 4
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -509.154298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.154298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.154298 (E_RNA)
where:
Base-Base interactions energy: -367.606
where: short stacking energy: -147.739
Base-Backbone interact. energy: -0.614
local terms energy: -140.934195
where:
bonds (distance) C4'-P energy: -28.312
bonds (distance) P-C4' energy: -28.927
flat angles C4'-P-C4' energy: -26.875
flat angles P-C4'-P energy: -13.297
tors. eta vs tors. theta energy: -43.522
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: 9
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -515.365203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.365203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.365203 (E_RNA)
where:
Base-Base interactions energy: -366.295
where: short stacking energy: -155.641
Base-Backbone interact. energy: -0.142
local terms energy: -148.927948
where:
bonds (distance) C4'-P energy: -23.531
bonds (distance) P-C4' energy: -23.470
flat angles C4'-P-C4' energy: -31.550
flat angles P-C4'-P energy: -22.402
tors. eta vs tors. theta energy: -47.975
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: 2
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -408.288724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.288724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.288724 (E_RNA)
where:
Base-Base interactions energy: -284.353
where: short stacking energy: -122.598
Base-Backbone interact. energy: -0.260
local terms energy: -123.675183
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -22.932
flat angles C4'-P-C4' energy: -25.952
flat angles P-C4'-P energy: -22.833
tors. eta vs tors. theta energy: -34.311
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: 310
Temperature: 1.200000
Total energy: -419.727343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.727343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.727343 (E_RNA)
where:
Base-Base interactions energy: -289.869
where: short stacking energy: -125.866
Base-Backbone interact. energy: -0.393
local terms energy: -129.465740
where:
bonds (distance) C4'-P energy: -25.107
bonds (distance) P-C4' energy: -18.420
flat angles C4'-P-C4' energy: -30.804
flat angles P-C4'-P energy: -16.362
tors. eta vs tors. theta energy: -38.773
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: 1
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -362.866170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.866170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.866170 (E_RNA)
where:
Base-Base interactions energy: -246.178
where: short stacking energy: -95.175
Base-Backbone interact. energy: -0.441
local terms energy: -116.247027
where:
bonds (distance) C4'-P energy: -28.454
bonds (distance) P-C4' energy: -25.194
flat angles C4'-P-C4' energy: -21.540
flat angles P-C4'-P energy: -14.813
tors. eta vs tors. theta energy: -26.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -327.441619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.441619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.441619 (E_RNA)
where:
Base-Base interactions energy: -213.698
where: short stacking energy: -93.922
Base-Backbone interact. energy: 0.525
local terms energy: -114.268191
where:
bonds (distance) C4'-P energy: -23.283
bonds (distance) P-C4' energy: -25.868
flat angles C4'-P-C4' energy: -23.845
flat angles P-C4'-P energy: -21.489
tors. eta vs tors. theta energy: -19.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -141.703460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.703460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.703460 (E_RNA)
where:
Base-Base interactions energy: -42.747
where: short stacking energy: -42.747
Base-Backbone interact. energy: 0.630
local terms energy: -99.587188
where:
bonds (distance) C4'-P energy: -26.884
bonds (distance) P-C4' energy: -24.883
flat angles C4'-P-C4' energy: -21.214
flat angles P-C4'-P energy: -18.746
tors. eta vs tors. theta energy: -7.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -528.698491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.698491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.698491 (E_RNA)
where:
Base-Base interactions energy: -382.673
where: short stacking energy: -160.288
Base-Backbone interact. energy: 0.427
local terms energy: -146.452294
where:
bonds (distance) C4'-P energy: -26.832
bonds (distance) P-C4' energy: -25.994
flat angles C4'-P-C4' energy: -29.485
flat angles P-C4'-P energy: -17.163
tors. eta vs tors. theta energy: -46.978
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: 2, replica: 8
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -524.039112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.039112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.039112 (E_RNA)
where:
Base-Base interactions energy: -359.951
where: short stacking energy: -157.117
Base-Backbone interact. energy: -1.189
local terms energy: -162.899497
where:
bonds (distance) C4'-P energy: -28.910
bonds (distance) P-C4' energy: -24.568
flat angles C4'-P-C4' energy: -36.033
flat angles P-C4'-P energy: -27.227
tors. eta vs tors. theta energy: -46.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -512.603551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.603551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.603551 (E_RNA)
where:
Base-Base interactions energy: -364.630
where: short stacking energy: -146.274
Base-Backbone interact. energy: -0.185
local terms energy: -147.788497
where:
bonds (distance) C4'-P energy: -24.211
bonds (distance) P-C4' energy: -30.654
flat angles C4'-P-C4' energy: -32.759
flat angles P-C4'-P energy: -19.424
tors. eta vs tors. theta energy: -40.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -509.492444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.492444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.492444 (E_RNA)
where:
Base-Base interactions energy: -361.551
where: short stacking energy: -144.302
Base-Backbone interact. energy: -0.255
local terms energy: -147.686691
where:
bonds (distance) C4'-P energy: -22.898
bonds (distance) P-C4' energy: -28.891
flat angles C4'-P-C4' energy: -27.855
flat angles P-C4'-P energy: -23.028
tors. eta vs tors. theta energy: -45.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -500.223314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.223314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.223314 (E_RNA)
where:
Base-Base interactions energy: -356.020
where: short stacking energy: -150.810
Base-Backbone interact. energy: -0.124
local terms energy: -144.079038
where:
bonds (distance) C4'-P energy: -24.728
bonds (distance) P-C4' energy: -20.432
flat angles C4'-P-C4' energy: -33.386
flat angles P-C4'-P energy: -17.961
tors. eta vs tors. theta energy: -47.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -424.748785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.748785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.748785 (E_RNA)
where:
Base-Base interactions energy: -278.361
where: short stacking energy: -131.941
Base-Backbone interact. energy: -1.218
local terms energy: -145.170376
where:
bonds (distance) C4'-P energy: -29.050
bonds (distance) P-C4' energy: -30.164
flat angles C4'-P-C4' energy: -29.779
flat angles P-C4'-P energy: -19.493
tors. eta vs tors. theta energy: -36.684
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: 3
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -449.583240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.583240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.583240 (E_RNA)
where:
Base-Base interactions energy: -321.173
where: short stacking energy: -131.588
Base-Backbone interact. energy: -0.193
local terms energy: -128.217376
where:
bonds (distance) C4'-P energy: -21.184
bonds (distance) P-C4' energy: -29.003
flat angles C4'-P-C4' energy: -26.110
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -38.909
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: 10
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -346.546216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.546216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.546216 (E_RNA)
where:
Base-Base interactions energy: -216.514
where: short stacking energy: -94.387
Base-Backbone interact. energy: -0.389
local terms energy: -129.642710
where:
bonds (distance) C4'-P energy: -27.306
bonds (distance) P-C4' energy: -29.176
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -23.383
tors. eta vs tors. theta energy: -31.141
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: 1
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -350.395549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.395549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.395549 (E_RNA)
where:
Base-Base interactions energy: -231.401
where: short stacking energy: -102.926
Base-Backbone interact. energy: -0.492
local terms energy: -118.502232
where:
bonds (distance) C4'-P energy: -23.790
bonds (distance) P-C4' energy: -29.346
flat angles C4'-P-C4' energy: -24.276
flat angles P-C4'-P energy: -15.088
tors. eta vs tors. theta energy: -26.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -132.331090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.331090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.331090 (E_RNA)
where:
Base-Base interactions energy: -42.213
where: short stacking energy: -42.213
Base-Backbone interact. energy: 1.743
local terms energy: -91.860867
where:
bonds (distance) C4'-P energy: -29.353
bonds (distance) P-C4' energy: -22.822
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -22.010
tors. eta vs tors. theta energy: 0.182
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: 1, replica: 8
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -535.346831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.346831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.346831 (E_RNA)
where:
Base-Base interactions energy: -367.324
where: short stacking energy: -153.649
Base-Backbone interact. energy: -0.428
local terms energy: -167.595492
where:
bonds (distance) C4'-P energy: -29.770
bonds (distance) P-C4' energy: -32.712
flat angles C4'-P-C4' energy: -32.284
flat angles P-C4'-P energy: -25.577
tors. eta vs tors. theta energy: -47.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -523.926496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.926496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.926496 (E_RNA)
where:
Base-Base interactions energy: -373.564
where: short stacking energy: -159.777
Base-Backbone interact. energy: 1.212
local terms energy: -151.574078
where:
bonds (distance) C4'-P energy: -25.172
bonds (distance) P-C4' energy: -27.920
flat angles C4'-P-C4' energy: -30.627
flat angles P-C4'-P energy: -21.516
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: 9
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -523.173488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.173488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.173488 (E_RNA)
where:
Base-Base interactions energy: -363.916
where: short stacking energy: -152.186
Base-Backbone interact. energy: -0.205
local terms energy: -159.052045
where:
bonds (distance) C4'-P energy: -27.603
bonds (distance) P-C4' energy: -28.223
flat angles C4'-P-C4' energy: -29.372
flat angles P-C4'-P energy: -27.249
tors. eta vs tors. theta energy: -46.605
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: 6
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -512.396283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.396283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.396283 (E_RNA)
where:
Base-Base interactions energy: -362.109
where: short stacking energy: -151.542
Base-Backbone interact. energy: -0.246
local terms energy: -150.041229
where:
bonds (distance) C4'-P energy: -27.274
bonds (distance) P-C4' energy: -27.789
flat angles C4'-P-C4' energy: -31.457
flat angles P-C4'-P energy: -20.597
tors. eta vs tors. theta energy: -42.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -500.473924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.473924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.473924 (E_RNA)
where:
Base-Base interactions energy: -352.896
where: short stacking energy: -148.031
Base-Backbone interact. energy: -0.138
local terms energy: -147.439974
where:
bonds (distance) C4'-P energy: -24.947
bonds (distance) P-C4' energy: -27.230
flat angles C4'-P-C4' energy: -29.375
flat angles P-C4'-P energy: -17.968
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: 6, replica: 2
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -432.922225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.922225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.922225 (E_RNA)
where:
Base-Base interactions energy: -304.408
where: short stacking energy: -140.604
Base-Backbone interact. energy: -0.586
local terms energy: -127.928664
where:
bonds (distance) C4'-P energy: -27.846
bonds (distance) P-C4' energy: -22.222
flat angles C4'-P-C4' energy: -22.457
flat angles P-C4'-P energy: -14.484
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: 7, replica: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -439.167095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.167095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.167095 (E_RNA)
where:
Base-Base interactions energy: -305.248
where: short stacking energy: -123.072
Base-Backbone interact. energy: -0.074
local terms energy: -133.845686
where:
bonds (distance) C4'-P energy: -22.515
bonds (distance) P-C4' energy: -25.028
flat angles C4'-P-C4' energy: -32.008
flat angles P-C4'-P energy: -14.664
tors. eta vs tors. theta energy: -39.630
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: 8, replica: 10
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -338.751947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.751947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.751947 (E_RNA)
where:
Base-Base interactions energy: -227.737
where: short stacking energy: -102.662
Base-Backbone interact. energy: -0.175
local terms energy: -110.840771
where:
bonds (distance) C4'-P energy: -25.289
bonds (distance) P-C4' energy: -22.675
flat angles C4'-P-C4' energy: -18.663
flat angles P-C4'-P energy: -17.738
tors. eta vs tors. theta energy: -26.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -336.741631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.741631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.741631 (E_RNA)
where:
Base-Base interactions energy: -241.667
where: short stacking energy: -94.074
Base-Backbone interact. energy: -1.146
local terms energy: -93.928182
where:
bonds (distance) C4'-P energy: -24.293
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -21.326
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -14.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -123.956882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.956882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.956882 (E_RNA)
where:
Base-Base interactions energy: -44.752
where: short stacking energy: -44.752
Base-Backbone interact. energy: -0.248
local terms energy: -78.956989
where:
bonds (distance) C4'-P energy: -18.004
bonds (distance) P-C4' energy: -25.656
flat angles C4'-P-C4' energy: -22.500
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -0.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -532.590846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.590846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.590846 (E_RNA)
where:
Base-Base interactions energy: -374.750
where: short stacking energy: -153.236
Base-Backbone interact. energy: -0.611
local terms energy: -157.230327
where:
bonds (distance) C4'-P energy: -22.815
bonds (distance) P-C4' energy: -29.673
flat angles C4'-P-C4' energy: -33.672
flat angles P-C4'-P energy: -25.532
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: 2, replica: 9
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -533.897826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.897826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.897826 (E_RNA)
where:
Base-Base interactions energy: -368.601
where: short stacking energy: -161.994
Base-Backbone interact. energy: -0.059
local terms energy: -165.238064
where:
bonds (distance) C4'-P energy: -31.575
bonds (distance) P-C4' energy: -24.511
flat angles C4'-P-C4' energy: -34.593
flat angles P-C4'-P energy: -27.708
tors. eta vs tors. theta energy: -46.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -516.978866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.978866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.978866 (E_RNA)
where:
Base-Base interactions energy: -359.846
where: short stacking energy: -149.874
Base-Backbone interact. energy: -0.008
local terms energy: -157.124557
where:
bonds (distance) C4'-P energy: -27.801
bonds (distance) P-C4' energy: -28.931
flat angles C4'-P-C4' energy: -31.072
flat angles P-C4'-P energy: -21.605
tors. eta vs tors. theta energy: -47.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -498.147982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.147982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.147982 (E_RNA)
where:
Base-Base interactions energy: -342.531
where: short stacking energy: -138.669
Base-Backbone interact. energy: -0.045
local terms energy: -155.571192
where:
bonds (distance) C4'-P energy: -29.134
bonds (distance) P-C4' energy: -26.397
flat angles C4'-P-C4' energy: -28.404
flat angles P-C4'-P energy: -24.757
tors. eta vs tors. theta energy: -46.879
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: 5, replica: 6
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -509.089115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.089115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.089115 (E_RNA)
where:
Base-Base interactions energy: -359.628
where: short stacking energy: -145.202
Base-Backbone interact. energy: -0.005
local terms energy: -149.455272
where:
bonds (distance) C4'-P energy: -26.331
bonds (distance) P-C4' energy: -30.363
flat angles C4'-P-C4' energy: -26.986
flat angles P-C4'-P energy: -19.633
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: 6, replica: 3
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -458.970582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.970582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.970582 (E_RNA)
where:
Base-Base interactions energy: -323.450
where: short stacking energy: -134.084
Base-Backbone interact. energy: -0.199
local terms energy: -135.321519
where:
bonds (distance) C4'-P energy: -22.522
bonds (distance) P-C4' energy: -30.334
flat angles C4'-P-C4' energy: -32.411
flat angles P-C4'-P energy: -17.101
tors. eta vs tors. theta energy: -32.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -434.174053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.174053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.174053 (E_RNA)
where:
Base-Base interactions energy: -298.259
where: short stacking energy: -137.680
Base-Backbone interact. energy: -0.665
local terms energy: -135.249820
where:
bonds (distance) C4'-P energy: -27.515
bonds (distance) P-C4' energy: -26.988
flat angles C4'-P-C4' energy: -21.159
flat angles P-C4'-P energy: -19.281
tors. eta vs tors. theta energy: -40.307
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: 1
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -353.380769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.380769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.380769 (E_RNA)
where:
Base-Base interactions energy: -236.408
where: short stacking energy: -102.009
Base-Backbone interact. energy: -0.422
local terms energy: -116.550902
where:
bonds (distance) C4'-P energy: -27.929
bonds (distance) P-C4' energy: -28.466
flat angles C4'-P-C4' energy: -24.527
flat angles P-C4'-P energy: -20.579
tors. eta vs tors. theta energy: -15.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -335.119115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.119115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.119115 (E_RNA)
where:
Base-Base interactions energy: -230.011
where: short stacking energy: -98.528
Base-Backbone interact. energy: -0.146
local terms energy: -104.962757
where:
bonds (distance) C4'-P energy: -27.838
bonds (distance) P-C4' energy: -22.973
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -23.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -135.689525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.689525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.689525 (E_RNA)
where:
Base-Base interactions energy: -52.728
where: short stacking energy: -45.182
Base-Backbone interact. energy: -0.539
local terms energy: -82.422062
where:
bonds (distance) C4'-P energy: -20.908
bonds (distance) P-C4' energy: -26.905
flat angles C4'-P-C4' energy: -27.023
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: 1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -524.882325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.882325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.882325 (E_RNA)
where:
Base-Base interactions energy: -365.462
where: short stacking energy: -158.968
Base-Backbone interact. energy: 0.076
local terms energy: -159.496768
where:
bonds (distance) C4'-P energy: -26.613
bonds (distance) P-C4' energy: -28.503
flat angles C4'-P-C4' energy: -33.176
flat angles P-C4'-P energy: -24.928
tors. eta vs tors. theta energy: -46.276
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: 2, replica: 8
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -518.982530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.982530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.982530 (E_RNA)
where:
Base-Base interactions energy: -369.768
where: short stacking energy: -152.201
Base-Backbone interact. energy: -0.368
local terms energy: -148.847246
where:
bonds (distance) C4'-P energy: -23.151
bonds (distance) P-C4' energy: -31.134
flat angles C4'-P-C4' energy: -30.246
flat angles P-C4'-P energy: -21.118
tors. eta vs tors. theta energy: -43.198
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: 4
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -517.972389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.972389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.972389 (E_RNA)
where:
Base-Base interactions energy: -357.163
where: short stacking energy: -154.345
Base-Backbone interact. energy: -0.767
local terms energy: -160.042445
where:
bonds (distance) C4'-P energy: -30.690
bonds (distance) P-C4' energy: -28.672
flat angles C4'-P-C4' energy: -34.478
flat angles P-C4'-P energy: -21.069
tors. eta vs tors. theta energy: -45.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -506.616636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.616636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.616636 (E_RNA)
where:
Base-Base interactions energy: -367.913
where: short stacking energy: -137.927
Base-Backbone interact. energy: -0.170
local terms energy: -138.533791
where:
bonds (distance) C4'-P energy: -21.733
bonds (distance) P-C4' energy: -21.351
flat angles C4'-P-C4' energy: -31.296
flat angles P-C4'-P energy: -24.411
tors. eta vs tors. theta energy: -39.742
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: 6
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -507.788014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.788014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.788014 (E_RNA)
where:
Base-Base interactions energy: -353.644
where: short stacking energy: -146.849
Base-Backbone interact. energy: -0.009
local terms energy: -154.134528
where:
bonds (distance) C4'-P energy: -21.822
bonds (distance) P-C4' energy: -32.034
flat angles C4'-P-C4' energy: -31.691
flat angles P-C4'-P energy: -22.142
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: 6, replica: 3
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -458.293789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.293789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.293789 (E_RNA)
where:
Base-Base interactions energy: -324.492
where: short stacking energy: -136.519
Base-Backbone interact. energy: -0.144
local terms energy: -133.657409
where:
bonds (distance) C4'-P energy: -26.189
bonds (distance) P-C4' energy: -23.404
flat angles C4'-P-C4' energy: -29.390
flat angles P-C4'-P energy: -15.876
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: 7, replica: 2
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -421.436194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.436194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.436194 (E_RNA)
where:
Base-Base interactions energy: -285.191
where: short stacking energy: -121.366
Base-Backbone interact. energy: -0.584
local terms energy: -135.661460
where:
bonds (distance) C4'-P energy: -32.163
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -24.512
flat angles P-C4'-P energy: -22.851
tors. eta vs tors. theta energy: -36.622
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: 8, replica: 1
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -356.486281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.486281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.486281 (E_RNA)
where:
Base-Base interactions energy: -237.129
where: short stacking energy: -99.593
Base-Backbone interact. energy: -0.412
local terms energy: -118.945135
where:
bonds (distance) C4'-P energy: -23.476
bonds (distance) P-C4' energy: -30.257
flat angles C4'-P-C4' energy: -32.840
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -21.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -321.970031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.970031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.970031 (E_RNA)
where:
Base-Base interactions energy: -208.958
where: short stacking energy: -89.599
Base-Backbone interact. energy: 1.831
local terms energy: -114.843836
where:
bonds (distance) C4'-P energy: -29.960
bonds (distance) P-C4' energy: -23.966
flat angles C4'-P-C4' energy: -24.132
flat angles P-C4'-P energy: -19.389
tors. eta vs tors. theta energy: -17.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -141.978111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.978111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.978111 (E_RNA)
where:
Base-Base interactions energy: -56.019
where: short stacking energy: -38.782
Base-Backbone interact. energy: -0.362
local terms energy: -85.597590
where:
bonds (distance) C4'-P energy: -25.904
bonds (distance) P-C4' energy: -26.190
flat angles C4'-P-C4' energy: -26.728
flat angles P-C4'-P energy: -8.356
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: 1, replica: 9
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -536.764439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.764439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.764439 (E_RNA)
where:
Base-Base interactions energy: -374.776
where: short stacking energy: -158.240
Base-Backbone interact. energy: -0.619
local terms energy: -161.369107
where:
bonds (distance) C4'-P energy: -24.127
bonds (distance) P-C4' energy: -31.127
flat angles C4'-P-C4' energy: -30.674
flat angles P-C4'-P energy: -25.809
tors. eta vs tors. theta energy: -49.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -528.000789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.000789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.000789 (E_RNA)
where:
Base-Base interactions energy: -370.366
where: short stacking energy: -153.323
Base-Backbone interact. energy: -0.237
local terms energy: -157.397366
where:
bonds (distance) C4'-P energy: -28.764
bonds (distance) P-C4' energy: -32.231
flat angles C4'-P-C4' energy: -32.459
flat angles P-C4'-P energy: -19.716
tors. eta vs tors. theta energy: -44.228
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: 4
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -507.542772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.542772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.542772 (E_RNA)
where:
Base-Base interactions energy: -366.983
where: short stacking energy: -153.124
Base-Backbone interact. energy: 1.093
local terms energy: -141.652710
where:
bonds (distance) C4'-P energy: -23.998
bonds (distance) P-C4' energy: -17.772
flat angles C4'-P-C4' energy: -35.783
flat angles P-C4'-P energy: -20.234
tors. eta vs tors. theta energy: -43.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -505.041966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.041966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.041966 (E_RNA)
where:
Base-Base interactions energy: -364.142
where: short stacking energy: -130.856
Base-Backbone interact. energy: -0.372
local terms energy: -140.528289
where:
bonds (distance) C4'-P energy: -27.008
bonds (distance) P-C4' energy: -26.357
flat angles C4'-P-C4' energy: -28.601
flat angles P-C4'-P energy: -18.042
tors. eta vs tors. theta energy: -40.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -498.409800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.409800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.409800 (E_RNA)
where:
Base-Base interactions energy: -359.038
where: short stacking energy: -141.989
Base-Backbone interact. energy: -0.026
local terms energy: -139.345314
where:
bonds (distance) C4'-P energy: -23.574
bonds (distance) P-C4' energy: -28.899
flat angles C4'-P-C4' energy: -26.001
flat angles P-C4'-P energy: -17.980
tors. eta vs tors. theta energy: -42.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -470.666211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.666211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.666211 (E_RNA)
where:
Base-Base interactions energy: -335.295
where: short stacking energy: -128.612
Base-Backbone interact. energy: -0.088
local terms energy: -135.283106
where:
bonds (distance) C4'-P energy: -23.093
bonds (distance) P-C4' energy: -25.200
flat angles C4'-P-C4' energy: -30.622
flat angles P-C4'-P energy: -19.188
tors. eta vs tors. theta energy: -37.180
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: 2
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -407.029994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.029994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.029994 (E_RNA)
where:
Base-Base interactions energy: -272.385
where: short stacking energy: -121.686
Base-Backbone interact. energy: -0.333
local terms energy: -134.312048
where:
bonds (distance) C4'-P energy: -29.745
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -29.237
flat angles P-C4'-P energy: -22.458
tors. eta vs tors. theta energy: -28.234
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: 8, replica: 10
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -319.730812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.730812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.730812 (E_RNA)
where:
Base-Base interactions energy: -211.326
where: short stacking energy: -94.286
Base-Backbone interact. energy: -0.652
local terms energy: -107.752120
where:
bonds (distance) C4'-P energy: -20.692
bonds (distance) P-C4' energy: -21.038
flat angles C4'-P-C4' energy: -25.818
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: -24.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -334.759750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.759750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.759750 (E_RNA)
where:
Base-Base interactions energy: -215.624
where: short stacking energy: -96.635
Base-Backbone interact. energy: -0.813
local terms energy: -118.323332
where:
bonds (distance) C4'-P energy: -24.815
bonds (distance) P-C4' energy: -26.829
flat angles C4'-P-C4' energy: -25.828
flat angles P-C4'-P energy: -17.016
tors. eta vs tors. theta energy: -23.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -140.845801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.845801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.845801 (E_RNA)
where:
Base-Base interactions energy: -54.589
where: short stacking energy: -43.708
Base-Backbone interact. energy: -1.280
local terms energy: -84.976992
where:
bonds (distance) C4'-P energy: -22.431
bonds (distance) P-C4' energy: -26.225
flat angles C4'-P-C4' energy: -22.552
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: 2.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -540.638105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.638105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.638105 (E_RNA)
where:
Base-Base interactions energy: -378.605
where: short stacking energy: -161.012
Base-Backbone interact. energy: -0.520
local terms energy: -161.512929
where:
bonds (distance) C4'-P energy: -27.764
bonds (distance) P-C4' energy: -29.683
flat angles C4'-P-C4' energy: -32.626
flat angles P-C4'-P energy: -23.613
tors. eta vs tors. theta energy: -47.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -528.442593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.442593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.442593 (E_RNA)
where:
Base-Base interactions energy: -371.432
where: short stacking energy: -156.015
Base-Backbone interact. energy: -0.257
local terms energy: -156.752741
where:
bonds (distance) C4'-P energy: -21.253
bonds (distance) P-C4' energy: -27.510
flat angles C4'-P-C4' energy: -32.129
flat angles P-C4'-P energy: -28.253
tors. eta vs tors. theta energy: -47.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -518.143293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.143293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.143293 (E_RNA)
where:
Base-Base interactions energy: -373.324
where: short stacking energy: -147.539
Base-Backbone interact. energy: -0.432
local terms energy: -144.387924
where:
bonds (distance) C4'-P energy: -25.375
bonds (distance) P-C4' energy: -26.704
flat angles C4'-P-C4' energy: -32.880
flat angles P-C4'-P energy: -20.918
tors. eta vs tors. theta energy: -38.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -500.458491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.458491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.458491 (E_RNA)
where:
Base-Base interactions energy: -350.476
where: short stacking energy: -145.621
Base-Backbone interact. energy: 0.008
local terms energy: -149.990449
where:
bonds (distance) C4'-P energy: -24.479
bonds (distance) P-C4' energy: -25.161
flat angles C4'-P-C4' energy: -31.379
flat angles P-C4'-P energy: -25.417
tors. eta vs tors. theta energy: -43.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -506.364796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.364796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.364796 (E_RNA)
where:
Base-Base interactions energy: -369.179
where: short stacking energy: -156.713
Base-Backbone interact. energy: -0.036
local terms energy: -137.150417
where:
bonds (distance) C4'-P energy: -29.404
bonds (distance) P-C4' energy: -20.897
flat angles C4'-P-C4' energy: -26.486
flat angles P-C4'-P energy: -17.609
tors. eta vs tors. theta energy: -42.754
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: 6, replica: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -445.830991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.830991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.830991 (E_RNA)
where:
Base-Base interactions energy: -320.523
where: short stacking energy: -129.549
Base-Backbone interact. energy: -0.020
local terms energy: -125.288126
where:
bonds (distance) C4'-P energy: -27.150
bonds (distance) P-C4' energy: -29.632
flat angles C4'-P-C4' energy: -24.967
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -33.105
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: 2
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -430.416798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.416798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.416798 (E_RNA)
where:
Base-Base interactions energy: -285.464
where: short stacking energy: -132.847
Base-Backbone interact. energy: -0.879
local terms energy: -144.073751
where:
bonds (distance) C4'-P energy: -24.363
bonds (distance) P-C4' energy: -23.608
flat angles C4'-P-C4' energy: -32.310
flat angles P-C4'-P energy: -20.784
tors. eta vs tors. theta energy: -43.009
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: 10
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -327.835076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.835076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.835076 (E_RNA)
where:
Base-Base interactions energy: -213.543
where: short stacking energy: -96.598
Base-Backbone interact. energy: 0.605
local terms energy: -114.896118
where:
bonds (distance) C4'-P energy: -26.708
bonds (distance) P-C4' energy: -27.433
flat angles C4'-P-C4' energy: -22.784
flat angles P-C4'-P energy: -17.670
tors. eta vs tors. theta energy: -20.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -321.557913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.557913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.557913 (E_RNA)
where:
Base-Base interactions energy: -217.401
where: short stacking energy: -84.110
Base-Backbone interact. energy: -0.941
local terms energy: -103.215560
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -20.356
flat angles C4'-P-C4' energy: -24.548
flat angles P-C4'-P energy: -23.785
tors. eta vs tors. theta energy: -17.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -125.645887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.645887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.645887 (E_RNA)
where:
Base-Base interactions energy: -41.915
where: short stacking energy: -37.877
Base-Backbone interact. energy: -0.978
local terms energy: -82.753194
where:
bonds (distance) C4'-P energy: -20.065
bonds (distance) P-C4' energy: -26.183
flat angles C4'-P-C4' energy: -21.957
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -1.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -537.974803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.974803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.974803 (E_RNA)
where:
Base-Base interactions energy: -372.919
where: short stacking energy: -151.596
Base-Backbone interact. energy: -0.633
local terms energy: -164.423421
where:
bonds (distance) C4'-P energy: -29.724
bonds (distance) P-C4' energy: -28.707
flat angles C4'-P-C4' energy: -31.893
flat angles P-C4'-P energy: -25.323
tors. eta vs tors. theta energy: -48.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -518.541078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.541078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.541078 (E_RNA)
where:
Base-Base interactions energy: -359.862
where: short stacking energy: -137.276
Base-Backbone interact. energy: -0.839
local terms energy: -157.840647
where:
bonds (distance) C4'-P energy: -28.461
bonds (distance) P-C4' energy: -32.294
flat angles C4'-P-C4' energy: -32.158
flat angles P-C4'-P energy: -22.440
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: 3, replica: 9
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -520.193099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.193099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.193099 (E_RNA)
where:
Base-Base interactions energy: -373.156
where: short stacking energy: -158.992
Base-Backbone interact. energy: -0.080
local terms energy: -146.956984
where:
bonds (distance) C4'-P energy: -27.711
bonds (distance) P-C4' energy: -23.970
flat angles C4'-P-C4' energy: -29.467
flat angles P-C4'-P energy: -21.583
tors. eta vs tors. theta energy: -44.226
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: 4
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -494.903473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.903473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.903473 (E_RNA)
where:
Base-Base interactions energy: -346.091
where: short stacking energy: -152.285
Base-Backbone interact. energy: -0.043
local terms energy: -148.769075
where:
bonds (distance) C4'-P energy: -28.533
bonds (distance) P-C4' energy: -20.928
flat angles C4'-P-C4' energy: -30.102
flat angles P-C4'-P energy: -21.342
tors. eta vs tors. theta energy: -47.864
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: 6
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -509.380482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.380482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.380482 (E_RNA)
where:
Base-Base interactions energy: -363.417
where: short stacking energy: -146.262
Base-Backbone interact. energy: -0.231
local terms energy: -145.732696
where:
bonds (distance) C4'-P energy: -25.483
bonds (distance) P-C4' energy: -24.017
flat angles C4'-P-C4' energy: -29.977
flat angles P-C4'-P energy: -18.352
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: 6, replica: 3
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -446.131488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.131488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.131488 (E_RNA)
where:
Base-Base interactions energy: -314.052
where: short stacking energy: -136.622
Base-Backbone interact. energy: -0.617
local terms energy: -131.462460
where:
bonds (distance) C4'-P energy: -24.313
bonds (distance) P-C4' energy: -22.460
flat angles C4'-P-C4' energy: -30.726
flat angles P-C4'-P energy: -19.914
tors. eta vs tors. theta energy: -34.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -427.998130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.998130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.998130 (E_RNA)
where:
Base-Base interactions energy: -298.525
where: short stacking energy: -136.071
Base-Backbone interact. energy: -0.264
local terms energy: -129.209831
where:
bonds (distance) C4'-P energy: -30.505
bonds (distance) P-C4' energy: -23.282
flat angles C4'-P-C4' energy: -23.218
flat angles P-C4'-P energy: -13.588
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: 8, replica: 1
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -316.854903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.854903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.854903 (E_RNA)
where:
Base-Base interactions energy: -223.999
where: short stacking energy: -102.267
Base-Backbone interact. energy: 3.094
local terms energy: -95.950657
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -24.926
flat angles C4'-P-C4' energy: -24.557
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -22.386
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: 10
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -315.490843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.490843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.490843 (E_RNA)
where:
Base-Base interactions energy: -199.180
where: short stacking energy: -95.052
Base-Backbone interact. energy: -0.385
local terms energy: -115.925244
where:
bonds (distance) C4'-P energy: -20.224
bonds (distance) P-C4' energy: -24.775
flat angles C4'-P-C4' energy: -28.532
flat angles P-C4'-P energy: -15.185
tors. eta vs tors. theta energy: -27.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -146.569652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.569652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.569652 (E_RNA)
where:
Base-Base interactions energy: -61.591
where: short stacking energy: -56.761
Base-Backbone interact. energy: -0.168
local terms energy: -84.810069
where:
bonds (distance) C4'-P energy: -25.439
bonds (distance) P-C4' energy: -22.386
flat angles C4'-P-C4' energy: -25.544
flat angles P-C4'-P energy: -2.602
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: 1, replica: 7
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -532.002575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.002575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.002575 (E_RNA)
where:
Base-Base interactions energy: -375.699
where: short stacking energy: -158.268
Base-Backbone interact. energy: -0.026
local terms energy: -156.278009
where:
bonds (distance) C4'-P energy: -31.493
bonds (distance) P-C4' energy: -23.533
flat angles C4'-P-C4' energy: -33.507
flat angles P-C4'-P energy: -27.311
tors. eta vs tors. theta energy: -40.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -522.802619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.802619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.802619 (E_RNA)
where:
Base-Base interactions energy: -369.780
where: short stacking energy: -152.204
Base-Backbone interact. energy: -0.095
local terms energy: -152.927811
where:
bonds (distance) C4'-P energy: -24.354
bonds (distance) P-C4' energy: -27.979
flat angles C4'-P-C4' energy: -27.506
flat angles P-C4'-P energy: -26.068
tors. eta vs tors. theta energy: -47.021
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: 3, replica: 4
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -501.673968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.673968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.673968 (E_RNA)
where:
Base-Base interactions energy: -353.955
where: short stacking energy: -149.618
Base-Backbone interact. energy: 1.400
local terms energy: -149.119268
where:
bonds (distance) C4'-P energy: -22.546
bonds (distance) P-C4' energy: -27.060
flat angles C4'-P-C4' energy: -29.322
flat angles P-C4'-P energy: -22.861
tors. eta vs tors. theta energy: -47.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -522.919038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.919038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.919038 (E_RNA)
where:
Base-Base interactions energy: -371.660
where: short stacking energy: -153.243
Base-Backbone interact. energy: -0.141
local terms energy: -151.118502
where:
bonds (distance) C4'-P energy: -24.662
bonds (distance) P-C4' energy: -25.191
flat angles C4'-P-C4' energy: -34.413
flat angles P-C4'-P energy: -21.186
tors. eta vs tors. theta energy: -45.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -502.500608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.500608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.500608 (E_RNA)
where:
Base-Base interactions energy: -365.962
where: short stacking energy: -149.709
Base-Backbone interact. energy: -0.191
local terms energy: -136.348016
where:
bonds (distance) C4'-P energy: -24.869
bonds (distance) P-C4' energy: -18.173
flat angles C4'-P-C4' energy: -28.649
flat angles P-C4'-P energy: -17.954
tors. eta vs tors. theta energy: -46.704
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: 6, replica: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -440.162302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.162302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.162302 (E_RNA)
where:
Base-Base interactions energy: -319.777
where: short stacking energy: -131.083
Base-Backbone interact. energy: -0.807
local terms energy: -119.578340
where:
bonds (distance) C4'-P energy: -24.733
bonds (distance) P-C4' energy: -21.942
flat angles C4'-P-C4' energy: -30.160
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -33.522
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: 2
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -435.003399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.003399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.003399 (E_RNA)
where:
Base-Base interactions energy: -296.863
where: short stacking energy: -142.811
Base-Backbone interact. energy: -0.489
local terms energy: -137.651254
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -28.797
flat angles C4'-P-C4' energy: -30.036
flat angles P-C4'-P energy: -20.986
tors. eta vs tors. theta energy: -39.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -311.515967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.515967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.515967 (E_RNA)
where:
Base-Base interactions energy: -204.580
where: short stacking energy: -93.448
Base-Backbone interact. energy: -0.110
local terms energy: -106.826674
where:
bonds (distance) C4'-P energy: -20.265
bonds (distance) P-C4' energy: -23.937
flat angles C4'-P-C4' energy: -23.031
flat angles P-C4'-P energy: -9.461
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: 9, replica: 10
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -321.422307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.422307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.422307 (E_RNA)
where:
Base-Base interactions energy: -208.883
where: short stacking energy: -83.897
Base-Backbone interact. energy: 0.065
local terms energy: -112.603919
where:
bonds (distance) C4'-P energy: -23.695
bonds (distance) P-C4' energy: -24.346
flat angles C4'-P-C4' energy: -27.888
flat angles P-C4'-P energy: -18.354
tors. eta vs tors. theta energy: -18.320
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: 5
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -154.903764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.903764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.903764 (E_RNA)
where:
Base-Base interactions energy: -57.512
where: short stacking energy: -51.243
Base-Backbone interact. energy: -0.747
local terms energy: -96.645286
where:
bonds (distance) C4'-P energy: -23.643
bonds (distance) P-C4' energy: -29.138
flat angles C4'-P-C4' energy: -26.108
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -531.750893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.750893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.750893 (E_RNA)
where:
Base-Base interactions energy: -366.217
where: short stacking energy: -152.543
Base-Backbone interact. energy: -0.155
local terms energy: -165.379454
where:
bonds (distance) C4'-P energy: -28.995
bonds (distance) P-C4' energy: -33.613
flat angles C4'-P-C4' energy: -32.927
flat angles P-C4'-P energy: -19.803
tors. eta vs tors. theta energy: -50.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -503.254698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.254698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.254698 (E_RNA)
where:
Base-Base interactions energy: -345.520
where: short stacking energy: -142.925
Base-Backbone interact. energy: -0.110
local terms energy: -157.623941
where:
bonds (distance) C4'-P energy: -26.106
bonds (distance) P-C4' energy: -22.587
flat angles C4'-P-C4' energy: -35.049
flat angles P-C4'-P energy: -25.224
tors. eta vs tors. theta energy: -48.658
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: 8
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -515.742241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.742241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.742241 (E_RNA)
where:
Base-Base interactions energy: -362.993
where: short stacking energy: -153.876
Base-Backbone interact. energy: -0.003
local terms energy: -152.746291
where:
bonds (distance) C4'-P energy: -27.259
bonds (distance) P-C4' energy: -24.308
flat angles C4'-P-C4' energy: -31.102
flat angles P-C4'-P energy: -25.727
tors. eta vs tors. theta energy: -44.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -496.143834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.143834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.143834 (E_RNA)
where:
Base-Base interactions energy: -345.269
where: short stacking energy: -148.132
Base-Backbone interact. energy: -0.203
local terms energy: -150.671887
where:
bonds (distance) C4'-P energy: -25.743
bonds (distance) P-C4' energy: -28.933
flat angles C4'-P-C4' energy: -30.781
flat angles P-C4'-P energy: -21.222
tors. eta vs tors. theta energy: -43.993
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: 5, replica: 9
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -515.377454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.377454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.377454 (E_RNA)
where:
Base-Base interactions energy: -371.533
where: short stacking energy: -150.716
Base-Backbone interact. energy: -0.345
local terms energy: -143.499766
where:
bonds (distance) C4'-P energy: -17.704
bonds (distance) P-C4' energy: -28.649
flat angles C4'-P-C4' energy: -33.467
flat angles P-C4'-P energy: -19.507
tors. eta vs tors. theta energy: -44.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -444.466101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.466101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.466101 (E_RNA)
where:
Base-Base interactions energy: -307.910
where: short stacking energy: -128.804
Base-Backbone interact. energy: -0.709
local terms energy: -135.846700
where:
bonds (distance) C4'-P energy: -23.224
bonds (distance) P-C4' energy: -24.166
flat angles C4'-P-C4' energy: -28.141
flat angles P-C4'-P energy: -19.779
tors. eta vs tors. theta energy: -40.537
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: 2
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -408.686898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.686898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.686898 (E_RNA)
where:
Base-Base interactions energy: -289.124
where: short stacking energy: -123.514
Base-Backbone interact. energy: -0.078
local terms energy: -119.485211
where:
bonds (distance) C4'-P energy: -21.638
bonds (distance) P-C4' energy: -25.496
flat angles C4'-P-C4' energy: -27.257
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -34.099
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: 10
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -327.118084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.118084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.118084 (E_RNA)
where:
Base-Base interactions energy: -219.393
where: short stacking energy: -97.479
Base-Backbone interact. energy: -0.388
local terms energy: -107.337013
where:
bonds (distance) C4'-P energy: -20.600
bonds (distance) P-C4' energy: -26.492
flat angles C4'-P-C4' energy: -24.582
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -24.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -346.502455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.502455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.502455 (E_RNA)
where:
Base-Base interactions energy: -236.353
where: short stacking energy: -101.649
Base-Backbone interact. energy: 0.086
local terms energy: -110.235709
where:
bonds (distance) C4'-P energy: -21.395
bonds (distance) P-C4' energy: -20.756
flat angles C4'-P-C4' energy: -23.025
flat angles P-C4'-P energy: -17.156
tors. eta vs tors. theta energy: -27.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -138.881828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.881828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.881828 (E_RNA)
where:
Base-Base interactions energy: -54.677
where: short stacking energy: -45.566
Base-Backbone interact. energy: -0.192
local terms energy: -84.012933
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -29.675
flat angles C4'-P-C4' energy: -24.261
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -3.777
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: 4
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -518.003530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.003530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.003530 (E_RNA)
where:
Base-Base interactions energy: -350.538
where: short stacking energy: -154.541
Base-Backbone interact. energy: -0.593
local terms energy: -166.872325
where:
bonds (distance) C4'-P energy: -31.944
bonds (distance) P-C4' energy: -28.592
flat angles C4'-P-C4' energy: -34.329
flat angles P-C4'-P energy: -22.702
tors. eta vs tors. theta energy: -49.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -526.506217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.506217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.506217 (E_RNA)
where:
Base-Base interactions energy: -374.793
where: short stacking energy: -152.668
Base-Backbone interact. energy: -0.301
local terms energy: -151.412115
where:
bonds (distance) C4'-P energy: -24.511
bonds (distance) P-C4' energy: -31.907
flat angles C4'-P-C4' energy: -30.675
flat angles P-C4'-P energy: -23.122
tors. eta vs tors. theta energy: -41.198
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: 8
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -514.958389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.958389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.958389 (E_RNA)
where:
Base-Base interactions energy: -365.246
where: short stacking energy: -155.541
Base-Backbone interact. energy: -0.017
local terms energy: -149.695875
where:
bonds (distance) C4'-P energy: -28.737
bonds (distance) P-C4' energy: -27.536
flat angles C4'-P-C4' energy: -24.288
flat angles P-C4'-P energy: -25.296
tors. eta vs tors. theta energy: -43.838
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: 6
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -502.787804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.787804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.787804 (E_RNA)
where:
Base-Base interactions energy: -358.066
where: short stacking energy: -142.725
Base-Backbone interact. energy: -0.970
local terms energy: -143.751749
where:
bonds (distance) C4'-P energy: -22.119
bonds (distance) P-C4' energy: -29.838
flat angles C4'-P-C4' energy: -26.042
flat angles P-C4'-P energy: -22.847
tors. eta vs tors. theta energy: -42.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -493.589308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.589308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.589308 (E_RNA)
where:
Base-Base interactions energy: -350.075
where: short stacking energy: -142.499
Base-Backbone interact. energy: -0.610
local terms energy: -142.904186
where:
bonds (distance) C4'-P energy: -24.690
bonds (distance) P-C4' energy: -21.200
flat angles C4'-P-C4' energy: -30.582
flat angles P-C4'-P energy: -20.992
tors. eta vs tors. theta energy: -45.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -457.695783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.695783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.695783 (E_RNA)
where:
Base-Base interactions energy: -316.210
where: short stacking energy: -126.983
Base-Backbone interact. energy: -0.354
local terms energy: -141.131539
where:
bonds (distance) C4'-P energy: -24.552
bonds (distance) P-C4' energy: -27.206
flat angles C4'-P-C4' energy: -32.517
flat angles P-C4'-P energy: -19.328
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: 7, replica: 2
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -418.222092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.222092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.222092 (E_RNA)
where:
Base-Base interactions energy: -286.443
where: short stacking energy: -119.444
Base-Backbone interact. energy: -0.385
local terms energy: -131.393868
where:
bonds (distance) C4'-P energy: -21.099
bonds (distance) P-C4' energy: -19.294
flat angles C4'-P-C4' energy: -32.274
flat angles P-C4'-P energy: -21.665
tors. eta vs tors. theta energy: -37.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -343.389108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.389108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.389108 (E_RNA)
where:
Base-Base interactions energy: -225.356
where: short stacking energy: -101.976
Base-Backbone interact. energy: -0.801
local terms energy: -117.231557
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -32.442
flat angles C4'-P-C4' energy: -23.373
flat angles P-C4'-P energy: -16.283
tors. eta vs tors. theta energy: -29.861
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: 9, replica: 1
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -353.871287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.871287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.871287 (E_RNA)
where:
Base-Base interactions energy: -239.895
where: short stacking energy: -86.484
Base-Backbone interact. energy: -0.439
local terms energy: -113.536885
where:
bonds (distance) C4'-P energy: -27.792
bonds (distance) P-C4' energy: -27.344
flat angles C4'-P-C4' energy: -23.669
flat angles P-C4'-P energy: -15.090
tors. eta vs tors. theta energy: -19.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -136.496282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.496282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.496282 (E_RNA)
where:
Base-Base interactions energy: -42.926
where: short stacking energy: -31.312
Base-Backbone interact. energy: -0.675
local terms energy: -92.895017
where:
bonds (distance) C4'-P energy: -24.306
bonds (distance) P-C4' energy: -26.082
flat angles C4'-P-C4' energy: -22.910
flat angles P-C4'-P energy: -21.108
tors. eta vs tors. theta energy: 1.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -521.137994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.137994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.137994 (E_RNA)
where:
Base-Base interactions energy: -355.848
where: short stacking energy: -159.522
Base-Backbone interact. energy: -0.539
local terms energy: -164.751411
where:
bonds (distance) C4'-P energy: -28.399
bonds (distance) P-C4' energy: -31.730
flat angles C4'-P-C4' energy: -32.388
flat angles P-C4'-P energy: -23.170
tors. eta vs tors. theta energy: -49.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -518.256242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.256242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.256242 (E_RNA)
where:
Base-Base interactions energy: -360.385
where: short stacking energy: -145.062
Base-Backbone interact. energy: -0.095
local terms energy: -157.776071
where:
bonds (distance) C4'-P energy: -27.426
bonds (distance) P-C4' energy: -32.520
flat angles C4'-P-C4' energy: -30.596
flat angles P-C4'-P energy: -25.802
tors. eta vs tors. theta energy: -41.432
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: 321
Temperature: 1.000000
Total energy: -521.159057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.159057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.159057 (E_RNA)
where:
Base-Base interactions energy: -372.353
where: short stacking energy: -143.454
Base-Backbone interact. energy: -0.682
local terms energy: -148.123464
where:
bonds (distance) C4'-P energy: -24.184
bonds (distance) P-C4' energy: -30.123
flat angles C4'-P-C4' energy: -30.560
flat angles P-C4'-P energy: -19.777
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: 4, replica: 6
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -510.717536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.717536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.717536 (E_RNA)
where:
Base-Base interactions energy: -363.217
where: short stacking energy: -139.298
Base-Backbone interact. energy: -0.151
local terms energy: -147.350073
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -29.273
flat angles C4'-P-C4' energy: -34.270
flat angles P-C4'-P energy: -22.092
tors. eta vs tors. theta energy: -42.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -507.319238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.319238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.319238 (E_RNA)
where:
Base-Base interactions energy: -369.277
where: short stacking energy: -144.653
Base-Backbone interact. energy: -0.022
local terms energy: -138.019498
where:
bonds (distance) C4'-P energy: -23.300
bonds (distance) P-C4' energy: -27.450
flat angles C4'-P-C4' energy: -27.629
flat angles P-C4'-P energy: -20.871
tors. eta vs tors. theta energy: -38.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -446.513817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.513817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.513817 (E_RNA)
where:
Base-Base interactions energy: -320.568
where: short stacking energy: -127.667
Base-Backbone interact. energy: -0.228
local terms energy: -125.717202
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -19.901
flat angles C4'-P-C4' energy: -31.197
flat angles P-C4'-P energy: -20.176
tors. eta vs tors. theta energy: -35.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -417.502371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.502371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.502371 (E_RNA)
where:
Base-Base interactions energy: -282.597
where: short stacking energy: -122.221
Base-Backbone interact. energy: 3.234
local terms energy: -138.139264
where:
bonds (distance) C4'-P energy: -27.667
bonds (distance) P-C4' energy: -32.249
flat angles C4'-P-C4' energy: -27.300
flat angles P-C4'-P energy: -18.167
tors. eta vs tors. theta energy: -32.756
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: 10
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -329.463760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.463760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.463760 (E_RNA)
where:
Base-Base interactions energy: -214.130
where: short stacking energy: -98.337
Base-Backbone interact. energy: 3.902
local terms energy: -119.235573
where:
bonds (distance) C4'-P energy: -23.133
bonds (distance) P-C4' energy: -28.096
flat angles C4'-P-C4' energy: -29.645
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -25.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -303.922044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.922044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.922044 (E_RNA)
where:
Base-Base interactions energy: -206.408
where: short stacking energy: -89.154
Base-Backbone interact. energy: -0.411
local terms energy: -97.102942
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -27.826
flat angles C4'-P-C4' energy: -28.172
flat angles P-C4'-P energy: -14.779
tors. eta vs tors. theta energy: -14.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -129.358213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.358213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.358213 (E_RNA)
where:
Base-Base interactions energy: -34.856
where: short stacking energy: -31.877
Base-Backbone interact. energy: -0.554
local terms energy: -93.947771
where:
bonds (distance) C4'-P energy: -27.667
bonds (distance) P-C4' energy: -24.127
flat angles C4'-P-C4' energy: -22.214
flat angles P-C4'-P energy: -21.182
tors. eta vs tors. theta energy: 1.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -524.645495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.645495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.645495 (E_RNA)
where:
Base-Base interactions energy: -363.987
where: short stacking energy: -157.221
Base-Backbone interact. energy: -0.221
local terms energy: -160.437666
where:
bonds (distance) C4'-P energy: -31.303
bonds (distance) P-C4' energy: -27.853
flat angles C4'-P-C4' energy: -29.076
flat angles P-C4'-P energy: -23.402
tors. eta vs tors. theta energy: -48.804
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: 7
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -525.091580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.091580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.091580 (E_RNA)
where:
Base-Base interactions energy: -380.345
where: short stacking energy: -151.260
Base-Backbone interact. energy: -0.119
local terms energy: -144.627265
where:
bonds (distance) C4'-P energy: -29.008
bonds (distance) P-C4' energy: -25.800
flat angles C4'-P-C4' energy: -30.952
flat angles P-C4'-P energy: -16.488
tors. eta vs tors. theta energy: -42.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -535.280630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.280630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.280630 (E_RNA)
where:
Base-Base interactions energy: -368.963
where: short stacking energy: -157.059
Base-Backbone interact. energy: -0.207
local terms energy: -166.111145
where:
bonds (distance) C4'-P energy: -32.960
bonds (distance) P-C4' energy: -26.954
flat angles C4'-P-C4' energy: -33.707
flat angles P-C4'-P energy: -23.381
tors. eta vs tors. theta energy: -49.111
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: 322
Temperature: 1.050000
Total energy: -523.369204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.369204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.369204 (E_RNA)
where:
Base-Base interactions energy: -372.944
where: short stacking energy: -152.391
Base-Backbone interact. energy: -0.406
local terms energy: -150.018448
where:
bonds (distance) C4'-P energy: -23.867
bonds (distance) P-C4' energy: -30.552
flat angles C4'-P-C4' energy: -30.835
flat angles P-C4'-P energy: -22.875
tors. eta vs tors. theta energy: -41.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -505.206217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.206217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.206217 (E_RNA)
where:
Base-Base interactions energy: -361.192
where: short stacking energy: -142.217
Base-Backbone interact. energy: 0.272
local terms energy: -144.286045
where:
bonds (distance) C4'-P energy: -23.265
bonds (distance) P-C4' energy: -26.661
flat angles C4'-P-C4' energy: -24.895
flat angles P-C4'-P energy: -25.696
tors. eta vs tors. theta energy: -43.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -443.312411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.312411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.312411 (E_RNA)
where:
Base-Base interactions energy: -297.862
where: short stacking energy: -129.458
Base-Backbone interact. energy: -0.466
local terms energy: -144.985056
where:
bonds (distance) C4'-P energy: -31.112
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -27.811
flat angles P-C4'-P energy: -22.283
tors. eta vs tors. theta energy: -43.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -339.195153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.195153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.195153 (E_RNA)
where:
Base-Base interactions energy: -208.490
where: short stacking energy: -96.901
Base-Backbone interact. energy: -0.292
local terms energy: -130.413781
where:
bonds (distance) C4'-P energy: -26.127
bonds (distance) P-C4' energy: -34.533
flat angles C4'-P-C4' energy: -26.604
flat angles P-C4'-P energy: -18.919
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: 8, replica: 2
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -405.289602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.289602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.289602 (E_RNA)
where:
Base-Base interactions energy: -273.042
where: short stacking energy: -125.712
Base-Backbone interact. energy: -0.120
local terms energy: -132.126941
where:
bonds (distance) C4'-P energy: -28.574
bonds (distance) P-C4' energy: -19.241
flat angles C4'-P-C4' energy: -27.116
flat angles P-C4'-P energy: -23.207
tors. eta vs tors. theta energy: -33.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -305.281835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.281835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.281835 (E_RNA)
where:
Base-Base interactions energy: -189.648
where: short stacking energy: -88.533
Base-Backbone interact. energy: -1.059
local terms energy: -114.575207
where:
bonds (distance) C4'-P energy: -21.542
bonds (distance) P-C4' energy: -27.425
flat angles C4'-P-C4' energy: -28.062
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -26.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -145.817206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.817206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.817206 (E_RNA)
where:
Base-Base interactions energy: -57.697
where: short stacking energy: -49.596
Base-Backbone interact. energy: 1.787
local terms energy: -89.907525
where:
bonds (distance) C4'-P energy: -27.034
bonds (distance) P-C4' energy: -27.004
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -6.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -527.975434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.975434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.975434 (E_RNA)
where:
Base-Base interactions energy: -369.632
where: short stacking energy: -158.892
Base-Backbone interact. energy: -0.333
local terms energy: -158.010561
where:
bonds (distance) C4'-P energy: -28.273
bonds (distance) P-C4' energy: -31.851
flat angles C4'-P-C4' energy: -31.198
flat angles P-C4'-P energy: -19.651
tors. eta vs tors. theta energy: -47.037
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: 8
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -529.058570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.058570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.058570 (E_RNA)
where:
Base-Base interactions energy: -372.239
where: short stacking energy: -155.178
Base-Backbone interact. energy: -0.030
local terms energy: -156.789292
where:
bonds (distance) C4'-P energy: -26.693
bonds (distance) P-C4' energy: -24.397
flat angles C4'-P-C4' energy: -33.560
flat angles P-C4'-P energy: -25.826
tors. eta vs tors. theta energy: -46.313
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: 3, replica: 7
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -527.153363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.153363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.153363 (E_RNA)
where:
Base-Base interactions energy: -372.168
where: short stacking energy: -151.158
Base-Backbone interact. energy: -0.127
local terms energy: -154.857890
where:
bonds (distance) C4'-P energy: -27.170
bonds (distance) P-C4' energy: -29.504
flat angles C4'-P-C4' energy: -30.390
flat angles P-C4'-P energy: -21.599
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: 4, replica: 9
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -522.360818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.360818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.360818 (E_RNA)
where:
Base-Base interactions energy: -373.036
where: short stacking energy: -159.749
Base-Backbone interact. energy: -0.014
local terms energy: -149.310862
where:
bonds (distance) C4'-P energy: -29.190
bonds (distance) P-C4' energy: -25.516
flat angles C4'-P-C4' energy: -30.089
flat angles P-C4'-P energy: -18.764
tors. eta vs tors. theta energy: -45.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -518.364620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.364620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.364620 (E_RNA)
where:
Base-Base interactions energy: -371.198
where: short stacking energy: -147.741
Base-Backbone interact. energy: 0.540
local terms energy: -147.707467
where:
bonds (distance) C4'-P energy: -30.050
bonds (distance) P-C4' energy: -29.043
flat angles C4'-P-C4' energy: -26.038
flat angles P-C4'-P energy: -17.125
tors. eta vs tors. theta energy: -45.451
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: 6, replica: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -447.585925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.585925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.585925 (E_RNA)
where:
Base-Base interactions energy: -317.025
where: short stacking energy: -128.177
Base-Backbone interact. energy: 1.388
local terms energy: -131.948746
where:
bonds (distance) C4'-P energy: -22.190
bonds (distance) P-C4' energy: -23.218
flat angles C4'-P-C4' energy: -28.847
flat angles P-C4'-P energy: -18.986
tors. eta vs tors. theta energy: -38.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -328.746762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.746762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.746762 (E_RNA)
where:
Base-Base interactions energy: -219.295
where: short stacking energy: -91.415
Base-Backbone interact. energy: -0.180
local terms energy: -109.272277
where:
bonds (distance) C4'-P energy: -26.444
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -24.817
flat angles P-C4'-P energy: -21.018
tors. eta vs tors. theta energy: -18.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -397.783185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.783185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.783185 (E_RNA)
where:
Base-Base interactions energy: -266.428
where: short stacking energy: -109.390
Base-Backbone interact. energy: -0.015
local terms energy: -131.340092
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -26.421
flat angles C4'-P-C4' energy: -31.524
flat angles P-C4'-P energy: -18.870
tors. eta vs tors. theta energy: -41.009
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: 1
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -320.182091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.182091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.182091 (E_RNA)
where:
Base-Base interactions energy: -214.743
where: short stacking energy: -85.899
Base-Backbone interact. energy: 0.217
local terms energy: -105.656051
where:
bonds (distance) C4'-P energy: -23.762
bonds (distance) P-C4' energy: -28.635
flat angles C4'-P-C4' energy: -24.827
flat angles P-C4'-P energy: -15.813
tors. eta vs tors. theta energy: -12.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -126.399714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.399714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.399714 (E_RNA)
where:
Base-Base interactions energy: -56.549
where: short stacking energy: -34.595
Base-Backbone interact. energy: 0.316
local terms energy: -70.166678
where:
bonds (distance) C4'-P energy: -29.459
bonds (distance) P-C4' energy: -25.606
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -2.946
tors. eta vs tors. theta energy: 6.274
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: 1, replica: 4
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -531.388526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.388526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.388526 (E_RNA)
where:
Base-Base interactions energy: -377.757
where: short stacking energy: -159.018
Base-Backbone interact. energy: -1.426
local terms energy: -152.205088
where:
bonds (distance) C4'-P energy: -25.799
bonds (distance) P-C4' energy: -21.586
flat angles C4'-P-C4' energy: -33.627
flat angles P-C4'-P energy: -21.796
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: 8
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -533.981941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.981941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.981941 (E_RNA)
where:
Base-Base interactions energy: -374.326
where: short stacking energy: -152.016
Base-Backbone interact. energy: -0.044
local terms energy: -159.612279
where:
bonds (distance) C4'-P energy: -28.553
bonds (distance) P-C4' energy: -28.935
flat angles C4'-P-C4' energy: -33.012
flat angles P-C4'-P energy: -24.223
tors. eta vs tors. theta energy: -44.889
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: 7
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -520.771146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.771146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.771146 (E_RNA)
where:
Base-Base interactions energy: -364.961
where: short stacking energy: -154.151
Base-Backbone interact. energy: -0.724
local terms energy: -155.086519
where:
bonds (distance) C4'-P energy: -27.606
bonds (distance) P-C4' energy: -24.692
flat angles C4'-P-C4' energy: -28.502
flat angles P-C4'-P energy: -24.765
tors. eta vs tors. theta energy: -49.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -512.303754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.303754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.303754 (E_RNA)
where:
Base-Base interactions energy: -363.432
where: short stacking energy: -151.933
Base-Backbone interact. energy: -0.001
local terms energy: -148.871058
where:
bonds (distance) C4'-P energy: -27.091
bonds (distance) P-C4' energy: -27.105
flat angles C4'-P-C4' energy: -28.996
flat angles P-C4'-P energy: -18.443
tors. eta vs tors. theta energy: -47.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -511.088938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.088938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.088938 (E_RNA)
where:
Base-Base interactions energy: -372.580
where: short stacking energy: -153.988
Base-Backbone interact. energy: -0.864
local terms energy: -137.645333
where:
bonds (distance) C4'-P energy: -28.690
bonds (distance) P-C4' energy: -13.816
flat angles C4'-P-C4' energy: -27.918
flat angles P-C4'-P energy: -22.164
tors. eta vs tors. theta energy: -45.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -449.272578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.272578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.272578 (E_RNA)
where:
Base-Base interactions energy: -314.898
where: short stacking energy: -129.876
Base-Backbone interact. energy: 0.210
local terms energy: -134.584447
where:
bonds (distance) C4'-P energy: -25.850
bonds (distance) P-C4' energy: -22.350
flat angles C4'-P-C4' energy: -29.377
flat angles P-C4'-P energy: -18.731
tors. eta vs tors. theta energy: -38.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -435.769177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.769177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.769177 (E_RNA)
where:
Base-Base interactions energy: -290.555
where: short stacking energy: -133.239
Base-Backbone interact. energy: -1.524
local terms energy: -143.690420
where:
bonds (distance) C4'-P energy: -27.194
bonds (distance) P-C4' energy: -29.242
flat angles C4'-P-C4' energy: -27.044
flat angles P-C4'-P energy: -18.681
tors. eta vs tors. theta energy: -41.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -332.925886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.925886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.925886 (E_RNA)
where:
Base-Base interactions energy: -212.928
where: short stacking energy: -99.788
Base-Backbone interact. energy: -0.298
local terms energy: -119.699770
where:
bonds (distance) C4'-P energy: -27.009
bonds (distance) P-C4' energy: -29.531
flat angles C4'-P-C4' energy: -20.262
flat angles P-C4'-P energy: -15.807
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: 1
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -289.382787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.382787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.382787 (E_RNA)
where:
Base-Base interactions energy: -183.605
where: short stacking energy: -78.349
Base-Backbone interact. energy: -1.260
local terms energy: -104.517281
where:
bonds (distance) C4'-P energy: -26.984
bonds (distance) P-C4' energy: -24.276
flat angles C4'-P-C4' energy: -19.158
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -21.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -143.738285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.738285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.738285 (E_RNA)
where:
Base-Base interactions energy: -54.210
where: short stacking energy: -50.912
Base-Backbone interact. energy: -0.101
local terms energy: -89.427636
where:
bonds (distance) C4'-P energy: -23.834
bonds (distance) P-C4' energy: -20.724
flat angles C4'-P-C4' energy: -27.031
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -3.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -530.648685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.648685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.648685 (E_RNA)
where:
Base-Base interactions energy: -376.100
where: short stacking energy: -154.278
Base-Backbone interact. energy: -0.649
local terms energy: -153.900109
where:
bonds (distance) C4'-P energy: -27.568
bonds (distance) P-C4' energy: -26.916
flat angles C4'-P-C4' energy: -33.518
flat angles P-C4'-P energy: -20.597
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: 7
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -521.253960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.253960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.253960 (E_RNA)
where:
Base-Base interactions energy: -366.946
where: short stacking energy: -152.977
Base-Backbone interact. energy: -0.005
local terms energy: -154.303022
where:
bonds (distance) C4'-P energy: -29.577
bonds (distance) P-C4' energy: -25.942
flat angles C4'-P-C4' energy: -31.979
flat angles P-C4'-P energy: -19.616
tors. eta vs tors. theta energy: -47.190
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: 8
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -529.494545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.494545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.494545 (E_RNA)
where:
Base-Base interactions energy: -369.326
where: short stacking energy: -152.858
Base-Backbone interact. energy: -0.637
local terms energy: -159.532097
where:
bonds (distance) C4'-P energy: -29.058
bonds (distance) P-C4' energy: -27.097
flat angles C4'-P-C4' energy: -32.918
flat angles P-C4'-P energy: -20.988
tors. eta vs tors. theta energy: -49.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -503.193004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.193004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.193004 (E_RNA)
where:
Base-Base interactions energy: -360.697
where: short stacking energy: -146.037
Base-Backbone interact. energy: -0.252
local terms energy: -142.243965
where:
bonds (distance) C4'-P energy: -27.443
bonds (distance) P-C4' energy: -27.381
flat angles C4'-P-C4' energy: -24.645
flat angles P-C4'-P energy: -20.057
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: 5, replica: 9
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -495.314856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.314856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.314856 (E_RNA)
where:
Base-Base interactions energy: -357.580
where: short stacking energy: -139.205
Base-Backbone interact. energy: -0.384
local terms energy: -137.351160
where:
bonds (distance) C4'-P energy: -23.789
bonds (distance) P-C4' energy: -26.183
flat angles C4'-P-C4' energy: -33.244
flat angles P-C4'-P energy: -16.521
tors. eta vs tors. theta energy: -37.614
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: 2
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -427.424182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.424182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.424182 (E_RNA)
where:
Base-Base interactions energy: -298.783
where: short stacking energy: -140.134
Base-Backbone interact. energy: -1.023
local terms energy: -127.617934
where:
bonds (distance) C4'-P energy: -20.346
bonds (distance) P-C4' energy: -24.191
flat angles C4'-P-C4' energy: -27.314
flat angles P-C4'-P energy: -18.018
tors. eta vs tors. theta energy: -37.749
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: 3
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -431.317297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.317297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.317297 (E_RNA)
where:
Base-Base interactions energy: -297.440
where: short stacking energy: -115.710
Base-Backbone interact. energy: -0.750
local terms energy: -133.126854
where:
bonds (distance) C4'-P energy: -24.794
bonds (distance) P-C4' energy: -25.409
flat angles C4'-P-C4' energy: -26.210
flat angles P-C4'-P energy: -19.290
tors. eta vs tors. theta energy: -37.424
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: 1
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -321.403583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.403583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.403583 (E_RNA)
where:
Base-Base interactions energy: -215.788
where: short stacking energy: -85.687
Base-Backbone interact. energy: -0.038
local terms energy: -105.576800
where:
bonds (distance) C4'-P energy: -27.407
bonds (distance) P-C4' energy: -22.352
flat angles C4'-P-C4' energy: -19.512
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -23.484
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: 9, replica: 10
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -323.901771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.901771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.901771 (E_RNA)
where:
Base-Base interactions energy: -211.046
where: short stacking energy: -90.113
Base-Backbone interact. energy: -0.968
local terms energy: -111.886977
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -23.371
flat angles C4'-P-C4' energy: -25.787
flat angles P-C4'-P energy: -24.108
tors. eta vs tors. theta energy: -21.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -155.064573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.064573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.064573 (E_RNA)
where:
Base-Base interactions energy: -74.637
where: short stacking energy: -56.678
Base-Backbone interact. energy: -0.578
local terms energy: -79.850313
where:
bonds (distance) C4'-P energy: -19.307
bonds (distance) P-C4' energy: -22.482
flat angles C4'-P-C4' energy: -24.382
flat angles P-C4'-P energy: 0.498
tors. eta vs tors. theta energy: -14.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -534.195883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.195883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.195883 (E_RNA)
where:
Base-Base interactions energy: -373.352
where: short stacking energy: -158.010
Base-Backbone interact. energy: -0.023
local terms energy: -160.820412
where:
bonds (distance) C4'-P energy: -27.175
bonds (distance) P-C4' energy: -30.601
flat angles C4'-P-C4' energy: -30.773
flat angles P-C4'-P energy: -23.481
tors. eta vs tors. theta energy: -48.791
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: 4
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -528.960327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.960327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.960327 (E_RNA)
where:
Base-Base interactions energy: -385.206
where: short stacking energy: -157.238
Base-Backbone interact. energy: -0.989
local terms energy: -142.766079
where:
bonds (distance) C4'-P energy: -26.678
bonds (distance) P-C4' energy: -22.997
flat angles C4'-P-C4' energy: -28.818
flat angles P-C4'-P energy: -21.208
tors. eta vs tors. theta energy: -43.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -516.717091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.717091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.717091 (E_RNA)
where:
Base-Base interactions energy: -356.337
where: short stacking energy: -145.868
Base-Backbone interact. energy: -1.038
local terms energy: -159.342672
where:
bonds (distance) C4'-P energy: -27.394
bonds (distance) P-C4' energy: -29.740
flat angles C4'-P-C4' energy: -32.641
flat angles P-C4'-P energy: -23.652
tors. eta vs tors. theta energy: -45.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -500.502915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.502915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.502915 (E_RNA)
where:
Base-Base interactions energy: -350.798
where: short stacking energy: -147.567
Base-Backbone interact. energy: 1.193
local terms energy: -150.898436
where:
bonds (distance) C4'-P energy: -22.977
bonds (distance) P-C4' energy: -30.339
flat angles C4'-P-C4' energy: -33.358
flat angles P-C4'-P energy: -27.051
tors. eta vs tors. theta energy: -37.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -493.335237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.335237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.335237 (E_RNA)
where:
Base-Base interactions energy: -350.783
where: short stacking energy: -139.383
Base-Backbone interact. energy: -0.436
local terms energy: -142.115900
where:
bonds (distance) C4'-P energy: -25.944
bonds (distance) P-C4' energy: -22.827
flat angles C4'-P-C4' energy: -31.450
flat angles P-C4'-P energy: -24.137
tors. eta vs tors. theta energy: -37.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -450.020344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.020344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.020344 (E_RNA)
where:
Base-Base interactions energy: -305.443
where: short stacking energy: -129.249
Base-Backbone interact. energy: 0.255
local terms energy: -144.832223
where:
bonds (distance) C4'-P energy: -28.293
bonds (distance) P-C4' energy: -30.741
flat angles C4'-P-C4' energy: -29.498
flat angles P-C4'-P energy: -16.286
tors. eta vs tors. theta energy: -40.015
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: 7, replica: 3
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -441.112293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.112293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.112293 (E_RNA)
where:
Base-Base interactions energy: -312.490
where: short stacking energy: -101.942
Base-Backbone interact. energy: -1.325
local terms energy: -127.297417
where:
bonds (distance) C4'-P energy: -29.725
bonds (distance) P-C4' energy: -26.422
flat angles C4'-P-C4' energy: -27.587
flat angles P-C4'-P energy: -17.204
tors. eta vs tors. theta energy: -26.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -359.375739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.375739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.375739 (E_RNA)
where:
Base-Base interactions energy: -237.264
where: short stacking energy: -109.185
Base-Backbone interact. energy: -0.019
local terms energy: -122.093472
where:
bonds (distance) C4'-P energy: -24.264
bonds (distance) P-C4' energy: -24.581
flat angles C4'-P-C4' energy: -28.175
flat angles P-C4'-P energy: -17.509
tors. eta vs tors. theta energy: -27.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -322.490797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.490797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.490797 (E_RNA)
where:
Base-Base interactions energy: -208.578
where: short stacking energy: -91.313
Base-Backbone interact. energy: -0.020
local terms energy: -113.892235
where:
bonds (distance) C4'-P energy: -23.548
bonds (distance) P-C4' energy: -22.642
flat angles C4'-P-C4' energy: -29.286
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -24.384
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: 5
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -136.866512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.866512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.866512 (E_RNA)
where:
Base-Base interactions energy: -56.396
where: short stacking energy: -44.571
Base-Backbone interact. energy: -0.423
local terms energy: -80.047603
where:
bonds (distance) C4'-P energy: -26.583
bonds (distance) P-C4' energy: -24.492
flat angles C4'-P-C4' energy: -18.992
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: 2.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -536.953096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.953096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.953096 (E_RNA)
where:
Base-Base interactions energy: -379.150
where: short stacking energy: -155.008
Base-Backbone interact. energy: -0.139
local terms energy: -157.664464
where:
bonds (distance) C4'-P energy: -26.318
bonds (distance) P-C4' energy: -25.012
flat angles C4'-P-C4' energy: -33.752
flat angles P-C4'-P energy: -26.263
tors. eta vs tors. theta energy: -46.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -527.389731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.389731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.389731 (E_RNA)
where:
Base-Base interactions energy: -376.290
where: short stacking energy: -162.575
Base-Backbone interact. energy: 0.588
local terms energy: -151.688164
where:
bonds (distance) C4'-P energy: -30.031
bonds (distance) P-C4' energy: -24.169
flat angles C4'-P-C4' energy: -28.029
flat angles P-C4'-P energy: -22.791
tors. eta vs tors. theta energy: -46.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -511.518008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.518008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.518008 (E_RNA)
where:
Base-Base interactions energy: -366.467
where: short stacking energy: -154.320
Base-Backbone interact. energy: -0.304
local terms energy: -144.746396
where:
bonds (distance) C4'-P energy: -25.466
bonds (distance) P-C4' energy: -29.314
flat angles C4'-P-C4' energy: -29.545
flat angles P-C4'-P energy: -17.413
tors. eta vs tors. theta energy: -43.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -498.214709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.214709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.214709 (E_RNA)
where:
Base-Base interactions energy: -349.254
where: short stacking energy: -150.749
Base-Backbone interact. energy: -0.259
local terms energy: -148.701664
where:
bonds (distance) C4'-P energy: -26.136
bonds (distance) P-C4' energy: -27.660
flat angles C4'-P-C4' energy: -31.617
flat angles P-C4'-P energy: -20.081
tors. eta vs tors. theta energy: -43.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -497.100919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.100919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.100919 (E_RNA)
where:
Base-Base interactions energy: -352.706
where: short stacking energy: -143.227
Base-Backbone interact. energy: 0.044
local terms energy: -144.439669
where:
bonds (distance) C4'-P energy: -29.465
bonds (distance) P-C4' energy: -27.783
flat angles C4'-P-C4' energy: -26.702
flat angles P-C4'-P energy: -23.674
tors. eta vs tors. theta energy: -36.816
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: 6, replica: 2
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -440.237806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.237806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.237806 (E_RNA)
where:
Base-Base interactions energy: -303.679
where: short stacking energy: -142.937
Base-Backbone interact. energy: -0.195
local terms energy: -136.363817
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -29.890
flat angles C4'-P-C4' energy: -31.710
flat angles P-C4'-P energy: -16.556
tors. eta vs tors. theta energy: -40.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -427.456422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.456422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.456422 (E_RNA)
where:
Base-Base interactions energy: -285.882
where: short stacking energy: -114.380
Base-Backbone interact. energy: -0.727
local terms energy: -140.847919
where:
bonds (distance) C4'-P energy: -26.257
bonds (distance) P-C4' energy: -29.089
flat angles C4'-P-C4' energy: -29.498
flat angles P-C4'-P energy: -19.754
tors. eta vs tors. theta energy: -36.250
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: 8, replica: 10
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -332.961757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.961757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.961757 (E_RNA)
where:
Base-Base interactions energy: -222.005
where: short stacking energy: -98.959
Base-Backbone interact. energy: 0.511
local terms energy: -111.468541
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -25.459
flat angles C4'-P-C4' energy: -25.104
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -30.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -368.392476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.392476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.392476 (E_RNA)
where:
Base-Base interactions energy: -245.583
where: short stacking energy: -107.080
Base-Backbone interact. energy: -0.028
local terms energy: -122.780975
where:
bonds (distance) C4'-P energy: -25.599
bonds (distance) P-C4' energy: -27.079
flat angles C4'-P-C4' energy: -25.504
flat angles P-C4'-P energy: -17.027
tors. eta vs tors. theta energy: -27.571
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: 5
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -155.365560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.365560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.365560 (E_RNA)
where:
Base-Base interactions energy: -77.801
where: short stacking energy: -55.020
Base-Backbone interact. energy: 0.967
local terms energy: -78.532037
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -10.872
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: 8
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -539.227174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.227174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.227174 (E_RNA)
where:
Base-Base interactions energy: -384.126
where: short stacking energy: -149.970
Base-Backbone interact. energy: -0.650
local terms energy: -154.451397
where:
bonds (distance) C4'-P energy: -28.064
bonds (distance) P-C4' energy: -28.144
flat angles C4'-P-C4' energy: -32.678
flat angles P-C4'-P energy: -22.742
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: 7
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -527.759760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.759760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.759760 (E_RNA)
where:
Base-Base interactions energy: -372.082
where: short stacking energy: -150.489
Base-Backbone interact. energy: -0.003
local terms energy: -155.675047
where:
bonds (distance) C4'-P energy: -27.099
bonds (distance) P-C4' energy: -26.871
flat angles C4'-P-C4' energy: -30.090
flat angles P-C4'-P energy: -25.577
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: 3, replica: 9
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -514.951816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.951816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.951816 (E_RNA)
where:
Base-Base interactions energy: -375.900
where: short stacking energy: -140.908
Base-Backbone interact. energy: -0.152
local terms energy: -138.900226
where:
bonds (distance) C4'-P energy: -24.370
bonds (distance) P-C4' energy: -24.377
flat angles C4'-P-C4' energy: -29.906
flat angles P-C4'-P energy: -21.115
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: 4, replica: 4
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -498.729026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.729026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.729026 (E_RNA)
where:
Base-Base interactions energy: -349.624
where: short stacking energy: -141.028
Base-Backbone interact. energy: -0.733
local terms energy: -148.371452
where:
bonds (distance) C4'-P energy: -19.864
bonds (distance) P-C4' energy: -30.992
flat angles C4'-P-C4' energy: -31.661
flat angles P-C4'-P energy: -21.542
tors. eta vs tors. theta energy: -44.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -503.955272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.955272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.955272 (E_RNA)
where:
Base-Base interactions energy: -369.266
where: short stacking energy: -144.421
Base-Backbone interact. energy: -0.147
local terms energy: -134.542141
where:
bonds (distance) C4'-P energy: -20.463
bonds (distance) P-C4' energy: -22.461
flat angles C4'-P-C4' energy: -31.197
flat angles P-C4'-P energy: -20.383
tors. eta vs tors. theta energy: -40.037
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: 2
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -464.393602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.393602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.393602 (E_RNA)
where:
Base-Base interactions energy: -330.070
where: short stacking energy: -151.580
Base-Backbone interact. energy: -0.009
local terms energy: -134.315007
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -27.076
flat angles C4'-P-C4' energy: -28.062
flat angles P-C4'-P energy: -19.060
tors. eta vs tors. theta energy: -41.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -341.506034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.506034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.506034 (E_RNA)
where:
Base-Base interactions energy: -211.321
where: short stacking energy: -96.667
Base-Backbone interact. energy: -0.863
local terms energy: -129.321882
where:
bonds (distance) C4'-P energy: -31.894
bonds (distance) P-C4' energy: -29.369
flat angles C4'-P-C4' energy: -26.153
flat angles P-C4'-P energy: -22.429
tors. eta vs tors. theta energy: -19.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -425.819141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.819141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.819141 (E_RNA)
where:
Base-Base interactions energy: -295.146
where: short stacking energy: -128.802
Base-Backbone interact. energy: -0.140
local terms energy: -130.533020
where:
bonds (distance) C4'-P energy: -28.814
bonds (distance) P-C4' energy: -22.550
flat angles C4'-P-C4' energy: -30.899
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -38.275
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: 1
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -334.007480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.007480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.007480 (E_RNA)
where:
Base-Base interactions energy: -212.535
where: short stacking energy: -87.577
Base-Backbone interact. energy: 0.321
local terms energy: -121.793773
where:
bonds (distance) C4'-P energy: -22.153
bonds (distance) P-C4' energy: -24.622
flat angles C4'-P-C4' energy: -24.344
flat angles P-C4'-P energy: -19.773
tors. eta vs tors. theta energy: -30.902
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: 5
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -164.539359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.539359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.539359 (E_RNA)
where:
Base-Base interactions energy: -70.400
where: short stacking energy: -65.538
Base-Backbone interact. energy: -0.016
local terms energy: -94.123719
where:
bonds (distance) C4'-P energy: -21.784
bonds (distance) P-C4' energy: -26.540
flat angles C4'-P-C4' energy: -21.366
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -14.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -537.459865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.459865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.459865 (E_RNA)
where:
Base-Base interactions energy: -391.971
where: short stacking energy: -152.098
Base-Backbone interact. energy: 0.016
local terms energy: -145.505159
where:
bonds (distance) C4'-P energy: -25.210
bonds (distance) P-C4' energy: -27.124
flat angles C4'-P-C4' energy: -29.040
flat angles P-C4'-P energy: -20.857
tors. eta vs tors. theta energy: -43.275
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: 329
Temperature: 0.950000
Total energy: -521.395803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.395803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.395803 (E_RNA)
where:
Base-Base interactions energy: -378.451
where: short stacking energy: -157.822
Base-Backbone interact. energy: -0.674
local terms energy: -142.270548
where:
bonds (distance) C4'-P energy: -23.851
bonds (distance) P-C4' energy: -27.611
flat angles C4'-P-C4' energy: -25.250
flat angles P-C4'-P energy: -22.053
tors. eta vs tors. theta energy: -43.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -540.957201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.957201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.957201 (E_RNA)
where:
Base-Base interactions energy: -376.919
where: short stacking energy: -158.321
Base-Backbone interact. energy: -0.094
local terms energy: -163.944929
where:
bonds (distance) C4'-P energy: -29.310
bonds (distance) P-C4' energy: -29.904
flat angles C4'-P-C4' energy: -34.538
flat angles P-C4'-P energy: -22.884
tors. eta vs tors. theta energy: -47.309
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: 4, replica: 6
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -517.726087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.726087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.726087 (E_RNA)
where:
Base-Base interactions energy: -368.192
where: short stacking energy: -152.787
Base-Backbone interact. energy: -0.027
local terms energy: -149.507416
where:
bonds (distance) C4'-P energy: -23.943
bonds (distance) P-C4' energy: -20.909
flat angles C4'-P-C4' energy: -30.145
flat angles P-C4'-P energy: -25.872
tors. eta vs tors. theta energy: -48.638
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: 4
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -501.146550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.146550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.146550 (E_RNA)
where:
Base-Base interactions energy: -349.283
where: short stacking energy: -141.130
Base-Backbone interact. energy: -0.044
local terms energy: -151.818749
where:
bonds (distance) C4'-P energy: -25.626
bonds (distance) P-C4' energy: -33.275
flat angles C4'-P-C4' energy: -31.152
flat angles P-C4'-P energy: -19.105
tors. eta vs tors. theta energy: -42.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -415.649836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.649836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.649836 (E_RNA)
where:
Base-Base interactions energy: -277.325
where: short stacking energy: -127.638
Base-Backbone interact. energy: -0.221
local terms energy: -138.104021
where:
bonds (distance) C4'-P energy: -23.930
bonds (distance) P-C4' energy: -27.069
flat angles C4'-P-C4' energy: -24.888
flat angles P-C4'-P energy: -23.599
tors. eta vs tors. theta energy: -38.617
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: 10
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -348.463925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.463925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.463925 (E_RNA)
where:
Base-Base interactions energy: -220.845
where: short stacking energy: -105.122
Base-Backbone interact. energy: 0.145
local terms energy: -127.763959
where:
bonds (distance) C4'-P energy: -26.565
bonds (distance) P-C4' energy: -29.584
flat angles C4'-P-C4' energy: -25.633
flat angles P-C4'-P energy: -20.544
tors. eta vs tors. theta energy: -25.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -417.830763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.830763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.830763 (E_RNA)
where:
Base-Base interactions energy: -290.819
where: short stacking energy: -132.743
Base-Backbone interact. energy: -1.554
local terms energy: -125.458003
where:
bonds (distance) C4'-P energy: -23.504
bonds (distance) P-C4' energy: -24.326
flat angles C4'-P-C4' energy: -23.128
flat angles P-C4'-P energy: -16.319
tors. eta vs tors. theta energy: -38.182
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: 9, replica: 1
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -307.646441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.646441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.646441 (E_RNA)
where:
Base-Base interactions energy: -202.677
where: short stacking energy: -90.139
Base-Backbone interact. energy: 0.165
local terms energy: -105.134215
where:
bonds (distance) C4'-P energy: -23.180
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -28.733
flat angles P-C4'-P energy: -15.877
tors. eta vs tors. theta energy: -17.629
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: 5
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -134.280535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.280535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.280535 (E_RNA)
where:
Base-Base interactions energy: -56.645
where: short stacking energy: -48.626
Base-Backbone interact. energy: 3.673
local terms energy: -81.307792
where:
bonds (distance) C4'-P energy: -21.381
bonds (distance) P-C4' energy: -29.536
flat angles C4'-P-C4' energy: -23.067
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: 2.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -537.388347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.388347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.388347 (E_RNA)
where:
Base-Base interactions energy: -380.625
where: short stacking energy: -150.047
Base-Backbone interact. energy: -0.192
local terms energy: -156.571977
where:
bonds (distance) C4'-P energy: -25.151
bonds (distance) P-C4' energy: -31.672
flat angles C4'-P-C4' energy: -30.682
flat angles P-C4'-P energy: -23.365
tors. eta vs tors. theta energy: -45.702
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: 330
Temperature: 0.950000
Total energy: -536.563714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.563714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.563714 (E_RNA)
where:
Base-Base interactions energy: -376.915
where: short stacking energy: -151.832
Base-Backbone interact. energy: -0.043
local terms energy: -159.605623
where:
bonds (distance) C4'-P energy: -29.423
bonds (distance) P-C4' energy: -29.847
flat angles C4'-P-C4' energy: -31.728
flat angles P-C4'-P energy: -20.158
tors. eta vs tors. theta energy: -48.449
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: 7
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -518.724634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.724634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.724634 (E_RNA)
where:
Base-Base interactions energy: -378.615
where: short stacking energy: -144.604
Base-Backbone interact. energy: -0.011
local terms energy: -140.098216
where:
bonds (distance) C4'-P energy: -21.621
bonds (distance) P-C4' energy: -25.617
flat angles C4'-P-C4' energy: -30.093
flat angles P-C4'-P energy: -24.248
tors. eta vs tors. theta energy: -38.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -521.578848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.578848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.578848 (E_RNA)
where:
Base-Base interactions energy: -365.759
where: short stacking energy: -147.819
Base-Backbone interact. energy: -1.864
local terms energy: -153.956304
where:
bonds (distance) C4'-P energy: -22.629
bonds (distance) P-C4' energy: -29.806
flat angles C4'-P-C4' energy: -29.799
flat angles P-C4'-P energy: -23.885
tors. eta vs tors. theta energy: -47.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -495.705456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.705456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.705456 (E_RNA)
where:
Base-Base interactions energy: -354.270
where: short stacking energy: -145.916
Base-Backbone interact. energy: -0.610
local terms energy: -140.825186
where:
bonds (distance) C4'-P energy: -26.683
bonds (distance) P-C4' energy: -24.752
flat angles C4'-P-C4' energy: -27.877
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -46.188
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: 2
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -425.036550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.036550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.036550 (E_RNA)
where:
Base-Base interactions energy: -288.786
where: short stacking energy: -118.114
Base-Backbone interact. energy: -0.186
local terms energy: -136.064960
where:
bonds (distance) C4'-P energy: -28.135
bonds (distance) P-C4' energy: -27.968
flat angles C4'-P-C4' energy: -28.185
flat angles P-C4'-P energy: -9.006
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: 7, replica: 3
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -426.647839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.647839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.647839 (E_RNA)
where:
Base-Base interactions energy: -299.997
where: short stacking energy: -131.737
Base-Backbone interact. energy: -1.104
local terms energy: -125.547332
where:
bonds (distance) C4'-P energy: -19.544
bonds (distance) P-C4' energy: -26.420
flat angles C4'-P-C4' energy: -29.093
flat angles P-C4'-P energy: -14.414
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: 8, replica: 10
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -338.060831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.060831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.060831 (E_RNA)
where:
Base-Base interactions energy: -220.554
where: short stacking energy: -94.739
Base-Backbone interact. energy: -0.776
local terms energy: -116.730961
where:
bonds (distance) C4'-P energy: -24.527
bonds (distance) P-C4' energy: -22.692
flat angles C4'-P-C4' energy: -21.609
flat angles P-C4'-P energy: -18.760
tors. eta vs tors. theta energy: -29.144
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: 330
Temperature: 1.300000
Total energy: -321.128897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.128897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.128897 (E_RNA)
where:
Base-Base interactions energy: -204.578
where: short stacking energy: -79.216
Base-Backbone interact. energy: 0.123
local terms energy: -116.674353
where:
bonds (distance) C4'-P energy: -23.930
bonds (distance) P-C4' energy: -24.688
flat angles C4'-P-C4' energy: -30.672
flat angles P-C4'-P energy: -17.037
tors. eta vs tors. theta energy: -20.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -123.310751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.310751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.310751 (E_RNA)
where:
Base-Base interactions energy: -39.483
where: short stacking energy: -38.366
Base-Backbone interact. energy: -0.155
local terms energy: -83.672444
where:
bonds (distance) C4'-P energy: -27.072
bonds (distance) P-C4' energy: -25.237
flat angles C4'-P-C4' energy: -18.989
flat angles P-C4'-P energy: -17.836
tors. eta vs tors. theta energy: 5.461
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: 8
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -531.356741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.356741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.356741 (E_RNA)
where:
Base-Base interactions energy: -378.872
where: short stacking energy: -146.133
Base-Backbone interact. energy: -0.033
local terms energy: -152.451175
where:
bonds (distance) C4'-P energy: -23.753
bonds (distance) P-C4' energy: -30.242
flat angles C4'-P-C4' energy: -30.623
flat angles P-C4'-P energy: -23.464
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: 2, replica: 9
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -527.790000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.790000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.790000 (E_RNA)
where:
Base-Base interactions energy: -373.380
where: short stacking energy: -156.156
Base-Backbone interact. energy: -0.002
local terms energy: -154.407682
where:
bonds (distance) C4'-P energy: -26.238
bonds (distance) P-C4' energy: -29.769
flat angles C4'-P-C4' energy: -31.060
flat angles P-C4'-P energy: -22.766
tors. eta vs tors. theta energy: -44.574
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: 7
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -523.027294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.027294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.027294 (E_RNA)
where:
Base-Base interactions energy: -371.449
where: short stacking energy: -163.888
Base-Backbone interact. energy: -0.212
local terms energy: -151.366840
where:
bonds (distance) C4'-P energy: -25.554
bonds (distance) P-C4' energy: -29.991
flat angles C4'-P-C4' energy: -24.970
flat angles P-C4'-P energy: -20.650
tors. eta vs tors. theta energy: -50.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -514.875845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.875845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.875845 (E_RNA)
where:
Base-Base interactions energy: -371.689
where: short stacking energy: -150.733
Base-Backbone interact. energy: -0.368
local terms energy: -142.818862
where:
bonds (distance) C4'-P energy: -23.555
bonds (distance) P-C4' energy: -26.608
flat angles C4'-P-C4' energy: -24.297
flat angles P-C4'-P energy: -21.891
tors. eta vs tors. theta energy: -46.468
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: 5, replica: 4
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -491.005220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.005220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.005220 (E_RNA)
where:
Base-Base interactions energy: -341.597
where: short stacking energy: -139.653
Base-Backbone interact. energy: -1.129
local terms energy: -148.278595
where:
bonds (distance) C4'-P energy: -30.140
bonds (distance) P-C4' energy: -25.964
flat angles C4'-P-C4' energy: -29.807
flat angles P-C4'-P energy: -18.922
tors. eta vs tors. theta energy: -43.444
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: 3
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -466.841091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.841091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.841091 (E_RNA)
where:
Base-Base interactions energy: -313.248
where: short stacking energy: -136.060
Base-Backbone interact. energy: -0.289
local terms energy: -153.304403
where:
bonds (distance) C4'-P energy: -28.643
bonds (distance) P-C4' energy: -26.635
flat angles C4'-P-C4' energy: -33.567
flat angles P-C4'-P energy: -23.692
tors. eta vs tors. theta energy: -40.768
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: 7, replica: 2
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -410.892534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.892534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.892534 (E_RNA)
where:
Base-Base interactions energy: -283.226
where: short stacking energy: -118.321
Base-Backbone interact. energy: -0.389
local terms energy: -127.277471
where:
bonds (distance) C4'-P energy: -21.874
bonds (distance) P-C4' energy: -29.679
flat angles C4'-P-C4' energy: -25.056
flat angles P-C4'-P energy: -15.193
tors. eta vs tors. theta energy: -35.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -337.683420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.683420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.683420 (E_RNA)
where:
Base-Base interactions energy: -228.086
where: short stacking energy: -104.650
Base-Backbone interact. energy: 2.324
local terms energy: -111.921973
where:
bonds (distance) C4'-P energy: -21.505
bonds (distance) P-C4' energy: -19.061
flat angles C4'-P-C4' energy: -28.810
flat angles P-C4'-P energy: -15.199
tors. eta vs tors. theta energy: -27.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -342.067153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.067153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.067153 (E_RNA)
where:
Base-Base interactions energy: -229.065
where: short stacking energy: -104.222
Base-Backbone interact. energy: -0.510
local terms energy: -112.491910
where:
bonds (distance) C4'-P energy: -26.501
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -30.601
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -24.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -135.170636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.170636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.170636 (E_RNA)
where:
Base-Base interactions energy: -45.433
where: short stacking energy: -45.433
Base-Backbone interact. energy: -0.169
local terms energy: -89.568342
where:
bonds (distance) C4'-P energy: -25.354
bonds (distance) P-C4' energy: -24.458
flat angles C4'-P-C4' energy: -21.347
flat angles P-C4'-P energy: -15.716
tors. eta vs tors. theta energy: -2.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -530.830813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.830813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.830813 (E_RNA)
where:
Base-Base interactions energy: -380.969
where: short stacking energy: -153.384
Base-Backbone interact. energy: -0.968
local terms energy: -148.893397
where:
bonds (distance) C4'-P energy: -23.862
bonds (distance) P-C4' energy: -29.170
flat angles C4'-P-C4' energy: -28.592
flat angles P-C4'-P energy: -21.956
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: 2, replica: 8
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -528.216262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.216262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.216262 (E_RNA)
where:
Base-Base interactions energy: -375.276
where: short stacking energy: -149.151
Base-Backbone interact. energy: -0.885
local terms energy: -152.055618
where:
bonds (distance) C4'-P energy: -28.041
bonds (distance) P-C4' energy: -27.748
flat angles C4'-P-C4' energy: -30.311
flat angles P-C4'-P energy: -21.919
tors. eta vs tors. theta energy: -44.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -523.775084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.775084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.775084 (E_RNA)
where:
Base-Base interactions energy: -368.211
where: short stacking energy: -156.283
Base-Backbone interact. energy: -0.167
local terms energy: -155.397480
where:
bonds (distance) C4'-P energy: -26.773
bonds (distance) P-C4' energy: -28.701
flat angles C4'-P-C4' energy: -30.685
flat angles P-C4'-P energy: -21.960
tors. eta vs tors. theta energy: -47.279
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: 7
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -505.189307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.189307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.189307 (E_RNA)
where:
Base-Base interactions energy: -362.369
where: short stacking energy: -143.108
Base-Backbone interact. energy: 1.166
local terms energy: -143.986507
where:
bonds (distance) C4'-P energy: -24.282
bonds (distance) P-C4' energy: -25.684
flat angles C4'-P-C4' energy: -27.775
flat angles P-C4'-P energy: -21.684
tors. eta vs tors. theta energy: -44.561
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: 332
Temperature: 1.100000
Total energy: -455.988684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.988684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.988684 (E_RNA)
where:
Base-Base interactions energy: -324.179
where: short stacking energy: -143.439
Base-Backbone interact. energy: 1.374
local terms energy: -133.183493
where:
bonds (distance) C4'-P energy: -24.408
bonds (distance) P-C4' energy: -25.095
flat angles C4'-P-C4' energy: -29.503
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: -40.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -457.051646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.051646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.051646 (E_RNA)
where:
Base-Base interactions energy: -319.222
where: short stacking energy: -144.571
Base-Backbone interact. energy: -0.363
local terms energy: -137.467447
where:
bonds (distance) C4'-P energy: -22.310
bonds (distance) P-C4' energy: -25.779
flat angles C4'-P-C4' energy: -28.469
flat angles P-C4'-P energy: -18.795
tors. eta vs tors. theta energy: -42.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -424.562656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.562656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.562656 (E_RNA)
where:
Base-Base interactions energy: -294.452
where: short stacking energy: -119.797
Base-Backbone interact. energy: -0.215
local terms energy: -129.896007
where:
bonds (distance) C4'-P energy: -21.921
bonds (distance) P-C4' energy: -25.907
flat angles C4'-P-C4' energy: -29.007
flat angles P-C4'-P energy: -20.522
tors. eta vs tors. theta energy: -32.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -354.352294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.352294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.352294 (E_RNA)
where:
Base-Base interactions energy: -257.426
where: short stacking energy: -98.821
Base-Backbone interact. energy: 1.572
local terms energy: -98.497747
where:
bonds (distance) C4'-P energy: -20.157
bonds (distance) P-C4' energy: -23.173
flat angles C4'-P-C4' energy: -20.308
flat angles P-C4'-P energy: -14.592
tors. eta vs tors. theta energy: -20.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -319.957927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.957927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.957927 (E_RNA)
where:
Base-Base interactions energy: -204.121
where: short stacking energy: -91.619
Base-Backbone interact. energy: -0.353
local terms energy: -115.484137
where:
bonds (distance) C4'-P energy: -21.938
bonds (distance) P-C4' energy: -28.479
flat angles C4'-P-C4' energy: -24.662
flat angles P-C4'-P energy: -14.866
tors. eta vs tors. theta energy: -25.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -126.322942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.322942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.322942 (E_RNA)
where:
Base-Base interactions energy: -43.650
where: short stacking energy: -35.569
Base-Backbone interact. energy: -0.859
local terms energy: -81.813982
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -25.785
flat angles C4'-P-C4' energy: -22.754
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: 4.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -534.418935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.418935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.418935 (E_RNA)
where:
Base-Base interactions energy: -379.766
where: short stacking energy: -155.929
Base-Backbone interact. energy: -0.426
local terms energy: -154.226889
where:
bonds (distance) C4'-P energy: -21.696
bonds (distance) P-C4' energy: -28.457
flat angles C4'-P-C4' energy: -30.576
flat angles P-C4'-P energy: -25.209
tors. eta vs tors. theta energy: -48.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -530.732686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.732686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.732686 (E_RNA)
where:
Base-Base interactions energy: -380.158
where: short stacking energy: -155.314
Base-Backbone interact. energy: -0.015
local terms energy: -150.560355
where:
bonds (distance) C4'-P energy: -25.236
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -33.180
flat angles P-C4'-P energy: -21.797
tors. eta vs tors. theta energy: -47.698
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: 8
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -517.414904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.414904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.414904 (E_RNA)
where:
Base-Base interactions energy: -362.293
where: short stacking energy: -154.380
Base-Backbone interact. energy: -0.635
local terms energy: -154.486422
where:
bonds (distance) C4'-P energy: -20.302
bonds (distance) P-C4' energy: -32.852
flat angles C4'-P-C4' energy: -33.655
flat angles P-C4'-P energy: -19.966
tors. eta vs tors. theta energy: -47.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -512.683446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.683446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.683446 (E_RNA)
where:
Base-Base interactions energy: -365.710
where: short stacking energy: -149.934
Base-Backbone interact. energy: -0.315
local terms energy: -146.658900
where:
bonds (distance) C4'-P energy: -27.601
bonds (distance) P-C4' energy: -24.613
flat angles C4'-P-C4' energy: -28.265
flat angles P-C4'-P energy: -20.504
tors. eta vs tors. theta energy: -45.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -446.127634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.127634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.127634 (E_RNA)
where:
Base-Base interactions energy: -298.377
where: short stacking energy: -127.988
Base-Backbone interact. energy: -1.587
local terms energy: -146.163886
where:
bonds (distance) C4'-P energy: -31.480
bonds (distance) P-C4' energy: -27.840
flat angles C4'-P-C4' energy: -27.716
flat angles P-C4'-P energy: -20.060
tors. eta vs tors. theta energy: -39.068
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: 4
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -462.693709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.693709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.693709 (E_RNA)
where:
Base-Base interactions energy: -321.036
where: short stacking energy: -139.780
Base-Backbone interact. energy: -0.968
local terms energy: -140.689652
where:
bonds (distance) C4'-P energy: -24.178
bonds (distance) P-C4' energy: -22.033
flat angles C4'-P-C4' energy: -27.967
flat angles P-C4'-P energy: -26.066
tors. eta vs tors. theta energy: -40.447
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: 2
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -421.537112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.537112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.537112 (E_RNA)
where:
Base-Base interactions energy: -284.050
where: short stacking energy: -125.908
Base-Backbone interact. energy: -0.267
local terms energy: -137.219704
where:
bonds (distance) C4'-P energy: -27.245
bonds (distance) P-C4' energy: -24.849
flat angles C4'-P-C4' energy: -26.362
flat angles P-C4'-P energy: -23.170
tors. eta vs tors. theta energy: -35.593
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: 1
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -352.018881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.018881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.018881 (E_RNA)
where:
Base-Base interactions energy: -252.039
where: short stacking energy: -91.480
Base-Backbone interact. energy: -0.377
local terms energy: -99.603272
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -27.100
flat angles C4'-P-C4' energy: -22.125
flat angles P-C4'-P energy: -21.145
tors. eta vs tors. theta energy: -15.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -325.604126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.604126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.604126 (E_RNA)
where:
Base-Base interactions energy: -213.625
where: short stacking energy: -102.288
Base-Backbone interact. energy: -0.566
local terms energy: -111.413249
where:
bonds (distance) C4'-P energy: -29.447
bonds (distance) P-C4' energy: -21.994
flat angles C4'-P-C4' energy: -25.513
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -21.652
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: 5
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -145.723027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.723027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.723027 (E_RNA)
where:
Base-Base interactions energy: -43.694
where: short stacking energy: -41.810
Base-Backbone interact. energy: -0.268
local terms energy: -101.761409
where:
bonds (distance) C4'-P energy: -26.884
bonds (distance) P-C4' energy: -28.739
flat angles C4'-P-C4' energy: -23.241
flat angles P-C4'-P energy: -16.104
tors. eta vs tors. theta energy: -6.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -538.613026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.613026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.613026 (E_RNA)
where:
Base-Base interactions energy: -381.610
where: short stacking energy: -153.529
Base-Backbone interact. energy: -0.693
local terms energy: -156.309852
where:
bonds (distance) C4'-P energy: -25.159
bonds (distance) P-C4' energy: -32.309
flat angles C4'-P-C4' energy: -31.836
flat angles P-C4'-P energy: -22.255
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: 6
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -516.539309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.539309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.539309 (E_RNA)
where:
Base-Base interactions energy: -369.318
where: short stacking energy: -149.642
Base-Backbone interact. energy: -0.164
local terms energy: -147.056881
where:
bonds (distance) C4'-P energy: -25.037
bonds (distance) P-C4' energy: -25.081
flat angles C4'-P-C4' energy: -30.671
flat angles P-C4'-P energy: -19.202
tors. eta vs tors. theta energy: -47.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -520.390429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.390429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.390429 (E_RNA)
where:
Base-Base interactions energy: -367.612
where: short stacking energy: -153.375
Base-Backbone interact. energy: -0.217
local terms energy: -152.560890
where:
bonds (distance) C4'-P energy: -27.319
bonds (distance) P-C4' energy: -30.678
flat angles C4'-P-C4' energy: -26.337
flat angles P-C4'-P energy: -20.558
tors. eta vs tors. theta energy: -47.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -507.699534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.699534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.699534 (E_RNA)
where:
Base-Base interactions energy: -357.725
where: short stacking energy: -161.093
Base-Backbone interact. energy: -0.212
local terms energy: -149.762477
where:
bonds (distance) C4'-P energy: -19.823
bonds (distance) P-C4' energy: -26.167
flat angles C4'-P-C4' energy: -32.876
flat angles P-C4'-P energy: -22.762
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: 5, replica: 4
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -476.517147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.517147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.517147 (E_RNA)
where:
Base-Base interactions energy: -338.645
where: short stacking energy: -150.351
Base-Backbone interact. energy: -0.111
local terms energy: -137.761313
where:
bonds (distance) C4'-P energy: -29.101
bonds (distance) P-C4' energy: -26.112
flat angles C4'-P-C4' energy: -27.477
flat angles P-C4'-P energy: -17.779
tors. eta vs tors. theta energy: -37.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -459.508276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.508276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.508276 (E_RNA)
where:
Base-Base interactions energy: -318.287
where: short stacking energy: -128.767
Base-Backbone interact. energy: -1.183
local terms energy: -140.038629
where:
bonds (distance) C4'-P energy: -21.851
bonds (distance) P-C4' energy: -30.330
flat angles C4'-P-C4' energy: -30.713
flat angles P-C4'-P energy: -17.060
tors. eta vs tors. theta energy: -40.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -391.013677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.013677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.013677 (E_RNA)
where:
Base-Base interactions energy: -263.794
where: short stacking energy: -108.693
Base-Backbone interact. energy: -0.361
local terms energy: -126.857997
where:
bonds (distance) C4'-P energy: -26.186
bonds (distance) P-C4' energy: -24.987
flat angles C4'-P-C4' energy: -24.725
flat angles P-C4'-P energy: -18.511
tors. eta vs tors. theta energy: -32.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -391.164588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.164588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.164588 (E_RNA)
where:
Base-Base interactions energy: -259.299
where: short stacking energy: -112.486
Base-Backbone interact. energy: 0.373
local terms energy: -132.238949
where:
bonds (distance) C4'-P energy: -27.223
bonds (distance) P-C4' energy: -29.916
flat angles C4'-P-C4' energy: -25.880
flat angles P-C4'-P energy: -19.105
tors. eta vs tors. theta energy: -30.115
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: 10
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -337.388023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.388023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.388023 (E_RNA)
where:
Base-Base interactions energy: -229.630
where: short stacking energy: -104.702
Base-Backbone interact. energy: -0.343
local terms energy: -107.414978
where:
bonds (distance) C4'-P energy: -26.719
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -22.462
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -28.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -138.634452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.634452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.634452 (E_RNA)
where:
Base-Base interactions energy: -58.295
where: short stacking energy: -53.111
Base-Backbone interact. energy: -0.147
local terms energy: -80.192391
where:
bonds (distance) C4'-P energy: -21.262
bonds (distance) P-C4' energy: -27.187
flat angles C4'-P-C4' energy: -20.496
flat angles P-C4'-P energy: -2.947
tors. eta vs tors. theta energy: -8.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -539.134669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.134669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.134669 (E_RNA)
where:
Base-Base interactions energy: -389.248
where: short stacking energy: -154.283
Base-Backbone interact. energy: -0.009
local terms energy: -149.877495
where:
bonds (distance) C4'-P energy: -28.577
bonds (distance) P-C4' energy: -30.259
flat angles C4'-P-C4' energy: -28.335
flat angles P-C4'-P energy: -17.307
tors. eta vs tors. theta energy: -45.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -518.118792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.118792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.118792 (E_RNA)
where:
Base-Base interactions energy: -380.177
where: short stacking energy: -149.029
Base-Backbone interact. energy: -0.592
local terms energy: -137.349509
where:
bonds (distance) C4'-P energy: -25.070
bonds (distance) P-C4' energy: -23.750
flat angles C4'-P-C4' energy: -29.350
flat angles P-C4'-P energy: -19.682
tors. eta vs tors. theta energy: -39.497
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: 335
Temperature: 1.000000
Total energy: -515.788802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.788802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.788802 (E_RNA)
where:
Base-Base interactions energy: -362.872
where: short stacking energy: -151.658
Base-Backbone interact. energy: -0.512
local terms energy: -152.404918
where:
bonds (distance) C4'-P energy: -27.292
bonds (distance) P-C4' energy: -25.362
flat angles C4'-P-C4' energy: -31.252
flat angles P-C4'-P energy: -20.555
tors. eta vs tors. theta energy: -47.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -493.900728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.900728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.900728 (E_RNA)
where:
Base-Base interactions energy: -340.188
where: short stacking energy: -139.536
Base-Backbone interact. energy: -0.440
local terms energy: -153.272985
where:
bonds (distance) C4'-P energy: -23.632
bonds (distance) P-C4' energy: -28.966
flat angles C4'-P-C4' energy: -29.684
flat angles P-C4'-P energy: -25.918
tors. eta vs tors. theta energy: -45.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -508.420465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.420465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.420465 (E_RNA)
where:
Base-Base interactions energy: -364.796
where: short stacking energy: -145.414
Base-Backbone interact. energy: -0.083
local terms energy: -143.541341
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -25.052
flat angles C4'-P-C4' energy: -30.189
flat angles P-C4'-P energy: -17.482
tors. eta vs tors. theta energy: -48.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -433.451077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.451077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.451077 (E_RNA)
where:
Base-Base interactions energy: -294.898
where: short stacking energy: -136.935
Base-Backbone interact. energy: -0.013
local terms energy: -138.540007
where:
bonds (distance) C4'-P energy: -23.192
bonds (distance) P-C4' energy: -28.466
flat angles C4'-P-C4' energy: -29.147
flat angles P-C4'-P energy: -18.878
tors. eta vs tors. theta energy: -38.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -401.317158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.317158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.317158 (E_RNA)
where:
Base-Base interactions energy: -272.042
where: short stacking energy: -115.567
Base-Backbone interact. energy: -0.462
local terms energy: -128.813279
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -29.711
flat angles C4'-P-C4' energy: -31.414
flat angles P-C4'-P energy: -17.123
tors. eta vs tors. theta energy: -31.746
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: 8, replica: 2
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -392.089922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.089922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.089922 (E_RNA)
where:
Base-Base interactions energy: -269.189
where: short stacking energy: -124.613
Base-Backbone interact. energy: -0.365
local terms energy: -122.536297
where:
bonds (distance) C4'-P energy: -24.490
bonds (distance) P-C4' energy: -20.522
flat angles C4'-P-C4' energy: -30.428
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -36.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -289.591178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.591178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.591178 (E_RNA)
where:
Base-Base interactions energy: -185.178
where: short stacking energy: -87.166
Base-Backbone interact. energy: -0.347
local terms energy: -104.065995
where:
bonds (distance) C4'-P energy: -23.052
bonds (distance) P-C4' energy: -27.274
flat angles C4'-P-C4' energy: -23.978
flat angles P-C4'-P energy: -14.967
tors. eta vs tors. theta energy: -14.795
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: 5
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -128.832754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.832754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.832754 (E_RNA)
where:
Base-Base interactions energy: -47.663
where: short stacking energy: -47.663
Base-Backbone interact. energy: -0.198
local terms energy: -80.971562
where:
bonds (distance) C4'-P energy: -24.181
bonds (distance) P-C4' energy: -21.698
flat angles C4'-P-C4' energy: -19.888
flat angles P-C4'-P energy: -16.099
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: 1, replica: 9
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -531.584085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.584085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.584085 (E_RNA)
where:
Base-Base interactions energy: -385.010
where: short stacking energy: -155.496
Base-Backbone interact. energy: -0.896
local terms energy: -145.678416
where:
bonds (distance) C4'-P energy: -25.100
bonds (distance) P-C4' energy: -24.993
flat angles C4'-P-C4' energy: -27.781
flat angles P-C4'-P energy: -20.940
tors. eta vs tors. theta energy: -46.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -517.593182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.593182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.593182 (E_RNA)
where:
Base-Base interactions energy: -373.216
where: short stacking energy: -154.494
Base-Backbone interact. energy: -0.156
local terms energy: -144.221076
where:
bonds (distance) C4'-P energy: -28.247
bonds (distance) P-C4' energy: -26.322
flat angles C4'-P-C4' energy: -28.441
flat angles P-C4'-P energy: -20.080
tors. eta vs tors. theta energy: -41.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -520.365089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.365089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.365089 (E_RNA)
where:
Base-Base interactions energy: -369.234
where: short stacking energy: -157.317
Base-Backbone interact. energy: -0.088
local terms energy: -151.042589
where:
bonds (distance) C4'-P energy: -25.786
bonds (distance) P-C4' energy: -29.472
flat angles C4'-P-C4' energy: -28.600
flat angles P-C4'-P energy: -19.376
tors. eta vs tors. theta energy: -47.809
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: 4, replica: 4
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -492.470469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.470469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.470469 (E_RNA)
where:
Base-Base interactions energy: -345.015
where: short stacking energy: -145.247
Base-Backbone interact. energy: 0.607
local terms energy: -148.061601
where:
bonds (distance) C4'-P energy: -30.415
bonds (distance) P-C4' energy: -26.480
flat angles C4'-P-C4' energy: -29.019
flat angles P-C4'-P energy: -19.998
tors. eta vs tors. theta energy: -42.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -509.810800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.810800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.810800 (E_RNA)
where:
Base-Base interactions energy: -359.122
where: short stacking energy: -143.512
Base-Backbone interact. energy: -0.778
local terms energy: -149.910686
where:
bonds (distance) C4'-P energy: -23.148
bonds (distance) P-C4' energy: -30.128
flat angles C4'-P-C4' energy: -31.464
flat angles P-C4'-P energy: -22.378
tors. eta vs tors. theta energy: -42.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -432.692476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.692476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.692476 (E_RNA)
where:
Base-Base interactions energy: -302.271
where: short stacking energy: -130.197
Base-Backbone interact. energy: -0.581
local terms energy: -129.840520
where:
bonds (distance) C4'-P energy: -22.750
bonds (distance) P-C4' energy: -19.308
flat angles C4'-P-C4' energy: -28.850
flat angles P-C4'-P energy: -22.582
tors. eta vs tors. theta energy: -36.350
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: 2
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -432.022018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.022018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.022018 (E_RNA)
where:
Base-Base interactions energy: -294.340
where: short stacking energy: -135.591
Base-Backbone interact. energy: -0.081
local terms energy: -137.601234
where:
bonds (distance) C4'-P energy: -20.565
bonds (distance) P-C4' energy: -31.090
flat angles C4'-P-C4' energy: -28.278
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -42.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -407.861945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.861945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.861945 (E_RNA)
where:
Base-Base interactions energy: -282.888
where: short stacking energy: -123.724
Base-Backbone interact. energy: 0.990
local terms energy: -125.964084
where:
bonds (distance) C4'-P energy: -22.613
bonds (distance) P-C4' energy: -23.664
flat angles C4'-P-C4' energy: -27.977
flat angles P-C4'-P energy: -17.731
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: 9, replica: 10
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -298.823045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.823045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.823045 (E_RNA)
where:
Base-Base interactions energy: -190.837
where: short stacking energy: -91.896
Base-Backbone interact. energy: -0.220
local terms energy: -107.765449
where:
bonds (distance) C4'-P energy: -18.469
bonds (distance) P-C4' energy: -27.798
flat angles C4'-P-C4' energy: -26.711
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -21.927
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: 5
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -123.080102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.080102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.080102 (E_RNA)
where:
Base-Base interactions energy: -37.869
where: short stacking energy: -38.522
Base-Backbone interact. energy: -0.353
local terms energy: -84.857526
where:
bonds (distance) C4'-P energy: -20.179
bonds (distance) P-C4' energy: -32.624
flat angles C4'-P-C4' energy: -23.431
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: 3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -528.255484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.255484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.255484 (E_RNA)
where:
Base-Base interactions energy: -370.185
where: short stacking energy: -154.052
Base-Backbone interact. energy: -0.862
local terms energy: -157.208700
where:
bonds (distance) C4'-P energy: -27.411
bonds (distance) P-C4' energy: -30.306
flat angles C4'-P-C4' energy: -31.164
flat angles P-C4'-P energy: -22.390
tors. eta vs tors. theta energy: -45.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -523.182873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.182873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.182873 (E_RNA)
where:
Base-Base interactions energy: -384.601
where: short stacking energy: -151.831
Base-Backbone interact. energy: -0.137
local terms energy: -138.444749
where:
bonds (distance) C4'-P energy: -24.735
bonds (distance) P-C4' energy: -28.150
flat angles C4'-P-C4' energy: -25.826
flat angles P-C4'-P energy: -18.298
tors. eta vs tors. theta energy: -41.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -530.767396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.767396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.767396 (E_RNA)
where:
Base-Base interactions energy: -358.841
where: short stacking energy: -156.607
Base-Backbone interact. energy: -0.500
local terms energy: -171.427153
where:
bonds (distance) C4'-P energy: -31.748
bonds (distance) P-C4' energy: -32.434
flat angles C4'-P-C4' energy: -33.239
flat angles P-C4'-P energy: -25.449
tors. eta vs tors. theta energy: -48.556
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: 8
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -506.753123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.753123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.753123 (E_RNA)
where:
Base-Base interactions energy: -360.905
where: short stacking energy: -152.724
Base-Backbone interact. energy: -0.374
local terms energy: -145.473488
where:
bonds (distance) C4'-P energy: -25.803
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -30.447
flat angles P-C4'-P energy: -21.668
tors. eta vs tors. theta energy: -45.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -480.744566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.744566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.744566 (E_RNA)
where:
Base-Base interactions energy: -343.800
where: short stacking energy: -142.648
Base-Backbone interact. energy: -0.220
local terms energy: -136.724291
where:
bonds (distance) C4'-P energy: -18.637
bonds (distance) P-C4' energy: -23.623
flat angles C4'-P-C4' energy: -31.903
flat angles P-C4'-P energy: -18.140
tors. eta vs tors. theta energy: -44.421
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: 2
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -426.403014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.403014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.403014 (E_RNA)
where:
Base-Base interactions energy: -285.497
where: short stacking energy: -136.029
Base-Backbone interact. energy: 0.512
local terms energy: -141.417659
where:
bonds (distance) C4'-P energy: -27.270
bonds (distance) P-C4' energy: -26.884
flat angles C4'-P-C4' energy: -30.999
flat angles P-C4'-P energy: -17.547
tors. eta vs tors. theta energy: -38.718
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: 337
Temperature: 1.200000
Total energy: -420.157801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.157801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.157801 (E_RNA)
where:
Base-Base interactions energy: -295.793
where: short stacking energy: -132.802
Base-Backbone interact. energy: -0.024
local terms energy: -124.340714
where:
bonds (distance) C4'-P energy: -28.565
bonds (distance) P-C4' energy: -22.471
flat angles C4'-P-C4' energy: -22.443
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -37.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -358.945431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.945431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.945431 (E_RNA)
where:
Base-Base interactions energy: -240.791
where: short stacking energy: -93.978
Base-Backbone interact. energy: -0.418
local terms energy: -117.736206
where:
bonds (distance) C4'-P energy: -28.135
bonds (distance) P-C4' energy: -26.083
flat angles C4'-P-C4' energy: -22.288
flat angles P-C4'-P energy: -20.829
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: 9, replica: 10
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -333.654409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.654409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.654409 (E_RNA)
where:
Base-Base interactions energy: -213.719
where: short stacking energy: -76.520
Base-Backbone interact. energy: -0.812
local terms energy: -119.123685
where:
bonds (distance) C4'-P energy: -25.796
bonds (distance) P-C4' energy: -26.927
flat angles C4'-P-C4' energy: -25.240
flat angles P-C4'-P energy: -16.747
tors. eta vs tors. theta energy: -24.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -143.247770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.247770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.247770 (E_RNA)
where:
Base-Base interactions energy: -59.234
where: short stacking energy: -51.659
Base-Backbone interact. energy: -0.088
local terms energy: -83.926095
where:
bonds (distance) C4'-P energy: -19.166
bonds (distance) P-C4' energy: -23.024
flat angles C4'-P-C4' energy: -22.615
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -8.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -536.391203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.391203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.391203 (E_RNA)
where:
Base-Base interactions energy: -381.439
where: short stacking energy: -158.127
Base-Backbone interact. energy: -0.105
local terms energy: -154.846927
where:
bonds (distance) C4'-P energy: -26.529
bonds (distance) P-C4' energy: -27.763
flat angles C4'-P-C4' energy: -28.564
flat angles P-C4'-P energy: -24.844
tors. eta vs tors. theta energy: -47.147
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: 9
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -523.940467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.940467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.940467 (E_RNA)
where:
Base-Base interactions energy: -364.850
where: short stacking energy: -146.194
Base-Backbone interact. energy: -0.728
local terms energy: -158.362501
where:
bonds (distance) C4'-P energy: -25.647
bonds (distance) P-C4' energy: -29.922
flat angles C4'-P-C4' energy: -33.035
flat angles P-C4'-P energy: -23.507
tors. eta vs tors. theta energy: -46.251
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: 6
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -514.008826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.008826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.008826 (E_RNA)
where:
Base-Base interactions energy: -366.249
where: short stacking energy: -155.840
Base-Backbone interact. energy: -0.219
local terms energy: -147.541115
where:
bonds (distance) C4'-P energy: -24.781
bonds (distance) P-C4' energy: -25.283
flat angles C4'-P-C4' energy: -28.574
flat angles P-C4'-P energy: -21.527
tors. eta vs tors. theta energy: -47.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -517.816397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.816397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.816397 (E_RNA)
where:
Base-Base interactions energy: -371.025
where: short stacking energy: -156.608
Base-Backbone interact. energy: -0.638
local terms energy: -146.153317
where:
bonds (distance) C4'-P energy: -26.355
bonds (distance) P-C4' energy: -26.985
flat angles C4'-P-C4' energy: -26.954
flat angles P-C4'-P energy: -18.096
tors. eta vs tors. theta energy: -47.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -484.802641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.802641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.802641 (E_RNA)
where:
Base-Base interactions energy: -340.291
where: short stacking energy: -139.590
Base-Backbone interact. energy: -0.166
local terms energy: -144.346077
where:
bonds (distance) C4'-P energy: -25.546
bonds (distance) P-C4' energy: -27.147
flat angles C4'-P-C4' energy: -29.468
flat angles P-C4'-P energy: -16.409
tors. eta vs tors. theta energy: -45.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -440.981265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.981265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.981265 (E_RNA)
where:
Base-Base interactions energy: -302.935
where: short stacking energy: -132.047
Base-Backbone interact. energy: -0.379
local terms energy: -137.666970
where:
bonds (distance) C4'-P energy: -25.530
bonds (distance) P-C4' energy: -27.238
flat angles C4'-P-C4' energy: -27.395
flat angles P-C4'-P energy: -22.409
tors. eta vs tors. theta energy: -35.095
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: 3
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -400.907159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.907159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.907159 (E_RNA)
where:
Base-Base interactions energy: -274.430
where: short stacking energy: -123.791
Base-Backbone interact. energy: -2.890
local terms energy: -123.587075
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -29.969
flat angles C4'-P-C4' energy: -24.514
flat angles P-C4'-P energy: -19.875
tors. eta vs tors. theta energy: -29.627
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: 338
Temperature: 1.250000
Total energy: -332.188281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.188281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.188281 (E_RNA)
where:
Base-Base interactions energy: -219.310
where: short stacking energy: -93.909
Base-Backbone interact. energy: -0.244
local terms energy: -112.634912
where:
bonds (distance) C4'-P energy: -27.807
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -31.843
flat angles P-C4'-P energy: -18.711
tors. eta vs tors. theta energy: -19.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -323.172547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.172547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.172547 (E_RNA)
where:
Base-Base interactions energy: -217.033
where: short stacking energy: -94.683
Base-Backbone interact. energy: -0.483
local terms energy: -105.656621
where:
bonds (distance) C4'-P energy: -23.490
bonds (distance) P-C4' energy: -20.968
flat angles C4'-P-C4' energy: -25.893
flat angles P-C4'-P energy: -16.453
tors. eta vs tors. theta energy: -18.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -128.660753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.660753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.660753 (E_RNA)
where:
Base-Base interactions energy: -43.402
where: short stacking energy: -44.653
Base-Backbone interact. energy: -2.112
local terms energy: -83.146930
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -26.211
flat angles C4'-P-C4' energy: -26.253
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -1.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -536.016206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.016206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.016206 (E_RNA)
where:
Base-Base interactions energy: -377.594
where: short stacking energy: -160.980
Base-Backbone interact. energy: -0.007
local terms energy: -158.416090
where:
bonds (distance) C4'-P energy: -33.278
bonds (distance) P-C4' energy: -22.888
flat angles C4'-P-C4' energy: -33.262
flat angles P-C4'-P energy: -20.985
tors. eta vs tors. theta energy: -48.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -533.986168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.986168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.986168 (E_RNA)
where:
Base-Base interactions energy: -371.686
where: short stacking energy: -153.716
Base-Backbone interact. energy: -0.001
local terms energy: -162.299551
where:
bonds (distance) C4'-P energy: -29.323
bonds (distance) P-C4' energy: -26.739
flat angles C4'-P-C4' energy: -34.398
flat angles P-C4'-P energy: -27.349
tors. eta vs tors. theta energy: -44.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -520.467897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.467897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.467897 (E_RNA)
where:
Base-Base interactions energy: -371.235
where: short stacking energy: -143.293
Base-Backbone interact. energy: -0.677
local terms energy: -148.556513
where:
bonds (distance) C4'-P energy: -27.492
bonds (distance) P-C4' energy: -27.671
flat angles C4'-P-C4' energy: -29.843
flat angles P-C4'-P energy: -18.173
tors. eta vs tors. theta energy: -45.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -497.446369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.446369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.446369 (E_RNA)
where:
Base-Base interactions energy: -343.665
where: short stacking energy: -150.111
Base-Backbone interact. energy: -0.702
local terms energy: -153.080297
where:
bonds (distance) C4'-P energy: -26.805
bonds (distance) P-C4' energy: -28.555
flat angles C4'-P-C4' energy: -32.810
flat angles P-C4'-P energy: -19.816
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: 5, replica: 8
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -499.137491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.137491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.137491 (E_RNA)
where:
Base-Base interactions energy: -352.554
where: short stacking energy: -151.609
Base-Backbone interact. energy: -0.101
local terms energy: -146.482579
where:
bonds (distance) C4'-P energy: -28.280
bonds (distance) P-C4' energy: -24.550
flat angles C4'-P-C4' energy: -27.757
flat angles P-C4'-P energy: -23.011
tors. eta vs tors. theta energy: -42.885
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: 339
Temperature: 1.150000
Total energy: -423.068125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.068125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.068125 (E_RNA)
where:
Base-Base interactions energy: -277.111
where: short stacking energy: -122.258
Base-Backbone interact. energy: -0.902
local terms energy: -145.055548
where:
bonds (distance) C4'-P energy: -25.644
bonds (distance) P-C4' energy: -26.215
flat angles C4'-P-C4' energy: -29.509
flat angles P-C4'-P energy: -23.933
tors. eta vs tors. theta energy: -39.754
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: 3
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -411.957308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.957308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.957308 (E_RNA)
where:
Base-Base interactions energy: -283.626
where: short stacking energy: -118.796
Base-Backbone interact. energy: -0.370
local terms energy: -127.961163
where:
bonds (distance) C4'-P energy: -22.802
bonds (distance) P-C4' energy: -19.326
flat angles C4'-P-C4' energy: -30.732
flat angles P-C4'-P energy: -18.950
tors. eta vs tors. theta energy: -36.151
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: 8, replica: 1
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -371.593371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.593371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.593371 (E_RNA)
where:
Base-Base interactions energy: -249.822
where: short stacking energy: -106.268
Base-Backbone interact. energy: -0.310
local terms energy: -121.462037
where:
bonds (distance) C4'-P energy: -23.461
bonds (distance) P-C4' energy: -25.699
flat angles C4'-P-C4' energy: -29.542
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -28.605
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: 10
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -313.627083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.627083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.627083 (E_RNA)
where:
Base-Base interactions energy: -209.328
where: short stacking energy: -91.928
Base-Backbone interact. energy: -0.065
local terms energy: -104.234258
where:
bonds (distance) C4'-P energy: -20.842
bonds (distance) P-C4' energy: -26.807
flat angles C4'-P-C4' energy: -24.968
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -18.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -177.740497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.740497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.740497 (E_RNA)
where:
Base-Base interactions energy: -87.380
where: short stacking energy: -46.151
Base-Backbone interact. energy: -0.548
local terms energy: -89.812901
where:
bonds (distance) C4'-P energy: -21.988
bonds (distance) P-C4' energy: -24.687
flat angles C4'-P-C4' energy: -21.265
flat angles P-C4'-P energy: -18.011
tors. eta vs tors. theta energy: -3.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -539.683306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.683306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.683306 (E_RNA)
where:
Base-Base interactions energy: -378.916
where: short stacking energy: -159.676
Base-Backbone interact. energy: -0.646
local terms energy: -160.121662
where:
bonds (distance) C4'-P energy: -26.508
bonds (distance) P-C4' energy: -34.346
flat angles C4'-P-C4' energy: -34.637
flat angles P-C4'-P energy: -20.351
tors. eta vs tors. theta energy: -44.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -528.940929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.940929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.940929 (E_RNA)
where:
Base-Base interactions energy: -376.927
where: short stacking energy: -156.029
Base-Backbone interact. energy: 0.624
local terms energy: -152.637778
where:
bonds (distance) C4'-P energy: -22.647
bonds (distance) P-C4' energy: -30.160
flat angles C4'-P-C4' energy: -31.291
flat angles P-C4'-P energy: -24.147
tors. eta vs tors. theta energy: -44.393
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: 4
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -496.551183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.551183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.551183 (E_RNA)
where:
Base-Base interactions energy: -336.300
where: short stacking energy: -150.122
Base-Backbone interact. energy: -2.543
local terms energy: -157.708430
where:
bonds (distance) C4'-P energy: -31.011
bonds (distance) P-C4' energy: -28.404
flat angles C4'-P-C4' energy: -30.803
flat angles P-C4'-P energy: -19.163
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: 4, replica: 9
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -513.129041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.129041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.129041 (E_RNA)
where:
Base-Base interactions energy: -357.901
where: short stacking energy: -150.695
Base-Backbone interact. energy: -0.832
local terms energy: -154.396723
where:
bonds (distance) C4'-P energy: -31.646
bonds (distance) P-C4' energy: -25.613
flat angles C4'-P-C4' energy: -31.097
flat angles P-C4'-P energy: -19.235
tors. eta vs tors. theta energy: -46.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -503.516339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.516339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.516339 (E_RNA)
where:
Base-Base interactions energy: -362.444
where: short stacking energy: -149.814
Base-Backbone interact. energy: -0.129
local terms energy: -140.943816
where:
bonds (distance) C4'-P energy: -25.682
bonds (distance) P-C4' energy: -26.825
flat angles C4'-P-C4' energy: -27.808
flat angles P-C4'-P energy: -18.408
tors. eta vs tors. theta energy: -42.221
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: 2
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -436.474939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.474939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.474939 (E_RNA)
where:
Base-Base interactions energy: -297.026
where: short stacking energy: -125.354
Base-Backbone interact. energy: -0.091
local terms energy: -139.358114
where:
bonds (distance) C4'-P energy: -25.382
bonds (distance) P-C4' energy: -21.742
flat angles C4'-P-C4' energy: -29.233
flat angles P-C4'-P energy: -21.808
tors. eta vs tors. theta energy: -41.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -398.120653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.120653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.120653 (E_RNA)
where:
Base-Base interactions energy: -280.429
where: short stacking energy: -130.386
Base-Backbone interact. energy: 2.273
local terms energy: -119.964458
where:
bonds (distance) C4'-P energy: -25.092
bonds (distance) P-C4' energy: -20.428
flat angles C4'-P-C4' energy: -25.443
flat angles P-C4'-P energy: -15.871
tors. eta vs tors. theta energy: -33.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -358.123839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.123839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.123839 (E_RNA)
where:
Base-Base interactions energy: -250.358
where: short stacking energy: -96.164
Base-Backbone interact. energy: -1.032
local terms energy: -106.733892
where:
bonds (distance) C4'-P energy: -22.775
bonds (distance) P-C4' energy: -21.875
flat angles C4'-P-C4' energy: -28.858
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -19.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -326.344603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.344603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.344603 (E_RNA)
where:
Base-Base interactions energy: -218.255
where: short stacking energy: -106.211
Base-Backbone interact. energy: -0.396
local terms energy: -107.693376
where:
bonds (distance) C4'-P energy: -27.708
bonds (distance) P-C4' energy: -22.121
flat angles C4'-P-C4' energy: -23.273
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -25.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -196.904405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.904405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.904405 (E_RNA)
where:
Base-Base interactions energy: -103.293
where: short stacking energy: -55.107
Base-Backbone interact. energy: -0.333
local terms energy: -93.278255
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -30.389
flat angles C4'-P-C4' energy: -20.762
flat angles P-C4'-P energy: -14.853
tors. eta vs tors. theta energy: -10.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -534.649671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.649671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.649671 (E_RNA)
where:
Base-Base interactions energy: -374.298
where: short stacking energy: -162.844
Base-Backbone interact. energy: -0.002
local terms energy: -160.350468
where:
bonds (distance) C4'-P energy: -29.822
bonds (distance) P-C4' energy: -30.717
flat angles C4'-P-C4' energy: -31.186
flat angles P-C4'-P energy: -22.573
tors. eta vs tors. theta energy: -46.053
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: 4
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -498.800237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.800237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.800237 (E_RNA)
where:
Base-Base interactions energy: -342.034
where: short stacking energy: -154.854
Base-Backbone interact. energy: -0.026
local terms energy: -156.740771
where:
bonds (distance) C4'-P energy: -28.482
bonds (distance) P-C4' energy: -26.798
flat angles C4'-P-C4' energy: -34.480
flat angles P-C4'-P energy: -19.740
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: 3, replica: 7
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -517.465276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.465276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.465276 (E_RNA)
where:
Base-Base interactions energy: -364.708
where: short stacking energy: -149.281
Base-Backbone interact. energy: 0.535
local terms energy: -153.292477
where:
bonds (distance) C4'-P energy: -28.168
bonds (distance) P-C4' energy: -28.511
flat angles C4'-P-C4' energy: -28.426
flat angles P-C4'-P energy: -23.198
tors. eta vs tors. theta energy: -44.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -515.341303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.341303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.341303 (E_RNA)
where:
Base-Base interactions energy: -367.737
where: short stacking energy: -147.987
Base-Backbone interact. energy: -0.832
local terms energy: -146.772307
where:
bonds (distance) C4'-P energy: -27.204
bonds (distance) P-C4' energy: -22.883
flat angles C4'-P-C4' energy: -33.552
flat angles P-C4'-P energy: -18.433
tors. eta vs tors. theta energy: -44.700
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: 8
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -509.443459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.443459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.443459 (E_RNA)
where:
Base-Base interactions energy: -364.302
where: short stacking energy: -138.692
Base-Backbone interact. energy: -1.277
local terms energy: -143.865019
where:
bonds (distance) C4'-P energy: -24.799
bonds (distance) P-C4' energy: -30.005
flat angles C4'-P-C4' energy: -28.524
flat angles P-C4'-P energy: -17.294
tors. eta vs tors. theta energy: -43.243
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: 6, replica: 2
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -426.018527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.018527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.018527 (E_RNA)
where:
Base-Base interactions energy: -287.944
where: short stacking energy: -124.911
Base-Backbone interact. energy: -0.671
local terms energy: -137.402692
where:
bonds (distance) C4'-P energy: -25.062
bonds (distance) P-C4' energy: -25.083
flat angles C4'-P-C4' energy: -29.211
flat angles P-C4'-P energy: -20.245
tors. eta vs tors. theta energy: -37.801
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: 7, replica: 3
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -413.356637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.356637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.356637 (E_RNA)
where:
Base-Base interactions energy: -279.861
where: short stacking energy: -122.158
Base-Backbone interact. energy: -0.524
local terms energy: -132.971696
where:
bonds (distance) C4'-P energy: -27.360
bonds (distance) P-C4' energy: -28.257
flat angles C4'-P-C4' energy: -23.537
flat angles P-C4'-P energy: -24.885
tors. eta vs tors. theta energy: -28.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -357.190041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.190041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.190041 (E_RNA)
where:
Base-Base interactions energy: -244.253
where: short stacking energy: -91.919
Base-Backbone interact. energy: -0.132
local terms energy: -112.805319
where:
bonds (distance) C4'-P energy: -25.279
bonds (distance) P-C4' energy: -25.546
flat angles C4'-P-C4' energy: -24.659
flat angles P-C4'-P energy: -18.764
tors. eta vs tors. theta energy: -18.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -348.150476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.150476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.150476 (E_RNA)
where:
Base-Base interactions energy: -227.265
where: short stacking energy: -107.575
Base-Backbone interact. energy: 2.370
local terms energy: -123.255242
where:
bonds (distance) C4'-P energy: -28.862
bonds (distance) P-C4' energy: -22.205
flat angles C4'-P-C4' energy: -25.505
flat angles P-C4'-P energy: -18.503
tors. eta vs tors. theta energy: -28.180
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: 5
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -134.273497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.273497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.273497 (E_RNA)
where:
Base-Base interactions energy: -47.783
where: short stacking energy: -40.199
Base-Backbone interact. energy: -0.520
local terms energy: -85.970649
where:
bonds (distance) C4'-P energy: -27.704
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -25.218
flat angles P-C4'-P energy: -9.800
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: 6
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -535.299576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.299576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.299576 (E_RNA)
where:
Base-Base interactions energy: -376.021
where: short stacking energy: -158.204
Base-Backbone interact. energy: -0.242
local terms energy: -159.036556
where:
bonds (distance) C4'-P energy: -29.778
bonds (distance) P-C4' energy: -30.082
flat angles C4'-P-C4' energy: -32.228
flat angles P-C4'-P energy: -17.709
tors. eta vs tors. theta energy: -49.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -506.829669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.829669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.829669 (E_RNA)
where:
Base-Base interactions energy: -352.818
where: short stacking energy: -157.145
Base-Backbone interact. energy: -1.152
local terms energy: -152.859544
where:
bonds (distance) C4'-P energy: -25.615
bonds (distance) P-C4' energy: -25.789
flat angles C4'-P-C4' energy: -35.260
flat angles P-C4'-P energy: -19.443
tors. eta vs tors. theta energy: -46.753
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: 9
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -519.506886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.506886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.506886 (E_RNA)
where:
Base-Base interactions energy: -391.786
where: short stacking energy: -146.939
Base-Backbone interact. energy: -0.485
local terms energy: -127.235027
where:
bonds (distance) C4'-P energy: -22.559
bonds (distance) P-C4' energy: -25.203
flat angles C4'-P-C4' energy: -25.412
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: -40.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -518.679797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.679797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.679797 (E_RNA)
where:
Base-Base interactions energy: -370.859
where: short stacking energy: -154.081
Base-Backbone interact. energy: -0.123
local terms energy: -147.697462
where:
bonds (distance) C4'-P energy: -20.278
bonds (distance) P-C4' energy: -27.757
flat angles C4'-P-C4' energy: -33.374
flat angles P-C4'-P energy: -21.737
tors. eta vs tors. theta energy: -44.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -507.303531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.303531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.303531 (E_RNA)
where:
Base-Base interactions energy: -367.728
where: short stacking energy: -150.626
Base-Backbone interact. energy: -0.080
local terms energy: -139.495084
where:
bonds (distance) C4'-P energy: -25.708
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -30.629
flat angles P-C4'-P energy: -20.316
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: 6, replica: 2
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -383.377128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.377128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.377128 (E_RNA)
where:
Base-Base interactions energy: -258.514
where: short stacking energy: -120.172
Base-Backbone interact. energy: -1.541
local terms energy: -123.322665
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -27.307
flat angles C4'-P-C4' energy: -31.017
flat angles P-C4'-P energy: -19.201
tors. eta vs tors. theta energy: -30.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -423.194866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.194866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.194866 (E_RNA)
where:
Base-Base interactions energy: -288.541
where: short stacking energy: -125.681
Base-Backbone interact. energy: -0.955
local terms energy: -133.698872
where:
bonds (distance) C4'-P energy: -22.611
bonds (distance) P-C4' energy: -25.209
flat angles C4'-P-C4' energy: -29.232
flat angles P-C4'-P energy: -16.032
tors. eta vs tors. theta energy: -40.615
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: 1
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -360.729395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.729395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.729395 (E_RNA)
where:
Base-Base interactions energy: -242.288
where: short stacking energy: -107.678
Base-Backbone interact. energy: -0.617
local terms energy: -117.824113
where:
bonds (distance) C4'-P energy: -21.765
bonds (distance) P-C4' energy: -27.651
flat angles C4'-P-C4' energy: -29.895
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -25.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -331.016291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.016291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.016291 (E_RNA)
where:
Base-Base interactions energy: -214.533
where: short stacking energy: -92.185
Base-Backbone interact. energy: -0.273
local terms energy: -116.210386
where:
bonds (distance) C4'-P energy: -19.459
bonds (distance) P-C4' energy: -26.177
flat angles C4'-P-C4' energy: -30.809
flat angles P-C4'-P energy: -16.919
tors. eta vs tors. theta energy: -22.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -157.430464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.430464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.430464 (E_RNA)
where:
Base-Base interactions energy: -71.270
where: short stacking energy: -54.902
Base-Backbone interact. energy: -0.388
local terms energy: -85.772751
where:
bonds (distance) C4'-P energy: -18.476
bonds (distance) P-C4' energy: -23.006
flat angles C4'-P-C4' energy: -24.244
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -6.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -541.336361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.336361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.336361 (E_RNA)
where:
Base-Base interactions energy: -389.151
where: short stacking energy: -167.551
Base-Backbone interact. energy: -0.078
local terms energy: -152.106583
where:
bonds (distance) C4'-P energy: -25.020
bonds (distance) P-C4' energy: -24.901
flat angles C4'-P-C4' energy: -33.283
flat angles P-C4'-P energy: -20.818
tors. eta vs tors. theta energy: -48.084
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: 9
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -521.964803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.964803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.964803 (E_RNA)
where:
Base-Base interactions energy: -374.213
where: short stacking energy: -147.261
Base-Backbone interact. energy: -0.073
local terms energy: -147.678848
where:
bonds (distance) C4'-P energy: -25.408
bonds (distance) P-C4' energy: -25.138
flat angles C4'-P-C4' energy: -34.170
flat angles P-C4'-P energy: -21.963
tors. eta vs tors. theta energy: -41.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -517.991180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.991180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.991180 (E_RNA)
where:
Base-Base interactions energy: -360.608
where: short stacking energy: -164.606
Base-Backbone interact. energy: -0.305
local terms energy: -157.078570
where:
bonds (distance) C4'-P energy: -26.736
bonds (distance) P-C4' energy: -24.955
flat angles C4'-P-C4' energy: -33.334
flat angles P-C4'-P energy: -24.321
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: 4, replica: 8
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -504.601553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.601553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.601553 (E_RNA)
where:
Base-Base interactions energy: -358.944
where: short stacking energy: -146.423
Base-Backbone interact. energy: -0.202
local terms energy: -145.455246
where:
bonds (distance) C4'-P energy: -24.321
bonds (distance) P-C4' energy: -27.898
flat angles C4'-P-C4' energy: -30.303
flat angles P-C4'-P energy: -22.378
tors. eta vs tors. theta energy: -40.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -499.866077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.866077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.866077 (E_RNA)
where:
Base-Base interactions energy: -360.586
where: short stacking energy: -153.224
Base-Backbone interact. energy: -0.006
local terms energy: -139.274321
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -30.111
flat angles P-C4'-P energy: -21.853
tors. eta vs tors. theta energy: -48.394
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: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -445.563332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.563332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.563332 (E_RNA)
where:
Base-Base interactions energy: -307.740
where: short stacking energy: -131.147
Base-Backbone interact. energy: -0.401
local terms energy: -137.422284
where:
bonds (distance) C4'-P energy: -26.408
bonds (distance) P-C4' energy: -26.965
flat angles C4'-P-C4' energy: -29.953
flat angles P-C4'-P energy: -17.805
tors. eta vs tors. theta energy: -36.291
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: 2
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -376.920384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.920384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.920384 (E_RNA)
where:
Base-Base interactions energy: -247.861
where: short stacking energy: -107.667
Base-Backbone interact. energy: -0.214
local terms energy: -128.845062
where:
bonds (distance) C4'-P energy: -25.266
bonds (distance) P-C4' energy: -24.486
flat angles C4'-P-C4' energy: -25.946
flat angles P-C4'-P energy: -20.954
tors. eta vs tors. theta energy: -32.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -339.444469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.444469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.444469 (E_RNA)
where:
Base-Base interactions energy: -227.596
where: short stacking energy: -90.712
Base-Backbone interact. energy: -0.430
local terms energy: -111.418727
where:
bonds (distance) C4'-P energy: -24.131
bonds (distance) P-C4' energy: -26.967
flat angles C4'-P-C4' energy: -24.366
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -20.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -375.578392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.578392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.578392 (E_RNA)
where:
Base-Base interactions energy: -265.852
where: short stacking energy: -98.349
Base-Backbone interact. energy: 1.147
local terms energy: -110.873762
where:
bonds (distance) C4'-P energy: -24.182
bonds (distance) P-C4' energy: -20.088
flat angles C4'-P-C4' energy: -24.119
flat angles P-C4'-P energy: -17.380
tors. eta vs tors. theta energy: -25.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -157.777675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.777675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.777675 (E_RNA)
where:
Base-Base interactions energy: -65.890
where: short stacking energy: -38.985
Base-Backbone interact. energy: -0.932
local terms energy: -90.955449
where:
bonds (distance) C4'-P energy: -28.632
bonds (distance) P-C4' energy: -27.533
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -15.222
tors. eta vs tors. theta energy: -3.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -529.790458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.790458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.790458 (E_RNA)
where:
Base-Base interactions energy: -371.579
where: short stacking energy: -152.415
Base-Backbone interact. energy: -0.841
local terms energy: -157.370441
where:
bonds (distance) C4'-P energy: -30.357
bonds (distance) P-C4' energy: -26.178
flat angles C4'-P-C4' energy: -31.181
flat angles P-C4'-P energy: -27.483
tors. eta vs tors. theta energy: -42.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -538.762300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.762300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.762300 (E_RNA)
where:
Base-Base interactions energy: -373.744
where: short stacking energy: -156.494
Base-Backbone interact. energy: -0.190
local terms energy: -164.828398
where:
bonds (distance) C4'-P energy: -30.363
bonds (distance) P-C4' energy: -29.510
flat angles C4'-P-C4' energy: -32.139
flat angles P-C4'-P energy: -26.243
tors. eta vs tors. theta energy: -46.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -529.288007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.288007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.288007 (E_RNA)
where:
Base-Base interactions energy: -374.368
where: short stacking energy: -139.729
Base-Backbone interact. energy: 0.317
local terms energy: -155.236832
where:
bonds (distance) C4'-P energy: -28.975
bonds (distance) P-C4' energy: -25.489
flat angles C4'-P-C4' energy: -35.199
flat angles P-C4'-P energy: -23.601
tors. eta vs tors. theta energy: -41.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -495.776590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.776590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.776590 (E_RNA)
where:
Base-Base interactions energy: -352.842
where: short stacking energy: -159.475
Base-Backbone interact. energy: -0.013
local terms energy: -142.921816
where:
bonds (distance) C4'-P energy: -21.420
bonds (distance) P-C4' energy: -19.531
flat angles C4'-P-C4' energy: -34.635
flat angles P-C4'-P energy: -22.370
tors. eta vs tors. theta energy: -44.965
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: 5, replica: 7
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -498.397693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.397693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.397693 (E_RNA)
where:
Base-Base interactions energy: -351.370
where: short stacking energy: -146.339
Base-Backbone interact. energy: -0.467
local terms energy: -146.560609
where:
bonds (distance) C4'-P energy: -25.590
bonds (distance) P-C4' energy: -26.749
flat angles C4'-P-C4' energy: -27.933
flat angles P-C4'-P energy: -25.063
tors. eta vs tors. theta energy: -41.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -443.300963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.300963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.300963 (E_RNA)
where:
Base-Base interactions energy: -320.900
where: short stacking energy: -137.939
Base-Backbone interact. energy: -0.145
local terms energy: -122.255334
where:
bonds (distance) C4'-P energy: -20.911
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -29.788
flat angles P-C4'-P energy: -17.180
tors. eta vs tors. theta energy: -36.770
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: 10
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -347.666565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.666565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.666565 (E_RNA)
where:
Base-Base interactions energy: -238.550
where: short stacking energy: -112.723
Base-Backbone interact. energy: 0.054
local terms energy: -109.170597
where:
bonds (distance) C4'-P energy: -26.785
bonds (distance) P-C4' energy: -17.360
flat angles C4'-P-C4' energy: -30.010
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -22.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -414.112650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.112650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.112650 (E_RNA)
where:
Base-Base interactions energy: -283.230
where: short stacking energy: -126.080
Base-Backbone interact. energy: -0.327
local terms energy: -130.556053
where:
bonds (distance) C4'-P energy: -21.309
bonds (distance) P-C4' energy: -28.076
flat angles C4'-P-C4' energy: -28.193
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -40.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -365.658965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.658965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.658965 (E_RNA)
where:
Base-Base interactions energy: -267.557
where: short stacking energy: -118.796
Base-Backbone interact. energy: 2.714
local terms energy: -100.815391
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -21.730
flat angles C4'-P-C4' energy: -27.300
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -29.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -140.540328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.540328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.540328 (E_RNA)
where:
Base-Base interactions energy: -65.484
where: short stacking energy: -31.967
Base-Backbone interact. energy: -0.948
local terms energy: -74.108877
where:
bonds (distance) C4'-P energy: -20.017
bonds (distance) P-C4' energy: -26.070
flat angles C4'-P-C4' energy: -23.330
flat angles P-C4'-P energy: -12.541
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: 9
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -526.024456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.024456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.024456 (E_RNA)
where:
Base-Base interactions energy: -383.457
where: short stacking energy: -141.610
Base-Backbone interact. energy: -0.146
local terms energy: -142.421191
where:
bonds (distance) C4'-P energy: -27.266
bonds (distance) P-C4' energy: -30.466
flat angles C4'-P-C4' energy: -30.121
flat angles P-C4'-P energy: -17.842
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: 2, replica: 6
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -534.326711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.326711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.326711 (E_RNA)
where:
Base-Base interactions energy: -376.738
where: short stacking energy: -159.197
Base-Backbone interact. energy: 0.161
local terms energy: -157.750265
where:
bonds (distance) C4'-P energy: -25.083
bonds (distance) P-C4' energy: -25.878
flat angles C4'-P-C4' energy: -31.469
flat angles P-C4'-P energy: -26.402
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: 3, replica: 8
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -525.088255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.088255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.088255 (E_RNA)
where:
Base-Base interactions energy: -362.948
where: short stacking energy: -154.415
Base-Backbone interact. energy: 1.360
local terms energy: -163.500047
where:
bonds (distance) C4'-P energy: -31.744
bonds (distance) P-C4' energy: -24.240
flat angles C4'-P-C4' energy: -35.347
flat angles P-C4'-P energy: -22.272
tors. eta vs tors. theta energy: -49.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -505.135145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.135145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.135145 (E_RNA)
where:
Base-Base interactions energy: -351.086
where: short stacking energy: -154.837
Base-Backbone interact. energy: -0.021
local terms energy: -154.028383
where:
bonds (distance) C4'-P energy: -26.772
bonds (distance) P-C4' energy: -29.338
flat angles C4'-P-C4' energy: -31.038
flat angles P-C4'-P energy: -21.842
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: 5, replica: 4
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -494.276365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.276365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.276365 (E_RNA)
where:
Base-Base interactions energy: -353.780
where: short stacking energy: -140.561
Base-Backbone interact. energy: -0.080
local terms energy: -140.415675
where:
bonds (distance) C4'-P energy: -27.448
bonds (distance) P-C4' energy: -26.480
flat angles C4'-P-C4' energy: -30.279
flat angles P-C4'-P energy: -14.938
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: 3
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -419.998817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.998817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.998817 (E_RNA)
where:
Base-Base interactions energy: -297.867
where: short stacking energy: -127.719
Base-Backbone interact. energy: -0.999
local terms energy: -121.132915
where:
bonds (distance) C4'-P energy: -18.711
bonds (distance) P-C4' energy: -25.135
flat angles C4'-P-C4' energy: -25.158
flat angles P-C4'-P energy: -19.326
tors. eta vs tors. theta energy: -32.803
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: 345
Temperature: 1.200000
Total energy: -344.221586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.221586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.221586 (E_RNA)
where:
Base-Base interactions energy: -237.412
where: short stacking energy: -90.077
Base-Backbone interact. energy: -0.489
local terms energy: -106.320768
where:
bonds (distance) C4'-P energy: -24.754
bonds (distance) P-C4' energy: -23.823
flat angles C4'-P-C4' energy: -21.759
flat angles P-C4'-P energy: -15.030
tors. eta vs tors. theta energy: -20.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -395.959403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.959403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.959403 (E_RNA)
where:
Base-Base interactions energy: -276.319
where: short stacking energy: -118.522
Base-Backbone interact. energy: -0.956
local terms energy: -118.684207
where:
bonds (distance) C4'-P energy: -26.538
bonds (distance) P-C4' energy: -24.232
flat angles C4'-P-C4' energy: -25.889
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -33.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -347.666912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.666912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.666912 (E_RNA)
where:
Base-Base interactions energy: -248.997
where: short stacking energy: -98.248
Base-Backbone interact. energy: -0.405
local terms energy: -98.265332
where:
bonds (distance) C4'-P energy: -19.986
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -20.544
flat angles P-C4'-P energy: -16.262
tors. eta vs tors. theta energy: -23.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -133.208842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.208842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.208842 (E_RNA)
where:
Base-Base interactions energy: -41.535
where: short stacking energy: -38.697
Base-Backbone interact. energy: -0.326
local terms energy: -91.347601
where:
bonds (distance) C4'-P energy: -20.699
bonds (distance) P-C4' energy: -27.725
flat angles C4'-P-C4' energy: -27.391
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -3.139
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: 346
Temperature: 0.900000
Total energy: -536.154019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.154019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.154019 (E_RNA)
where:
Base-Base interactions energy: -379.439
where: short stacking energy: -160.135
Base-Backbone interact. energy: 0.361
local terms energy: -157.075770
where:
bonds (distance) C4'-P energy: -24.244
bonds (distance) P-C4' energy: -24.701
flat angles C4'-P-C4' energy: -33.099
flat angles P-C4'-P energy: -23.901
tors. eta vs tors. theta energy: -51.132
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: 2, replica: 9
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -526.907547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.907547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.907547 (E_RNA)
where:
Base-Base interactions energy: -374.925
where: short stacking energy: -148.116
Base-Backbone interact. energy: -0.117
local terms energy: -151.864790
where:
bonds (distance) C4'-P energy: -29.820
bonds (distance) P-C4' energy: -29.952
flat angles C4'-P-C4' energy: -34.468
flat angles P-C4'-P energy: -22.087
tors. eta vs tors. theta energy: -35.539
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: 3, replica: 7
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -512.854754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.854754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.854754 (E_RNA)
where:
Base-Base interactions energy: -366.078
where: short stacking energy: -148.109
Base-Backbone interact. energy: -0.134
local terms energy: -146.642013
where:
bonds (distance) C4'-P energy: -22.351
bonds (distance) P-C4' energy: -23.569
flat angles C4'-P-C4' energy: -27.963
flat angles P-C4'-P energy: -24.465
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: 8
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -519.252977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.252977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.252977 (E_RNA)
where:
Base-Base interactions energy: -369.634
where: short stacking energy: -150.044
Base-Backbone interact. energy: -0.239
local terms energy: -149.379940
where:
bonds (distance) C4'-P energy: -24.000
bonds (distance) P-C4' energy: -26.145
flat angles C4'-P-C4' energy: -28.408
flat angles P-C4'-P energy: -25.756
tors. eta vs tors. theta energy: -45.071
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: 3
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -443.268975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.268975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.268975 (E_RNA)
where:
Base-Base interactions energy: -294.165
where: short stacking energy: -142.376
Base-Backbone interact. energy: -0.063
local terms energy: -149.040843
where:
bonds (distance) C4'-P energy: -27.775
bonds (distance) P-C4' energy: -26.339
flat angles C4'-P-C4' energy: -31.201
flat angles P-C4'-P energy: -19.757
tors. eta vs tors. theta energy: -43.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -490.427351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.427351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.427351 (E_RNA)
where:
Base-Base interactions energy: -351.171
where: short stacking energy: -145.411
Base-Backbone interact. energy: -0.249
local terms energy: -139.007029
where:
bonds (distance) C4'-P energy: -19.710
bonds (distance) P-C4' energy: -28.203
flat angles C4'-P-C4' energy: -29.872
flat angles P-C4'-P energy: -16.531
tors. eta vs tors. theta energy: -44.690
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: 346
Temperature: 1.200000
Total energy: -408.269066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.269066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.269066 (E_RNA)
where:
Base-Base interactions energy: -282.263
where: short stacking energy: -130.629
Base-Backbone interact. energy: -0.037
local terms energy: -125.969989
where:
bonds (distance) C4'-P energy: -25.428
bonds (distance) P-C4' energy: -26.566
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: -36.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -336.984042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.984042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.984042 (E_RNA)
where:
Base-Base interactions energy: -225.841
where: short stacking energy: -93.230
Base-Backbone interact. energy: -0.022
local terms energy: -111.121164
where:
bonds (distance) C4'-P energy: -25.659
bonds (distance) P-C4' energy: -22.035
flat angles C4'-P-C4' energy: -22.411
flat angles P-C4'-P energy: -16.018
tors. eta vs tors. theta energy: -24.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -329.833881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.833881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.833881 (E_RNA)
where:
Base-Base interactions energy: -229.114
where: short stacking energy: -94.147
Base-Backbone interact. energy: -0.243
local terms energy: -100.476314
where:
bonds (distance) C4'-P energy: -25.228
bonds (distance) P-C4' energy: -27.728
flat angles C4'-P-C4' energy: -22.589
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -14.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -128.117607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.117607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.117607 (E_RNA)
where:
Base-Base interactions energy: -50.341
where: short stacking energy: -36.069
Base-Backbone interact. energy: 3.024
local terms energy: -80.801151
where:
bonds (distance) C4'-P energy: -22.291
bonds (distance) P-C4' energy: -24.314
flat angles C4'-P-C4' energy: -21.432
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -1.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -536.713593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.713593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.713593 (E_RNA)
where:
Base-Base interactions energy: -378.796
where: short stacking energy: -158.882
Base-Backbone interact. energy: -0.332
local terms energy: -157.585419
where:
bonds (distance) C4'-P energy: -29.560
bonds (distance) P-C4' energy: -27.470
flat angles C4'-P-C4' energy: -31.485
flat angles P-C4'-P energy: -22.195
tors. eta vs tors. theta energy: -46.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -528.006105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.006105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.006105 (E_RNA)
where:
Base-Base interactions energy: -377.913
where: short stacking energy: -154.671
Base-Backbone interact. energy: -1.309
local terms energy: -148.784511
where:
bonds (distance) C4'-P energy: -26.164
bonds (distance) P-C4' energy: -29.353
flat angles C4'-P-C4' energy: -30.830
flat angles P-C4'-P energy: -22.958
tors. eta vs tors. theta energy: -39.478
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: 7
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -531.883593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.883593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.883593 (E_RNA)
where:
Base-Base interactions energy: -378.789
where: short stacking energy: -149.801
Base-Backbone interact. energy: -0.027
local terms energy: -153.068002
where:
bonds (distance) C4'-P energy: -24.844
bonds (distance) P-C4' energy: -31.092
flat angles C4'-P-C4' energy: -31.857
flat angles P-C4'-P energy: -18.469
tors. eta vs tors. theta energy: -46.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -504.933142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.933142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.933142 (E_RNA)
where:
Base-Base interactions energy: -352.589
where: short stacking energy: -150.686
Base-Backbone interact. energy: -0.897
local terms energy: -151.446619
where:
bonds (distance) C4'-P energy: -28.714
bonds (distance) P-C4' energy: -31.765
flat angles C4'-P-C4' energy: -29.360
flat angles P-C4'-P energy: -20.072
tors. eta vs tors. theta energy: -41.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -457.852684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.852684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.852684 (E_RNA)
where:
Base-Base interactions energy: -313.340
where: short stacking energy: -150.495
Base-Backbone interact. energy: -0.621
local terms energy: -143.891495
where:
bonds (distance) C4'-P energy: -27.054
bonds (distance) P-C4' energy: -30.852
flat angles C4'-P-C4' energy: -26.463
flat angles P-C4'-P energy: -18.737
tors. eta vs tors. theta energy: -40.785
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: 6, replica: 4
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -478.337132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.337132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.337132 (E_RNA)
where:
Base-Base interactions energy: -340.420
where: short stacking energy: -150.913
Base-Backbone interact. energy: -0.043
local terms energy: -137.873659
where:
bonds (distance) C4'-P energy: -26.420
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -25.478
flat angles P-C4'-P energy: -18.731
tors. eta vs tors. theta energy: -47.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -436.131197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.131197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.131197 (E_RNA)
where:
Base-Base interactions energy: -293.702
where: short stacking energy: -137.865
Base-Backbone interact. energy: -0.599
local terms energy: -141.830262
where:
bonds (distance) C4'-P energy: -30.034
bonds (distance) P-C4' energy: -26.449
flat angles C4'-P-C4' energy: -26.861
flat angles P-C4'-P energy: -19.956
tors. eta vs tors. theta energy: -38.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -340.659041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.659041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.659041 (E_RNA)
where:
Base-Base interactions energy: -219.848
where: short stacking energy: -89.602
Base-Backbone interact. energy: -0.737
local terms energy: -120.074864
where:
bonds (distance) C4'-P energy: -23.373
bonds (distance) P-C4' energy: -24.087
flat angles C4'-P-C4' energy: -31.612
flat angles P-C4'-P energy: -15.306
tors. eta vs tors. theta energy: -25.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -334.572473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.572473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.572473 (E_RNA)
where:
Base-Base interactions energy: -222.205
where: short stacking energy: -93.935
Base-Backbone interact. energy: -0.158
local terms energy: -112.209509
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -26.153
flat angles C4'-P-C4' energy: -31.647
flat angles P-C4'-P energy: -16.251
tors. eta vs tors. theta energy: -20.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -134.943758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.943758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.943758 (E_RNA)
where:
Base-Base interactions energy: -56.115
where: short stacking energy: -40.557
Base-Backbone interact. energy: -0.516
local terms energy: -78.312728
where:
bonds (distance) C4'-P energy: -26.779
bonds (distance) P-C4' energy: -21.939
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -0.794
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: 9
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -536.968441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.968441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.968441 (E_RNA)
where:
Base-Base interactions energy: -378.169
where: short stacking energy: -151.301
Base-Backbone interact. energy: -0.003
local terms energy: -158.796220
where:
bonds (distance) C4'-P energy: -21.983
bonds (distance) P-C4' energy: -31.853
flat angles C4'-P-C4' energy: -34.465
flat angles P-C4'-P energy: -24.968
tors. eta vs tors. theta energy: -45.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -528.417807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.417807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.417807 (E_RNA)
where:
Base-Base interactions energy: -371.389
where: short stacking energy: -150.145
Base-Backbone interact. energy: 0.593
local terms energy: -157.622466
where:
bonds (distance) C4'-P energy: -29.999
bonds (distance) P-C4' energy: -28.540
flat angles C4'-P-C4' energy: -26.933
flat angles P-C4'-P energy: -24.965
tors. eta vs tors. theta energy: -47.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -522.216589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.216589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.216589 (E_RNA)
where:
Base-Base interactions energy: -372.041
where: short stacking energy: -155.559
Base-Backbone interact. energy: -0.214
local terms energy: -149.961290
where:
bonds (distance) C4'-P energy: -23.576
bonds (distance) P-C4' energy: -28.775
flat angles C4'-P-C4' energy: -29.144
flat angles P-C4'-P energy: -24.449
tors. eta vs tors. theta energy: -44.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -505.624676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.624676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.624676 (E_RNA)
where:
Base-Base interactions energy: -358.458
where: short stacking energy: -143.273
Base-Backbone interact. energy: -0.120
local terms energy: -147.046164
where:
bonds (distance) C4'-P energy: -26.139
bonds (distance) P-C4' energy: -20.535
flat angles C4'-P-C4' energy: -34.378
flat angles P-C4'-P energy: -23.041
tors. eta vs tors. theta energy: -42.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -498.580423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.580423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.580423 (E_RNA)
where:
Base-Base interactions energy: -355.433
where: short stacking energy: -144.381
Base-Backbone interact. energy: -0.397
local terms energy: -142.750486
where:
bonds (distance) C4'-P energy: -25.017
bonds (distance) P-C4' energy: -24.922
flat angles C4'-P-C4' energy: -26.540
flat angles P-C4'-P energy: -22.141
tors. eta vs tors. theta energy: -44.130
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: 3
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -443.114199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.114199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.114199 (E_RNA)
where:
Base-Base interactions energy: -312.233
where: short stacking energy: -149.773
Base-Backbone interact. energy: -0.189
local terms energy: -130.692342
where:
bonds (distance) C4'-P energy: -20.108
bonds (distance) P-C4' energy: -24.215
flat angles C4'-P-C4' energy: -29.324
flat angles P-C4'-P energy: -18.404
tors. eta vs tors. theta energy: -38.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -419.220600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.220600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.220600 (E_RNA)
where:
Base-Base interactions energy: -282.145
where: short stacking energy: -119.147
Base-Backbone interact. energy: 0.177
local terms energy: -137.252585
where:
bonds (distance) C4'-P energy: -25.356
bonds (distance) P-C4' energy: -26.981
flat angles C4'-P-C4' energy: -25.741
flat angles P-C4'-P energy: -21.274
tors. eta vs tors. theta energy: -37.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -328.678513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.678513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.678513 (E_RNA)
where:
Base-Base interactions energy: -228.654
where: short stacking energy: -104.104
Base-Backbone interact. energy: -0.111
local terms energy: -99.913375
where:
bonds (distance) C4'-P energy: -19.273
bonds (distance) P-C4' energy: -25.960
flat angles C4'-P-C4' energy: -24.210
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -20.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -321.212860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.212860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.212860 (E_RNA)
where:
Base-Base interactions energy: -208.020
where: short stacking energy: -92.671
Base-Backbone interact. energy: -0.136
local terms energy: -113.057141
where:
bonds (distance) C4'-P energy: -26.907
bonds (distance) P-C4' energy: -27.838
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -18.679
tors. eta vs tors. theta energy: -25.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -139.949420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.949420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.949420 (E_RNA)
where:
Base-Base interactions energy: -45.835
where: short stacking energy: -43.650
Base-Backbone interact. energy: -0.370
local terms energy: -93.744610
where:
bonds (distance) C4'-P energy: -18.560
bonds (distance) P-C4' energy: -30.647
flat angles C4'-P-C4' energy: -26.235
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -8.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -534.715319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.715319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.715319 (E_RNA)
where:
Base-Base interactions energy: -375.222
where: short stacking energy: -158.838
Base-Backbone interact. energy: -0.008
local terms energy: -159.484984
where:
bonds (distance) C4'-P energy: -27.243
bonds (distance) P-C4' energy: -31.282
flat angles C4'-P-C4' energy: -30.068
flat angles P-C4'-P energy: -21.725
tors. eta vs tors. theta energy: -49.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -531.741715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.741715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.741715 (E_RNA)
where:
Base-Base interactions energy: -377.643
where: short stacking energy: -155.617
Base-Backbone interact. energy: -0.855
local terms energy: -153.244485
where:
bonds (distance) C4'-P energy: -28.023
bonds (distance) P-C4' energy: -29.069
flat angles C4'-P-C4' energy: -27.426
flat angles P-C4'-P energy: -24.154
tors. eta vs tors. theta energy: -44.573
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: 8
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -522.427467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.427467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.427467 (E_RNA)
where:
Base-Base interactions energy: -371.662
where: short stacking energy: -148.906
Base-Backbone interact. energy: -0.173
local terms energy: -150.592434
where:
bonds (distance) C4'-P energy: -24.990
bonds (distance) P-C4' energy: -23.945
flat angles C4'-P-C4' energy: -29.306
flat angles P-C4'-P energy: -23.601
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: 4, replica: 7
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -514.363536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.363536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.363536 (E_RNA)
where:
Base-Base interactions energy: -367.059
where: short stacking energy: -151.241
Base-Backbone interact. energy: -0.090
local terms energy: -147.213779
where:
bonds (distance) C4'-P energy: -30.121
bonds (distance) P-C4' energy: -27.985
flat angles C4'-P-C4' energy: -27.725
flat angles P-C4'-P energy: -14.251
tors. eta vs tors. theta energy: -47.132
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: 5, replica: 4
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -496.415272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.415272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.415272 (E_RNA)
where:
Base-Base interactions energy: -349.373
where: short stacking energy: -148.847
Base-Backbone interact. energy: -0.032
local terms energy: -147.009939
where:
bonds (distance) C4'-P energy: -26.711
bonds (distance) P-C4' energy: -22.402
flat angles C4'-P-C4' energy: -30.793
flat angles P-C4'-P energy: -19.626
tors. eta vs tors. theta energy: -47.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -440.178911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.178911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.178911 (E_RNA)
where:
Base-Base interactions energy: -311.561
where: short stacking energy: -132.032
Base-Backbone interact. energy: -0.014
local terms energy: -128.604683
where:
bonds (distance) C4'-P energy: -26.047
bonds (distance) P-C4' energy: -22.477
flat angles C4'-P-C4' energy: -30.169
flat angles P-C4'-P energy: -15.352
tors. eta vs tors. theta energy: -34.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -411.899857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.899857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.899857 (E_RNA)
where:
Base-Base interactions energy: -282.825
where: short stacking energy: -121.224
Base-Backbone interact. energy: -0.361
local terms energy: -128.713896
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -25.565
flat angles C4'-P-C4' energy: -30.599
flat angles P-C4'-P energy: -20.758
tors. eta vs tors. theta energy: -34.087
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: 1
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -347.365841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.365841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.365841 (E_RNA)
where:
Base-Base interactions energy: -237.293
where: short stacking energy: -104.407
Base-Backbone interact. energy: -0.013
local terms energy: -110.059794
where:
bonds (distance) C4'-P energy: -22.005
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -26.462
flat angles P-C4'-P energy: -16.851
tors. eta vs tors. theta energy: -22.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -340.472455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.472455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.472455 (E_RNA)
where:
Base-Base interactions energy: -222.051
where: short stacking energy: -92.854
Base-Backbone interact. energy: -0.186
local terms energy: -118.235578
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -23.335
flat angles C4'-P-C4' energy: -25.779
flat angles P-C4'-P energy: -17.304
tors. eta vs tors. theta energy: -31.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -128.047112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.047112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.047112 (E_RNA)
where:
Base-Base interactions energy: -43.677
where: short stacking energy: -43.677
Base-Backbone interact. energy: -0.131
local terms energy: -84.239247
where:
bonds (distance) C4'-P energy: -21.078
bonds (distance) P-C4' energy: -25.773
flat angles C4'-P-C4' energy: -20.724
flat angles P-C4'-P energy: -16.392
tors. eta vs tors. theta energy: -0.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -548.695853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.695853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.695853 (E_RNA)
where:
Base-Base interactions energy: -388.429
where: short stacking energy: -147.250
Base-Backbone interact. energy: -0.564
local terms energy: -159.702049
where:
bonds (distance) C4'-P energy: -29.418
bonds (distance) P-C4' energy: -27.617
flat angles C4'-P-C4' energy: -31.833
flat angles P-C4'-P energy: -27.293
tors. eta vs tors. theta energy: -43.542
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: 350
Temperature: 0.950000
Total energy: -531.734721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.734721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.734721 (E_RNA)
where:
Base-Base interactions energy: -382.340
where: short stacking energy: -165.553
Base-Backbone interact. energy: -0.764
local terms energy: -148.630496
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -27.620
flat angles C4'-P-C4' energy: -26.572
flat angles P-C4'-P energy: -22.266
tors. eta vs tors. theta energy: -50.906
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: 7
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -527.116816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.116816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.116816 (E_RNA)
where:
Base-Base interactions energy: -369.181
where: short stacking energy: -160.272
Base-Backbone interact. energy: -0.292
local terms energy: -157.643365
where:
bonds (distance) C4'-P energy: -28.040
bonds (distance) P-C4' energy: -28.802
flat angles C4'-P-C4' energy: -27.757
flat angles P-C4'-P energy: -24.608
tors. eta vs tors. theta energy: -48.437
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: 8
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -515.514728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.514728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.514728 (E_RNA)
where:
Base-Base interactions energy: -358.570
where: short stacking energy: -150.076
Base-Backbone interact. energy: -0.268
local terms energy: -156.676623
where:
bonds (distance) C4'-P energy: -26.585
bonds (distance) P-C4' energy: -31.084
flat angles C4'-P-C4' energy: -31.062
flat angles P-C4'-P energy: -20.330
tors. eta vs tors. theta energy: -47.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -497.661611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.661611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.661611 (E_RNA)
where:
Base-Base interactions energy: -354.167
where: short stacking energy: -156.331
Base-Backbone interact. energy: -0.514
local terms energy: -142.980703
where:
bonds (distance) C4'-P energy: -20.763
bonds (distance) P-C4' energy: -25.403
flat angles C4'-P-C4' energy: -31.962
flat angles P-C4'-P energy: -22.564
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: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -435.168123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.168123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.168123 (E_RNA)
where:
Base-Base interactions energy: -298.863
where: short stacking energy: -135.626
Base-Backbone interact. energy: -0.213
local terms energy: -136.092508
where:
bonds (distance) C4'-P energy: -19.563
bonds (distance) P-C4' energy: -23.796
flat angles C4'-P-C4' energy: -28.548
flat angles P-C4'-P energy: -22.095
tors. eta vs tors. theta energy: -42.090
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: 1
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -370.911051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.911051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.911051 (E_RNA)
where:
Base-Base interactions energy: -261.629
where: short stacking energy: -102.674
Base-Backbone interact. energy: -1.100
local terms energy: -108.182372
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -27.435
flat angles C4'-P-C4' energy: -26.450
flat angles P-C4'-P energy: -14.974
tors. eta vs tors. theta energy: -22.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -426.105370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.105370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.105370 (E_RNA)
where:
Base-Base interactions energy: -296.078
where: short stacking energy: -126.995
Base-Backbone interact. energy: -0.236
local terms energy: -129.790695
where:
bonds (distance) C4'-P energy: -20.151
bonds (distance) P-C4' energy: -22.802
flat angles C4'-P-C4' energy: -33.247
flat angles P-C4'-P energy: -15.926
tors. eta vs tors. theta energy: -37.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -323.141242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.141242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.141242 (E_RNA)
where:
Base-Base interactions energy: -210.121
where: short stacking energy: -89.765
Base-Backbone interact. energy: -0.860
local terms energy: -112.160562
where:
bonds (distance) C4'-P energy: -22.637
bonds (distance) P-C4' energy: -23.358
flat angles C4'-P-C4' energy: -28.479
flat angles P-C4'-P energy: -20.573
tors. eta vs tors. theta energy: -17.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -172.887144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.887144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.887144 (E_RNA)
where:
Base-Base interactions energy: -101.579
where: short stacking energy: -53.098
Base-Backbone interact. energy: 1.205
local terms energy: -72.513772
where:
bonds (distance) C4'-P energy: -23.170
bonds (distance) P-C4' energy: -25.692
flat angles C4'-P-C4' energy: -18.406
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: 3.086
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: 6
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -538.499234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.499234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.499234 (E_RNA)
where:
Base-Base interactions energy: -370.777
where: short stacking energy: -163.617
Base-Backbone interact. energy: -0.521
local terms energy: -167.201242
where:
bonds (distance) C4'-P energy: -31.239
bonds (distance) P-C4' energy: -30.066
flat angles C4'-P-C4' energy: -31.228
flat angles P-C4'-P energy: -26.832
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: 2, replica: 9
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -526.436234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.436234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.436234 (E_RNA)
where:
Base-Base interactions energy: -371.447
where: short stacking energy: -157.367
Base-Backbone interact. energy: -0.400
local terms energy: -154.589436
where:
bonds (distance) C4'-P energy: -25.191
bonds (distance) P-C4' energy: -28.805
flat angles C4'-P-C4' energy: -33.461
flat angles P-C4'-P energy: -19.529
tors. eta vs tors. theta energy: -47.602
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: 7
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -530.221089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.221089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.221089 (E_RNA)
where:
Base-Base interactions energy: -370.691
where: short stacking energy: -156.970
Base-Backbone interact. energy: -0.680
local terms energy: -158.850019
where:
bonds (distance) C4'-P energy: -27.658
bonds (distance) P-C4' energy: -30.899
flat angles C4'-P-C4' energy: -31.458
flat angles P-C4'-P energy: -21.767
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: 4, replica: 8
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -506.475680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.475680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.475680 (E_RNA)
where:
Base-Base interactions energy: -359.738
where: short stacking energy: -150.211
Base-Backbone interact. energy: -0.010
local terms energy: -146.727217
where:
bonds (distance) C4'-P energy: -28.558
bonds (distance) P-C4' energy: -26.313
flat angles C4'-P-C4' energy: -30.932
flat angles P-C4'-P energy: -15.646
tors. eta vs tors. theta energy: -45.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -491.471677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.471677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.471677 (E_RNA)
where:
Base-Base interactions energy: -341.343
where: short stacking energy: -134.322
Base-Backbone interact. energy: -0.004
local terms energy: -150.124287
where:
bonds (distance) C4'-P energy: -24.210
bonds (distance) P-C4' energy: -27.200
flat angles C4'-P-C4' energy: -30.397
flat angles P-C4'-P energy: -21.761
tors. eta vs tors. theta energy: -46.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -447.634555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.634555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.634555 (E_RNA)
where:
Base-Base interactions energy: -308.627
where: short stacking energy: -126.522
Base-Backbone interact. energy: -0.731
local terms energy: -138.275665
where:
bonds (distance) C4'-P energy: -21.153
bonds (distance) P-C4' energy: -26.852
flat angles C4'-P-C4' energy: -28.861
flat angles P-C4'-P energy: -24.156
tors. eta vs tors. theta energy: -37.254
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: 7, replica: 1
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -406.254299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.254299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.254299 (E_RNA)
where:
Base-Base interactions energy: -276.694
where: short stacking energy: -113.769
Base-Backbone interact. energy: -0.192
local terms energy: -129.367521
where:
bonds (distance) C4'-P energy: -22.161
bonds (distance) P-C4' energy: -29.925
flat angles C4'-P-C4' energy: -24.548
flat angles P-C4'-P energy: -20.697
tors. eta vs tors. theta energy: -32.037
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: 2
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -384.579027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.579027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.579027 (E_RNA)
where:
Base-Base interactions energy: -275.278
where: short stacking energy: -110.945
Base-Backbone interact. energy: -0.554
local terms energy: -108.746863
where:
bonds (distance) C4'-P energy: -23.337
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -29.378
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -29.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -322.394686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.394686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.394686 (E_RNA)
where:
Base-Base interactions energy: -199.376
where: short stacking energy: -87.637
Base-Backbone interact. energy: -0.883
local terms energy: -122.135380
where:
bonds (distance) C4'-P energy: -31.371
bonds (distance) P-C4' energy: -24.120
flat angles C4'-P-C4' energy: -28.748
flat angles P-C4'-P energy: -18.889
tors. eta vs tors. theta energy: -19.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -139.093824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.093824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.093824 (E_RNA)
where:
Base-Base interactions energy: -58.517
where: short stacking energy: -57.194
Base-Backbone interact. energy: -0.223
local terms energy: -80.353288
where:
bonds (distance) C4'-P energy: -21.672
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -25.389
flat angles P-C4'-P energy: -19.079
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: 9
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -526.224389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.224389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.224389 (E_RNA)
where:
Base-Base interactions energy: -379.758
where: short stacking energy: -162.861
Base-Backbone interact. energy: -0.119
local terms energy: -146.347487
where:
bonds (distance) C4'-P energy: -26.414
bonds (distance) P-C4' energy: -23.461
flat angles C4'-P-C4' energy: -31.308
flat angles P-C4'-P energy: -17.704
tors. eta vs tors. theta energy: -47.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -528.050065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.050065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.050065 (E_RNA)
where:
Base-Base interactions energy: -371.581
where: short stacking energy: -152.546
Base-Backbone interact. energy: -0.385
local terms energy: -156.084481
where:
bonds (distance) C4'-P energy: -23.435
bonds (distance) P-C4' energy: -30.732
flat angles C4'-P-C4' energy: -31.720
flat angles P-C4'-P energy: -22.822
tors. eta vs tors. theta energy: -47.375
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: 8
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -516.607308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.607308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.607308 (E_RNA)
where:
Base-Base interactions energy: -366.305
where: short stacking energy: -147.661
Base-Backbone interact. energy: -0.922
local terms energy: -149.380370
where:
bonds (distance) C4'-P energy: -24.533
bonds (distance) P-C4' energy: -24.492
flat angles C4'-P-C4' energy: -33.209
flat angles P-C4'-P energy: -22.112
tors. eta vs tors. theta energy: -45.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -503.001965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.001965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.001965 (E_RNA)
where:
Base-Base interactions energy: -354.972
where: short stacking energy: -145.826
Base-Backbone interact. energy: -0.140
local terms energy: -147.889951
where:
bonds (distance) C4'-P energy: -25.696
bonds (distance) P-C4' energy: -28.651
flat angles C4'-P-C4' energy: -31.991
flat angles P-C4'-P energy: -18.786
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: 5, replica: 4
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -490.929028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.929028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.929028 (E_RNA)
where:
Base-Base interactions energy: -345.400
where: short stacking energy: -150.176
Base-Backbone interact. energy: -0.329
local terms energy: -145.200210
where:
bonds (distance) C4'-P energy: -23.007
bonds (distance) P-C4' energy: -23.146
flat angles C4'-P-C4' energy: -32.432
flat angles P-C4'-P energy: -19.480
tors. eta vs tors. theta energy: -47.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -434.985828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.985828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.985828 (E_RNA)
where:
Base-Base interactions energy: -290.672
where: short stacking energy: -127.793
Base-Backbone interact. energy: -0.491
local terms energy: -143.823308
where:
bonds (distance) C4'-P energy: -26.375
bonds (distance) P-C4' energy: -26.035
flat angles C4'-P-C4' energy: -29.830
flat angles P-C4'-P energy: -23.483
tors. eta vs tors. theta energy: -38.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -452.783597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.783597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.783597 (E_RNA)
where:
Base-Base interactions energy: -303.365
where: short stacking energy: -140.609
Base-Backbone interact. energy: -0.058
local terms energy: -149.360519
where:
bonds (distance) C4'-P energy: -28.164
bonds (distance) P-C4' energy: -29.110
flat angles C4'-P-C4' energy: -32.441
flat angles P-C4'-P energy: -20.038
tors. eta vs tors. theta energy: -39.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -381.937693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.937693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.937693 (E_RNA)
where:
Base-Base interactions energy: -268.617
where: short stacking energy: -108.744
Base-Backbone interact. energy: -0.151
local terms energy: -113.169105
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -20.275
flat angles C4'-P-C4' energy: -29.826
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -30.827
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: 10
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -380.846575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.846575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.846575 (E_RNA)
where:
Base-Base interactions energy: -263.484
where: short stacking energy: -113.680
Base-Backbone interact. energy: -0.974
local terms energy: -116.389303
where:
bonds (distance) C4'-P energy: -22.204
bonds (distance) P-C4' energy: -22.776
flat angles C4'-P-C4' energy: -26.185
flat angles P-C4'-P energy: -17.232
tors. eta vs tors. theta energy: -27.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -130.763818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.763818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.763818 (E_RNA)
where:
Base-Base interactions energy: -38.964
where: short stacking energy: -37.300
Base-Backbone interact. energy: -0.590
local terms energy: -91.210621
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -28.346
flat angles C4'-P-C4' energy: -25.148
flat angles P-C4'-P energy: -18.814
tors. eta vs tors. theta energy: -3.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -536.281046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.281046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.281046 (E_RNA)
where:
Base-Base interactions energy: -378.324
where: short stacking energy: -157.720
Base-Backbone interact. energy: -0.570
local terms energy: -157.387083
where:
bonds (distance) C4'-P energy: -28.472
bonds (distance) P-C4' energy: -25.441
flat angles C4'-P-C4' energy: -31.140
flat angles P-C4'-P energy: -22.187
tors. eta vs tors. theta energy: -50.147
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: 8
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -531.232381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.232381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.232381 (E_RNA)
where:
Base-Base interactions energy: -377.616
where: short stacking energy: -158.447
Base-Backbone interact. energy: -0.145
local terms energy: -153.472184
where:
bonds (distance) C4'-P energy: -30.051
bonds (distance) P-C4' energy: -27.822
flat angles C4'-P-C4' energy: -27.818
flat angles P-C4'-P energy: -22.211
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: 6
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -526.912916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.912916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.912916 (E_RNA)
where:
Base-Base interactions energy: -382.733
where: short stacking energy: -153.038
Base-Backbone interact. energy: -0.591
local terms energy: -143.589138
where:
bonds (distance) C4'-P energy: -21.610
bonds (distance) P-C4' energy: -28.797
flat angles C4'-P-C4' energy: -25.559
flat angles P-C4'-P energy: -25.253
tors. eta vs tors. theta energy: -42.370
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: 4
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -501.342288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.342288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.342288 (E_RNA)
where:
Base-Base interactions energy: -355.458
where: short stacking energy: -143.218
Base-Backbone interact. energy: -0.002
local terms energy: -145.883030
where:
bonds (distance) C4'-P energy: -24.267
bonds (distance) P-C4' energy: -26.095
flat angles C4'-P-C4' energy: -31.190
flat angles P-C4'-P energy: -17.794
tors. eta vs tors. theta energy: -46.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -489.843445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.843445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.843445 (E_RNA)
where:
Base-Base interactions energy: -344.651
where: short stacking energy: -135.114
Base-Backbone interact. energy: -0.850
local terms energy: -144.342533
where:
bonds (distance) C4'-P energy: -27.251
bonds (distance) P-C4' energy: -28.699
flat angles C4'-P-C4' energy: -27.001
flat angles P-C4'-P energy: -19.513
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: 6, replica: 2
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -445.058212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.058212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.058212 (E_RNA)
where:
Base-Base interactions energy: -304.100
where: short stacking energy: -132.402
Base-Backbone interact. energy: -0.369
local terms energy: -140.590063
where:
bonds (distance) C4'-P energy: -29.240
bonds (distance) P-C4' energy: -28.138
flat angles C4'-P-C4' energy: -24.145
flat angles P-C4'-P energy: -21.214
tors. eta vs tors. theta energy: -37.853
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: 3
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -411.151690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.151690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.151690 (E_RNA)
where:
Base-Base interactions energy: -276.762
where: short stacking energy: -127.639
Base-Backbone interact. energy: -0.866
local terms energy: -133.523625
where:
bonds (distance) C4'-P energy: -30.514
bonds (distance) P-C4' energy: -25.409
flat angles C4'-P-C4' energy: -24.639
flat angles P-C4'-P energy: -21.219
tors. eta vs tors. theta energy: -31.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -391.661291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.661291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.661291 (E_RNA)
where:
Base-Base interactions energy: -274.542
where: short stacking energy: -109.728
Base-Backbone interact. energy: -0.756
local terms energy: -116.363443
where:
bonds (distance) C4'-P energy: -22.406
bonds (distance) P-C4' energy: -30.889
flat angles C4'-P-C4' energy: -22.790
flat angles P-C4'-P energy: -16.911
tors. eta vs tors. theta energy: -23.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -320.448494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.448494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.448494 (E_RNA)
where:
Base-Base interactions energy: -223.702
where: short stacking energy: -95.909
Base-Backbone interact. energy: -1.024
local terms energy: -95.722233
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -29.503
flat angles C4'-P-C4' energy: -22.524
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -17.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -140.482670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.482670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.482670 (E_RNA)
where:
Base-Base interactions energy: -40.349
where: short stacking energy: -40.816
Base-Backbone interact. energy: -0.409
local terms energy: -99.725517
where:
bonds (distance) C4'-P energy: -25.909
bonds (distance) P-C4' energy: -24.985
flat angles C4'-P-C4' energy: -29.115
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -7.275
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: 9
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -540.971465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.971465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.971465 (E_RNA)
where:
Base-Base interactions energy: -378.303
where: short stacking energy: -160.914
Base-Backbone interact. energy: -0.488
local terms energy: -162.179818
where:
bonds (distance) C4'-P energy: -25.581
bonds (distance) P-C4' energy: -33.325
flat angles C4'-P-C4' energy: -28.484
flat angles P-C4'-P energy: -23.417
tors. eta vs tors. theta energy: -51.373
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: 2, replica: 8
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -522.505335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.505335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.505335 (E_RNA)
where:
Base-Base interactions energy: -368.521
where: short stacking energy: -151.151
Base-Backbone interact. energy: -0.457
local terms energy: -153.526797
where:
bonds (distance) C4'-P energy: -33.207
bonds (distance) P-C4' energy: -24.795
flat angles C4'-P-C4' energy: -28.591
flat angles P-C4'-P energy: -23.812
tors. eta vs tors. theta energy: -43.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -513.564441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.564441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.564441 (E_RNA)
where:
Base-Base interactions energy: -363.954
where: short stacking energy: -151.640
Base-Backbone interact. energy: -0.804
local terms energy: -148.806580
where:
bonds (distance) C4'-P energy: -26.513
bonds (distance) P-C4' energy: -23.180
flat angles C4'-P-C4' energy: -31.323
flat angles P-C4'-P energy: -25.725
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: 6
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -515.558526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.558526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.558526 (E_RNA)
where:
Base-Base interactions energy: -370.724
where: short stacking energy: -158.874
Base-Backbone interact. energy: 0.170
local terms energy: -145.004471
where:
bonds (distance) C4'-P energy: -21.870
bonds (distance) P-C4' energy: -24.838
flat angles C4'-P-C4' energy: -30.941
flat angles P-C4'-P energy: -19.834
tors. eta vs tors. theta energy: -47.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -450.842325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.842325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.842325 (E_RNA)
where:
Base-Base interactions energy: -311.567
where: short stacking energy: -136.996
Base-Backbone interact. energy: -0.621
local terms energy: -138.654688
where:
bonds (distance) C4'-P energy: -26.880
bonds (distance) P-C4' energy: -27.888
flat angles C4'-P-C4' energy: -25.734
flat angles P-C4'-P energy: -18.652
tors. eta vs tors. theta energy: -39.502
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: 6, replica: 7
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -486.642443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.642443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.642443 (E_RNA)
where:
Base-Base interactions energy: -338.340
where: short stacking energy: -144.254
Base-Backbone interact. energy: -0.739
local terms energy: -147.563485
where:
bonds (distance) C4'-P energy: -25.529
bonds (distance) P-C4' energy: -25.161
flat angles C4'-P-C4' energy: -29.629
flat angles P-C4'-P energy: -24.147
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: 7, replica: 3
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -419.672608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.672608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.672608 (E_RNA)
where:
Base-Base interactions energy: -278.153
where: short stacking energy: -117.020
Base-Backbone interact. energy: -0.107
local terms energy: -141.412257
where:
bonds (distance) C4'-P energy: -24.573
bonds (distance) P-C4' energy: -26.184
flat angles C4'-P-C4' energy: -26.078
flat angles P-C4'-P energy: -24.720
tors. eta vs tors. theta energy: -39.857
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: 354
Temperature: 1.250000
Total energy: -380.279723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.279723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.279723 (E_RNA)
where:
Base-Base interactions energy: -269.865
where: short stacking energy: -109.117
Base-Backbone interact. energy: 2.145
local terms energy: -112.559655
where:
bonds (distance) C4'-P energy: -25.498
bonds (distance) P-C4' energy: -28.194
flat angles C4'-P-C4' energy: -18.517
flat angles P-C4'-P energy: -17.609
tors. eta vs tors. theta energy: -22.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -325.887709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.887709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.887709 (E_RNA)
where:
Base-Base interactions energy: -219.663
where: short stacking energy: -94.742
Base-Backbone interact. energy: -0.216
local terms energy: -106.009065
where:
bonds (distance) C4'-P energy: -19.371
bonds (distance) P-C4' energy: -19.892
flat angles C4'-P-C4' energy: -31.691
flat angles P-C4'-P energy: -16.286
tors. eta vs tors. theta energy: -18.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -132.794480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.794480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.794480 (E_RNA)
where:
Base-Base interactions energy: -44.399
where: short stacking energy: -44.217
Base-Backbone interact. energy: -0.151
local terms energy: -88.244665
where:
bonds (distance) C4'-P energy: -24.703
bonds (distance) P-C4' energy: -23.590
flat angles C4'-P-C4' energy: -25.978
flat angles P-C4'-P energy: -9.830
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: 1, replica: 9
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -538.283954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.283954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.283954 (E_RNA)
where:
Base-Base interactions energy: -378.908
where: short stacking energy: -150.306
Base-Backbone interact. energy: -0.333
local terms energy: -159.042506
where:
bonds (distance) C4'-P energy: -24.617
bonds (distance) P-C4' energy: -30.086
flat angles C4'-P-C4' energy: -33.658
flat angles P-C4'-P energy: -23.845
tors. eta vs tors. theta energy: -46.836
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: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -519.491547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.491547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.491547 (E_RNA)
where:
Base-Base interactions energy: -368.113
where: short stacking energy: -150.547
Base-Backbone interact. energy: -1.565
local terms energy: -149.813933
where:
bonds (distance) C4'-P energy: -28.239
bonds (distance) P-C4' energy: -26.495
flat angles C4'-P-C4' energy: -32.035
flat angles P-C4'-P energy: -20.161
tors. eta vs tors. theta energy: -42.884
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: 3, replica: 8
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -516.086373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.086373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.086373 (E_RNA)
where:
Base-Base interactions energy: -370.780
where: short stacking energy: -153.801
Base-Backbone interact. energy: -0.184
local terms energy: -145.122899
where:
bonds (distance) C4'-P energy: -24.918
bonds (distance) P-C4' energy: -27.305
flat angles C4'-P-C4' energy: -27.291
flat angles P-C4'-P energy: -22.438
tors. eta vs tors. theta energy: -43.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -508.692373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.692373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.692373 (E_RNA)
where:
Base-Base interactions energy: -363.127
where: short stacking energy: -153.397
Base-Backbone interact. energy: 0.499
local terms energy: -146.064383
where:
bonds (distance) C4'-P energy: -24.455
bonds (distance) P-C4' energy: -24.979
flat angles C4'-P-C4' energy: -26.123
flat angles P-C4'-P energy: -20.618
tors. eta vs tors. theta energy: -49.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -455.921830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.921830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.921830 (E_RNA)
where:
Base-Base interactions energy: -310.118
where: short stacking energy: -134.321
Base-Backbone interact. energy: -1.528
local terms energy: -144.276376
where:
bonds (distance) C4'-P energy: -27.183
bonds (distance) P-C4' energy: -28.376
flat angles C4'-P-C4' energy: -29.187
flat angles P-C4'-P energy: -19.748
tors. eta vs tors. theta energy: -39.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -482.751182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.751182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.751182 (E_RNA)
where:
Base-Base interactions energy: -344.495
where: short stacking energy: -136.522
Base-Backbone interact. energy: 0.947
local terms energy: -139.202903
where:
bonds (distance) C4'-P energy: -20.431
bonds (distance) P-C4' energy: -29.697
flat angles C4'-P-C4' energy: -26.545
flat angles P-C4'-P energy: -19.652
tors. eta vs tors. theta energy: -42.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -407.112972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.112972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.112972 (E_RNA)
where:
Base-Base interactions energy: -283.018
where: short stacking energy: -124.062
Base-Backbone interact. energy: 0.051
local terms energy: -124.145403
where:
bonds (distance) C4'-P energy: -27.605
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -32.362
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -34.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -404.459747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.459747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.459747 (E_RNA)
where:
Base-Base interactions energy: -279.758
where: short stacking energy: -117.667
Base-Backbone interact. energy: -0.896
local terms energy: -123.806286
where:
bonds (distance) C4'-P energy: -24.797
bonds (distance) P-C4' energy: -21.925
flat angles C4'-P-C4' energy: -29.690
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -30.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -320.140814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.140814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.140814 (E_RNA)
where:
Base-Base interactions energy: -226.973
where: short stacking energy: -91.980
Base-Backbone interact. energy: -0.517
local terms energy: -92.650317
where:
bonds (distance) C4'-P energy: -18.467
bonds (distance) P-C4' energy: -24.107
flat angles C4'-P-C4' energy: -23.356
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -12.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -133.579449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.579449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.579449 (E_RNA)
where:
Base-Base interactions energy: -51.770
where: short stacking energy: -51.652
Base-Backbone interact. energy: -0.162
local terms energy: -81.647407
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -25.551
flat angles C4'-P-C4' energy: -19.560
flat angles P-C4'-P energy: -15.019
tors. eta vs tors. theta energy: -3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -536.266326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.266326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.266326 (E_RNA)
where:
Base-Base interactions energy: -374.070
where: short stacking energy: -161.029
Base-Backbone interact. energy: -0.109
local terms energy: -162.086863
where:
bonds (distance) C4'-P energy: -30.399
bonds (distance) P-C4' energy: -31.231
flat angles C4'-P-C4' energy: -31.931
flat angles P-C4'-P energy: -19.876
tors. eta vs tors. theta energy: -48.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -525.297551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.297551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.297551 (E_RNA)
where:
Base-Base interactions energy: -372.555
where: short stacking energy: -155.641
Base-Backbone interact. energy: -0.318
local terms energy: -152.424536
where:
bonds (distance) C4'-P energy: -31.960
bonds (distance) P-C4' energy: -25.612
flat angles C4'-P-C4' energy: -24.694
flat angles P-C4'-P energy: -24.025
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: 6
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -512.229238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.229238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.229238 (E_RNA)
where:
Base-Base interactions energy: -355.930
where: short stacking energy: -146.309
Base-Backbone interact. energy: -0.143
local terms energy: -156.156110
where:
bonds (distance) C4'-P energy: -29.392
bonds (distance) P-C4' energy: -32.195
flat angles C4'-P-C4' energy: -29.926
flat angles P-C4'-P energy: -19.549
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: 8
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -512.389461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.389461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.389461 (E_RNA)
where:
Base-Base interactions energy: -353.352
where: short stacking energy: -146.403
Base-Backbone interact. energy: 0.757
local terms energy: -159.794646
where:
bonds (distance) C4'-P energy: -29.373
bonds (distance) P-C4' energy: -30.086
flat angles C4'-P-C4' energy: -30.160
flat angles P-C4'-P energy: -23.038
tors. eta vs tors. theta energy: -47.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -483.175301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.175301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.175301 (E_RNA)
where:
Base-Base interactions energy: -342.447
where: short stacking energy: -144.426
Base-Backbone interact. energy: 6.544
local terms energy: -147.271859
where:
bonds (distance) C4'-P energy: -28.727
bonds (distance) P-C4' energy: -30.534
flat angles C4'-P-C4' energy: -24.776
flat angles P-C4'-P energy: -17.234
tors. eta vs tors. theta energy: -46.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -417.887863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.887863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.887863 (E_RNA)
where:
Base-Base interactions energy: -291.233
where: short stacking energy: -133.575
Base-Backbone interact. energy: -0.016
local terms energy: -126.639025
where:
bonds (distance) C4'-P energy: -20.839
bonds (distance) P-C4' energy: -21.204
flat angles C4'-P-C4' energy: -28.265
flat angles P-C4'-P energy: -14.978
tors. eta vs tors. theta energy: -41.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -393.446179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.446179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.446179 (E_RNA)
where:
Base-Base interactions energy: -268.363
where: short stacking energy: -114.866
Base-Backbone interact. energy: -0.115
local terms energy: -124.967985
where:
bonds (distance) C4'-P energy: -22.381
bonds (distance) P-C4' energy: -26.622
flat angles C4'-P-C4' energy: -26.021
flat angles P-C4'-P energy: -17.892
tors. eta vs tors. theta energy: -32.052
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: 3
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -427.298713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.298713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.298713 (E_RNA)
where:
Base-Base interactions energy: -285.211
where: short stacking energy: -118.279
Base-Backbone interact. energy: -1.267
local terms energy: -140.821281
where:
bonds (distance) C4'-P energy: -25.818
bonds (distance) P-C4' energy: -25.345
flat angles C4'-P-C4' energy: -31.190
flat angles P-C4'-P energy: -20.890
tors. eta vs tors. theta energy: -37.578
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: 1
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -313.534055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.534055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.534055 (E_RNA)
where:
Base-Base interactions energy: -210.938
where: short stacking energy: -89.005
Base-Backbone interact. energy: 0.708
local terms energy: -103.304538
where:
bonds (distance) C4'-P energy: -18.179
bonds (distance) P-C4' energy: -29.798
flat angles C4'-P-C4' energy: -23.007
flat angles P-C4'-P energy: -21.536
tors. eta vs tors. theta energy: -10.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -128.731831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.731831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.731831 (E_RNA)
where:
Base-Base interactions energy: -39.643
where: short stacking energy: -39.643
Base-Backbone interact. energy: -0.529
local terms energy: -88.560332
where:
bonds (distance) C4'-P energy: -27.040
bonds (distance) P-C4' energy: -27.452
flat angles C4'-P-C4' energy: -20.314
flat angles P-C4'-P energy: -13.236
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: 9
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -535.955800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.955800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.955800 (E_RNA)
where:
Base-Base interactions energy: -388.670
where: short stacking energy: -147.701
Base-Backbone interact. energy: -0.143
local terms energy: -147.142116
where:
bonds (distance) C4'-P energy: -25.485
bonds (distance) P-C4' energy: -27.086
flat angles C4'-P-C4' energy: -28.428
flat angles P-C4'-P energy: -20.384
tors. eta vs tors. theta energy: -45.758
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: 6
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -520.872656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.872656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.872656 (E_RNA)
where:
Base-Base interactions energy: -366.895
where: short stacking energy: -145.827
Base-Backbone interact. energy: -0.200
local terms energy: -153.777514
where:
bonds (distance) C4'-P energy: -24.093
bonds (distance) P-C4' energy: -31.182
flat angles C4'-P-C4' energy: -28.945
flat angles P-C4'-P energy: -27.447
tors. eta vs tors. theta energy: -42.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -515.545343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.545343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.545343 (E_RNA)
where:
Base-Base interactions energy: -361.923
where: short stacking energy: -148.797
Base-Backbone interact. energy: -0.235
local terms energy: -153.387864
where:
bonds (distance) C4'-P energy: -23.826
bonds (distance) P-C4' energy: -30.594
flat angles C4'-P-C4' energy: -33.457
flat angles P-C4'-P energy: -21.750
tors. eta vs tors. theta energy: -43.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -518.642298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.642298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.642298 (E_RNA)
where:
Base-Base interactions energy: -369.666
where: short stacking energy: -157.135
Base-Backbone interact. energy: -0.010
local terms energy: -148.966842
where:
bonds (distance) C4'-P energy: -26.259
bonds (distance) P-C4' energy: -24.564
flat angles C4'-P-C4' energy: -32.983
flat angles P-C4'-P energy: -21.149
tors. eta vs tors. theta energy: -44.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -503.455527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.455527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.455527 (E_RNA)
where:
Base-Base interactions energy: -361.046
where: short stacking energy: -145.733
Base-Backbone interact. energy: -0.121
local terms energy: -142.289252
where:
bonds (distance) C4'-P energy: -20.677
bonds (distance) P-C4' energy: -28.393
flat angles C4'-P-C4' energy: -28.307
flat angles P-C4'-P energy: -23.564
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: 6, replica: 10
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -433.125478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.125478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.125478 (E_RNA)
where:
Base-Base interactions energy: -296.598
where: short stacking energy: -132.412
Base-Backbone interact. energy: -0.049
local terms energy: -136.478940
where:
bonds (distance) C4'-P energy: -25.458
bonds (distance) P-C4' energy: -26.001
flat angles C4'-P-C4' energy: -28.095
flat angles P-C4'-P energy: -17.554
tors. eta vs tors. theta energy: -39.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -437.325955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.325955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.325955 (E_RNA)
where:
Base-Base interactions energy: -292.480
where: short stacking energy: -130.973
Base-Backbone interact. energy: -0.106
local terms energy: -144.740197
where:
bonds (distance) C4'-P energy: -25.581
bonds (distance) P-C4' energy: -28.828
flat angles C4'-P-C4' energy: -33.128
flat angles P-C4'-P energy: -21.544
tors. eta vs tors. theta energy: -35.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -408.520759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.520759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.520759 (E_RNA)
where:
Base-Base interactions energy: -286.726
where: short stacking energy: -124.736
Base-Backbone interact. energy: -1.930
local terms energy: -119.865259
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -28.065
flat angles C4'-P-C4' energy: -24.937
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -40.387
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: 1
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -280.109134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.109134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.109134 (E_RNA)
where:
Base-Base interactions energy: -182.901
where: short stacking energy: -76.496
Base-Backbone interact. energy: 0.723
local terms energy: -97.930893
where:
bonds (distance) C4'-P energy: -26.163
bonds (distance) P-C4' energy: -30.785
flat angles C4'-P-C4' energy: -21.826
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -10.351
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: 10, replica: 5
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -128.857667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.857667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.857667 (E_RNA)
where:
Base-Base interactions energy: -55.864
where: short stacking energy: -54.154
Base-Backbone interact. energy: -0.522
local terms energy: -72.472357
where:
bonds (distance) C4'-P energy: -18.752
bonds (distance) P-C4' energy: -24.179
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -5.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -540.914048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.914048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.914048 (E_RNA)
where:
Base-Base interactions energy: -375.726
where: short stacking energy: -159.393
Base-Backbone interact. energy: -0.314
local terms energy: -164.874199
where:
bonds (distance) C4'-P energy: -26.848
bonds (distance) P-C4' energy: -31.000
flat angles C4'-P-C4' energy: -34.460
flat angles P-C4'-P energy: -26.418
tors. eta vs tors. theta energy: -46.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -525.203476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.203476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.203476 (E_RNA)
where:
Base-Base interactions energy: -376.740
where: short stacking energy: -157.165
Base-Backbone interact. energy: -1.137
local terms energy: -147.327055
where:
bonds (distance) C4'-P energy: -23.879
bonds (distance) P-C4' energy: -24.135
flat angles C4'-P-C4' energy: -29.635
flat angles P-C4'-P energy: -24.239
tors. eta vs tors. theta energy: -45.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -520.196700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.196700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.196700 (E_RNA)
where:
Base-Base interactions energy: -361.298
where: short stacking energy: -150.124
Base-Backbone interact. energy: 0.540
local terms energy: -159.438980
where:
bonds (distance) C4'-P energy: -28.260
bonds (distance) P-C4' energy: -29.220
flat angles C4'-P-C4' energy: -33.522
flat angles P-C4'-P energy: -21.076
tors. eta vs tors. theta energy: -47.362
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: 4
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -496.725819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.725819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.725819 (E_RNA)
where:
Base-Base interactions energy: -345.685
where: short stacking energy: -154.479
Base-Backbone interact. energy: -0.723
local terms energy: -150.317521
where:
bonds (distance) C4'-P energy: -24.748
bonds (distance) P-C4' energy: -26.989
flat angles C4'-P-C4' energy: -29.878
flat angles P-C4'-P energy: -22.997
tors. eta vs tors. theta energy: -45.706
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: 7
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -500.299533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.299533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.299533 (E_RNA)
where:
Base-Base interactions energy: -346.609
where: short stacking energy: -141.716
Base-Backbone interact. energy: -0.125
local terms energy: -153.565353
where:
bonds (distance) C4'-P energy: -25.207
bonds (distance) P-C4' energy: -26.645
flat angles C4'-P-C4' energy: -31.374
flat angles P-C4'-P energy: -24.011
tors. eta vs tors. theta energy: -46.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -436.635632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.635632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.635632 (E_RNA)
where:
Base-Base interactions energy: -314.396
where: short stacking energy: -129.508
Base-Backbone interact. energy: -0.154
local terms energy: -122.084934
where:
bonds (distance) C4'-P energy: -18.303
bonds (distance) P-C4' energy: -22.712
flat angles C4'-P-C4' energy: -28.821
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -39.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -417.635753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.635753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.635753 (E_RNA)
where:
Base-Base interactions energy: -292.061
where: short stacking energy: -130.252
Base-Backbone interact. energy: -0.059
local terms energy: -125.515960
where:
bonds (distance) C4'-P energy: -21.332
bonds (distance) P-C4' energy: -22.228
flat angles C4'-P-C4' energy: -24.532
flat angles P-C4'-P energy: -24.363
tors. eta vs tors. theta energy: -33.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -417.516479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.516479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.516479 (E_RNA)
where:
Base-Base interactions energy: -293.387
where: short stacking energy: -129.696
Base-Backbone interact. energy: -0.643
local terms energy: -123.486559
where:
bonds (distance) C4'-P energy: -20.126
bonds (distance) P-C4' energy: -22.060
flat angles C4'-P-C4' energy: -25.394
flat angles P-C4'-P energy: -19.724
tors. eta vs tors. theta energy: -36.182
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: 9, replica: 1
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -269.875180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.875180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.875180 (E_RNA)
where:
Base-Base interactions energy: -177.502
where: short stacking energy: -81.131
Base-Backbone interact. energy: -0.526
local terms energy: -91.847086
where:
bonds (distance) C4'-P energy: -23.184
bonds (distance) P-C4' energy: -28.384
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -8.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -130.496616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.496616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.496616 (E_RNA)
where:
Base-Base interactions energy: -37.544
where: short stacking energy: -31.143
Base-Backbone interact. energy: -0.832
local terms energy: -92.120678
where:
bonds (distance) C4'-P energy: -23.592
bonds (distance) P-C4' energy: -28.868
flat angles C4'-P-C4' energy: -28.303
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: 1.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -534.092375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.092375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.092375 (E_RNA)
where:
Base-Base interactions energy: -369.683
where: short stacking energy: -149.797
Base-Backbone interact. energy: 0.260
local terms energy: -164.669577
where:
bonds (distance) C4'-P energy: -32.743
bonds (distance) P-C4' energy: -29.200
flat angles C4'-P-C4' energy: -31.495
flat angles P-C4'-P energy: -20.929
tors. eta vs tors. theta energy: -50.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -528.619379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.619379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.619379 (E_RNA)
where:
Base-Base interactions energy: -363.804
where: short stacking energy: -152.745
Base-Backbone interact. energy: -0.188
local terms energy: -164.626771
where:
bonds (distance) C4'-P energy: -29.758
bonds (distance) P-C4' energy: -28.300
flat angles C4'-P-C4' energy: -34.959
flat angles P-C4'-P energy: -25.075
tors. eta vs tors. theta energy: -46.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -521.628013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.628013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.628013 (E_RNA)
where:
Base-Base interactions energy: -363.692
where: short stacking energy: -157.077
Base-Backbone interact. energy: -0.318
local terms energy: -157.618079
where:
bonds (distance) C4'-P energy: -27.531
bonds (distance) P-C4' energy: -26.772
flat angles C4'-P-C4' energy: -28.031
flat angles P-C4'-P energy: -27.547
tors. eta vs tors. theta energy: -47.737
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: 7
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -518.928116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.928116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.928116 (E_RNA)
where:
Base-Base interactions energy: -361.137
where: short stacking energy: -149.483
Base-Backbone interact. energy: -0.239
local terms energy: -157.552236
where:
bonds (distance) C4'-P energy: -29.729
bonds (distance) P-C4' energy: -31.581
flat angles C4'-P-C4' energy: -32.266
flat angles P-C4'-P energy: -18.542
tors. eta vs tors. theta energy: -45.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -484.278944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.278944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.278944 (E_RNA)
where:
Base-Base interactions energy: -346.583
where: short stacking energy: -146.297
Base-Backbone interact. energy: -0.798
local terms energy: -136.897540
where:
bonds (distance) C4'-P energy: -17.524
bonds (distance) P-C4' energy: -25.456
flat angles C4'-P-C4' energy: -29.251
flat angles P-C4'-P energy: -18.815
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: 6, replica: 10
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -435.786966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.786966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.786966 (E_RNA)
where:
Base-Base interactions energy: -295.421
where: short stacking energy: -121.837
Base-Backbone interact. energy: -0.251
local terms energy: -140.115163
where:
bonds (distance) C4'-P energy: -17.383
bonds (distance) P-C4' energy: -29.546
flat angles C4'-P-C4' energy: -31.742
flat angles P-C4'-P energy: -20.373
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: 7, replica: 3
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -409.805405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.805405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.805405 (E_RNA)
where:
Base-Base interactions energy: -281.272
where: short stacking energy: -121.833
Base-Backbone interact. energy: -2.100
local terms energy: -126.433616
where:
bonds (distance) C4'-P energy: -20.178
bonds (distance) P-C4' energy: -26.255
flat angles C4'-P-C4' energy: -27.111
flat angles P-C4'-P energy: -16.220
tors. eta vs tors. theta energy: -36.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -419.361264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.361264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.361264 (E_RNA)
where:
Base-Base interactions energy: -304.556
where: short stacking energy: -132.081
Base-Backbone interact. energy: -1.824
local terms energy: -112.981192
where:
bonds (distance) C4'-P energy: -22.017
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -21.243
flat angles P-C4'-P energy: -21.152
tors. eta vs tors. theta energy: -32.742
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: 359
Temperature: 1.300000
Total energy: -311.638359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.638359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.638359 (E_RNA)
where:
Base-Base interactions energy: -203.900
where: short stacking energy: -94.272
Base-Backbone interact. energy: -0.719
local terms energy: -107.019251
where:
bonds (distance) C4'-P energy: -21.286
bonds (distance) P-C4' energy: -27.189
flat angles C4'-P-C4' energy: -23.377
flat angles P-C4'-P energy: -16.589
tors. eta vs tors. theta energy: -18.579
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: 5
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -144.219832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.219832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.219832 (E_RNA)
where:
Base-Base interactions energy: -55.224
where: short stacking energy: -42.591
Base-Backbone interact. energy: -0.460
local terms energy: -88.535405
where:
bonds (distance) C4'-P energy: -22.736
bonds (distance) P-C4' energy: -23.391
flat angles C4'-P-C4' energy: -23.436
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -4.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -531.985128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.985128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.985128 (E_RNA)
where:
Base-Base interactions energy: -378.324
where: short stacking energy: -162.207
Base-Backbone interact. energy: -0.081
local terms energy: -153.580983
where:
bonds (distance) C4'-P energy: -27.840
bonds (distance) P-C4' energy: -25.651
flat angles C4'-P-C4' energy: -32.122
flat angles P-C4'-P energy: -22.221
tors. eta vs tors. theta energy: -45.748
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: 360
Temperature: 0.950000
Total energy: -532.432729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.432729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.432729 (E_RNA)
where:
Base-Base interactions energy: -377.573
where: short stacking energy: -162.418
Base-Backbone interact. energy: -0.023
local terms energy: -154.837157
where:
bonds (distance) C4'-P energy: -24.745
bonds (distance) P-C4' energy: -27.197
flat angles C4'-P-C4' energy: -30.624
flat angles P-C4'-P energy: -23.475
tors. eta vs tors. theta energy: -48.796
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: 7
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -521.331992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.331992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.331992 (E_RNA)
where:
Base-Base interactions energy: -364.094
where: short stacking energy: -156.221
Base-Backbone interact. energy: -0.012
local terms energy: -157.225539
where:
bonds (distance) C4'-P energy: -28.524
bonds (distance) P-C4' energy: -28.981
flat angles C4'-P-C4' energy: -29.625
flat angles P-C4'-P energy: -21.996
tors. eta vs tors. theta energy: -48.099
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: 6
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -511.361493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.361493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.361493 (E_RNA)
where:
Base-Base interactions energy: -364.311
where: short stacking energy: -146.372
Base-Backbone interact. energy: -0.251
local terms energy: -146.798999
where:
bonds (distance) C4'-P energy: -24.583
bonds (distance) P-C4' energy: -26.986
flat angles C4'-P-C4' energy: -35.924
flat angles P-C4'-P energy: -18.224
tors. eta vs tors. theta energy: -41.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -485.461304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.461304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.461304 (E_RNA)
where:
Base-Base interactions energy: -348.005
where: short stacking energy: -152.577
Base-Backbone interact. energy: -0.712
local terms energy: -136.744053
where:
bonds (distance) C4'-P energy: -17.781
bonds (distance) P-C4' energy: -23.124
flat angles C4'-P-C4' energy: -33.500
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -48.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -442.649144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.649144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.649144 (E_RNA)
where:
Base-Base interactions energy: -295.526
where: short stacking energy: -126.807
Base-Backbone interact. energy: -0.100
local terms energy: -147.022956
where:
bonds (distance) C4'-P energy: -24.922
bonds (distance) P-C4' energy: -25.366
flat angles C4'-P-C4' energy: -33.386
flat angles P-C4'-P energy: -25.878
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: 7, replica: 2
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -446.250942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.250942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.250942 (E_RNA)
where:
Base-Base interactions energy: -302.173
where: short stacking energy: -127.192
Base-Backbone interact. energy: -0.670
local terms energy: -143.408184
where:
bonds (distance) C4'-P energy: -25.928
bonds (distance) P-C4' energy: -29.481
flat angles C4'-P-C4' energy: -30.868
flat angles P-C4'-P energy: -16.198
tors. eta vs tors. theta energy: -40.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -401.404737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.404737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.404737 (E_RNA)
where:
Base-Base interactions energy: -263.028
where: short stacking energy: -110.799
Base-Backbone interact. energy: -1.119
local terms energy: -137.258132
where:
bonds (distance) C4'-P energy: -24.484
bonds (distance) P-C4' energy: -27.537
flat angles C4'-P-C4' energy: -25.136
flat angles P-C4'-P energy: -22.797
tors. eta vs tors. theta energy: -37.305
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: 1
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -359.878624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.878624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.878624 (E_RNA)
where:
Base-Base interactions energy: -249.913
where: short stacking energy: -116.160
Base-Backbone interact. energy: -1.053
local terms energy: -108.912249
where:
bonds (distance) C4'-P energy: -21.997
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -20.047
flat angles P-C4'-P energy: -19.212
tors. eta vs tors. theta energy: -29.977
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: 5
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -137.469732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.469732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.469732 (E_RNA)
where:
Base-Base interactions energy: -41.532
where: short stacking energy: -39.423
Base-Backbone interact. energy: -0.115
local terms energy: -95.822996
where:
bonds (distance) C4'-P energy: -26.984
bonds (distance) P-C4' energy: -27.121
flat angles C4'-P-C4' energy: -23.579
flat angles P-C4'-P energy: -18.014
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: 361
Temperature: 0.900000
Total energy: -539.179918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.179918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.179918 (E_RNA)
where:
Base-Base interactions energy: -379.309
where: short stacking energy: -164.591
Base-Backbone interact. energy: -0.205
local terms energy: -159.666073
where:
bonds (distance) C4'-P energy: -28.823
bonds (distance) P-C4' energy: -32.735
flat angles C4'-P-C4' energy: -27.048
flat angles P-C4'-P energy: -22.203
tors. eta vs tors. theta energy: -48.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -525.221285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.221285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.221285 (E_RNA)
where:
Base-Base interactions energy: -366.214
where: short stacking energy: -148.557
Base-Backbone interact. energy: 1.135
local terms energy: -160.142742
where:
bonds (distance) C4'-P energy: -30.942
bonds (distance) P-C4' energy: -28.044
flat angles C4'-P-C4' energy: -28.618
flat angles P-C4'-P energy: -27.827
tors. eta vs tors. theta energy: -44.712
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: 9
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -527.911802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.911802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.911802 (E_RNA)
where:
Base-Base interactions energy: -366.001
where: short stacking energy: -151.227
Base-Backbone interact. energy: -0.850
local terms energy: -161.060615
where:
bonds (distance) C4'-P energy: -26.579
bonds (distance) P-C4' energy: -28.073
flat angles C4'-P-C4' energy: -35.567
flat angles P-C4'-P energy: -22.748
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: 4
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -501.321242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.321242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.321242 (E_RNA)
where:
Base-Base interactions energy: -355.031
where: short stacking energy: -147.610
Base-Backbone interact. energy: -0.133
local terms energy: -146.157527
where:
bonds (distance) C4'-P energy: -25.787
bonds (distance) P-C4' energy: -24.591
flat angles C4'-P-C4' energy: -31.652
flat angles P-C4'-P energy: -16.905
tors. eta vs tors. theta energy: -47.223
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: 361
Temperature: 1.100000
Total energy: -512.095381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.095381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.095381 (E_RNA)
where:
Base-Base interactions energy: -364.110
where: short stacking energy: -147.414
Base-Backbone interact. energy: -0.758
local terms energy: -147.227243
where:
bonds (distance) C4'-P energy: -26.020
bonds (distance) P-C4' energy: -28.689
flat angles C4'-P-C4' energy: -28.334
flat angles P-C4'-P energy: -23.094
tors. eta vs tors. theta energy: -41.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -459.647048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.647048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.647048 (E_RNA)
where:
Base-Base interactions energy: -310.384
where: short stacking energy: -143.148
Base-Backbone interact. energy: -0.309
local terms energy: -148.953726
where:
bonds (distance) C4'-P energy: -27.835
bonds (distance) P-C4' energy: -25.348
flat angles C4'-P-C4' energy: -29.922
flat angles P-C4'-P energy: -19.635
tors. eta vs tors. theta energy: -46.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -423.393994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.393994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.393994 (E_RNA)
where:
Base-Base interactions energy: -295.018
where: short stacking energy: -126.121
Base-Backbone interact. energy: -0.317
local terms energy: -128.058586
where:
bonds (distance) C4'-P energy: -26.240
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -26.295
flat angles P-C4'-P energy: -21.105
tors. eta vs tors. theta energy: -37.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -382.307782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.307782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.307782 (E_RNA)
where:
Base-Base interactions energy: -259.399
where: short stacking energy: -108.766
Base-Backbone interact. energy: -0.236
local terms energy: -122.672517
where:
bonds (distance) C4'-P energy: -25.385
bonds (distance) P-C4' energy: -31.415
flat angles C4'-P-C4' energy: -22.925
flat angles P-C4'-P energy: -18.642
tors. eta vs tors. theta energy: -24.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -371.131066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.131066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.131066 (E_RNA)
where:
Base-Base interactions energy: -249.277
where: short stacking energy: -99.623
Base-Backbone interact. energy: -0.650
local terms energy: -121.204166
where:
bonds (distance) C4'-P energy: -32.722
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -25.970
flat angles P-C4'-P energy: -20.066
tors. eta vs tors. theta energy: -19.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -134.776813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.776813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.776813 (E_RNA)
where:
Base-Base interactions energy: -57.524
where: short stacking energy: -40.688
Base-Backbone interact. energy: -0.239
local terms energy: -77.012928
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -21.353
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -6.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -545.119150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.119150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.119150 (E_RNA)
where:
Base-Base interactions energy: -390.309
where: short stacking energy: -159.671
Base-Backbone interact. energy: -0.052
local terms energy: -154.757638
where:
bonds (distance) C4'-P energy: -28.553
bonds (distance) P-C4' energy: -26.341
flat angles C4'-P-C4' energy: -33.335
flat angles P-C4'-P energy: -23.678
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: 2, replica: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -528.290234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.290234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.290234 (E_RNA)
where:
Base-Base interactions energy: -377.281
where: short stacking energy: -160.809
Base-Backbone interact. energy: -0.001
local terms energy: -151.007788
where:
bonds (distance) C4'-P energy: -20.747
bonds (distance) P-C4' energy: -26.988
flat angles C4'-P-C4' energy: -30.822
flat angles P-C4'-P energy: -24.697
tors. eta vs tors. theta energy: -47.754
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: 4
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -513.175889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.175889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.175889 (E_RNA)
where:
Base-Base interactions energy: -354.358
where: short stacking energy: -150.280
Base-Backbone interact. energy: -0.030
local terms energy: -158.787829
where:
bonds (distance) C4'-P energy: -30.392
bonds (distance) P-C4' energy: -27.386
flat angles C4'-P-C4' energy: -32.888
flat angles P-C4'-P energy: -20.599
tors. eta vs tors. theta energy: -47.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -509.273088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.273088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.273088 (E_RNA)
where:
Base-Base interactions energy: -354.418
where: short stacking energy: -143.916
Base-Backbone interact. energy: -0.084
local terms energy: -154.771406
where:
bonds (distance) C4'-P energy: -29.071
bonds (distance) P-C4' energy: -29.854
flat angles C4'-P-C4' energy: -29.177
flat angles P-C4'-P energy: -24.399
tors. eta vs tors. theta energy: -42.270
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: 5, replica: 2
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -462.726857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.726857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.726857 (E_RNA)
where:
Base-Base interactions energy: -324.218
where: short stacking energy: -137.838
Base-Backbone interact. energy: -0.001
local terms energy: -138.507502
where:
bonds (distance) C4'-P energy: -23.429
bonds (distance) P-C4' energy: -23.777
flat angles C4'-P-C4' energy: -30.707
flat angles P-C4'-P energy: -17.719
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: 6, replica: 6
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -505.758729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.758729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.758729 (E_RNA)
where:
Base-Base interactions energy: -361.159
where: short stacking energy: -148.129
Base-Backbone interact. energy: -0.806
local terms energy: -143.793910
where:
bonds (distance) C4'-P energy: -31.322
bonds (distance) P-C4' energy: -23.899
flat angles C4'-P-C4' energy: -28.259
flat angles P-C4'-P energy: -18.940
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: 7, replica: 3
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -413.122891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.122891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.122891 (E_RNA)
where:
Base-Base interactions energy: -277.338
where: short stacking energy: -119.192
Base-Backbone interact. energy: -1.636
local terms energy: -134.148092
where:
bonds (distance) C4'-P energy: -22.396
bonds (distance) P-C4' energy: -27.709
flat angles C4'-P-C4' energy: -29.546
flat angles P-C4'-P energy: -16.769
tors. eta vs tors. theta energy: -37.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -419.267034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.267034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.267034 (E_RNA)
where:
Base-Base interactions energy: -294.922
where: short stacking energy: -130.543
Base-Backbone interact. energy: -0.276
local terms energy: -124.068751
where:
bonds (distance) C4'-P energy: -25.369
bonds (distance) P-C4' energy: -25.186
flat angles C4'-P-C4' energy: -27.791
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -32.293
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: 1
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -373.519107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.519107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.519107 (E_RNA)
where:
Base-Base interactions energy: -249.361
where: short stacking energy: -99.204
Base-Backbone interact. energy: -0.854
local terms energy: -123.304508
where:
bonds (distance) C4'-P energy: -29.148
bonds (distance) P-C4' energy: -23.246
flat angles C4'-P-C4' energy: -26.930
flat angles P-C4'-P energy: -15.851
tors. eta vs tors. theta energy: -28.130
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: 5
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -147.031740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.031740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.031740 (E_RNA)
where:
Base-Base interactions energy: -63.118
where: short stacking energy: -43.893
Base-Backbone interact. energy: -0.902
local terms energy: -83.011203
where:
bonds (distance) C4'-P energy: -23.217
bonds (distance) P-C4' energy: -28.449
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -5.920
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: 7
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -544.032468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.032468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.032468 (E_RNA)
where:
Base-Base interactions energy: -392.925
where: short stacking energy: -151.764
Base-Backbone interact. energy: -0.113
local terms energy: -150.994454
where:
bonds (distance) C4'-P energy: -29.253
bonds (distance) P-C4' energy: -22.852
flat angles C4'-P-C4' energy: -30.369
flat angles P-C4'-P energy: -24.953
tors. eta vs tors. theta energy: -43.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -514.867406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.867406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.867406 (E_RNA)
where:
Base-Base interactions energy: -356.457
where: short stacking energy: -156.343
Base-Backbone interact. energy: -0.586
local terms energy: -157.824967
where:
bonds (distance) C4'-P energy: -26.823
bonds (distance) P-C4' energy: -29.211
flat angles C4'-P-C4' energy: -33.725
flat angles P-C4'-P energy: -18.629
tors. eta vs tors. theta energy: -49.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -515.926133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.926133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.926133 (E_RNA)
where:
Base-Base interactions energy: -365.938
where: short stacking energy: -145.600
Base-Backbone interact. energy: -0.111
local terms energy: -149.877370
where:
bonds (distance) C4'-P energy: -22.215
bonds (distance) P-C4' energy: -28.381
flat angles C4'-P-C4' energy: -31.707
flat angles P-C4'-P energy: -24.737
tors. eta vs tors. theta energy: -42.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -514.007304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.007304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.007304 (E_RNA)
where:
Base-Base interactions energy: -367.127
where: short stacking energy: -150.187
Base-Backbone interact. energy: -0.102
local terms energy: -146.777969
where:
bonds (distance) C4'-P energy: -20.261
bonds (distance) P-C4' energy: -31.443
flat angles C4'-P-C4' energy: -33.950
flat angles P-C4'-P energy: -17.900
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: 5, replica: 2
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -457.003774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.003774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.003774 (E_RNA)
where:
Base-Base interactions energy: -321.604
where: short stacking energy: -134.379
Base-Backbone interact. energy: -0.200
local terms energy: -135.200246
where:
bonds (distance) C4'-P energy: -29.645
bonds (distance) P-C4' energy: -19.549
flat angles C4'-P-C4' energy: -25.636
flat angles P-C4'-P energy: -20.751
tors. eta vs tors. theta energy: -39.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -495.700495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.700495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.700495 (E_RNA)
where:
Base-Base interactions energy: -353.084
where: short stacking energy: -151.080
Base-Backbone interact. energy: -0.554
local terms energy: -142.063016
where:
bonds (distance) C4'-P energy: -22.769
bonds (distance) P-C4' energy: -26.453
flat angles C4'-P-C4' energy: -27.697
flat angles P-C4'-P energy: -24.075
tors. eta vs tors. theta energy: -41.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -362.730153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.730153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.730153 (E_RNA)
where:
Base-Base interactions energy: -249.073
where: short stacking energy: -99.686
Base-Backbone interact. energy: -0.400
local terms energy: -113.257416
where:
bonds (distance) C4'-P energy: -20.925
bonds (distance) P-C4' energy: -27.493
flat angles C4'-P-C4' energy: -24.695
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -27.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -398.957408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.957408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.957408 (E_RNA)
where:
Base-Base interactions energy: -274.983
where: short stacking energy: -109.527
Base-Backbone interact. energy: -1.133
local terms energy: -122.840924
where:
bonds (distance) C4'-P energy: -24.358
bonds (distance) P-C4' energy: -24.978
flat angles C4'-P-C4' energy: -24.903
flat angles P-C4'-P energy: -14.010
tors. eta vs tors. theta energy: -34.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -332.234406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.234406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.234406 (E_RNA)
where:
Base-Base interactions energy: -235.300
where: short stacking energy: -93.539
Base-Backbone interact. energy: 2.615
local terms energy: -99.548672
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -22.680
flat angles C4'-P-C4' energy: -27.625
flat angles P-C4'-P energy: -15.823
tors. eta vs tors. theta energy: -17.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -130.257572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.257572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.257572 (E_RNA)
where:
Base-Base interactions energy: -57.203
where: short stacking energy: -54.122
Base-Backbone interact. energy: 1.350
local terms energy: -74.404080
where:
bonds (distance) C4'-P energy: -23.664
bonds (distance) P-C4' energy: -18.170
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -14.689
tors. eta vs tors. theta energy: -2.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -535.020082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.020082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.020082 (E_RNA)
where:
Base-Base interactions energy: -384.580
where: short stacking energy: -164.785
Base-Backbone interact. energy: -0.048
local terms energy: -150.392405
where:
bonds (distance) C4'-P energy: -27.629
bonds (distance) P-C4' energy: -25.688
flat angles C4'-P-C4' energy: -30.567
flat angles P-C4'-P energy: -21.078
tors. eta vs tors. theta energy: -45.430
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: 4
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -525.347513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.347513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.347513 (E_RNA)
where:
Base-Base interactions energy: -374.329
where: short stacking energy: -155.618
Base-Backbone interact. energy: -1.167
local terms energy: -149.851539
where:
bonds (distance) C4'-P energy: -30.905
bonds (distance) P-C4' energy: -26.356
flat angles C4'-P-C4' energy: -32.120
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -46.417
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: 3, replica: 9
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -509.367945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.367945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.367945 (E_RNA)
where:
Base-Base interactions energy: -371.104
where: short stacking energy: -153.198
Base-Backbone interact. energy: -0.614
local terms energy: -137.650390
where:
bonds (distance) C4'-P energy: -21.660
bonds (distance) P-C4' energy: -26.057
flat angles C4'-P-C4' energy: -26.854
flat angles P-C4'-P energy: -22.527
tors. eta vs tors. theta energy: -40.553
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: 8
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -507.042192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.042192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.042192 (E_RNA)
where:
Base-Base interactions energy: -360.023
where: short stacking energy: -152.821
Base-Backbone interact. energy: -0.644
local terms energy: -146.376007
where:
bonds (distance) C4'-P energy: -26.636
bonds (distance) P-C4' energy: -24.534
flat angles C4'-P-C4' energy: -28.769
flat angles P-C4'-P energy: -21.452
tors. eta vs tors. theta energy: -44.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -505.911425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.911425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.911425 (E_RNA)
where:
Base-Base interactions energy: -365.191
where: short stacking energy: -146.971
Base-Backbone interact. energy: -0.036
local terms energy: -140.684582
where:
bonds (distance) C4'-P energy: -20.462
bonds (distance) P-C4' energy: -28.944
flat angles C4'-P-C4' energy: -32.873
flat angles P-C4'-P energy: -17.945
tors. eta vs tors. theta energy: -40.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -442.587996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.587996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.587996 (E_RNA)
where:
Base-Base interactions energy: -297.618
where: short stacking energy: -134.845
Base-Backbone interact. energy: -0.473
local terms energy: -144.497429
where:
bonds (distance) C4'-P energy: -27.762
bonds (distance) P-C4' energy: -24.299
flat angles C4'-P-C4' energy: -33.849
flat angles P-C4'-P energy: -15.467
tors. eta vs tors. theta energy: -43.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -419.298671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.298671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.298671 (E_RNA)
where:
Base-Base interactions energy: -299.225
where: short stacking energy: -124.623
Base-Backbone interact. energy: 0.407
local terms energy: -120.480202
where:
bonds (distance) C4'-P energy: -20.984
bonds (distance) P-C4' energy: -29.622
flat angles C4'-P-C4' energy: -19.382
flat angles P-C4'-P energy: -20.480
tors. eta vs tors. theta energy: -30.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -366.920020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.920020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.920020 (E_RNA)
where:
Base-Base interactions energy: -244.687
where: short stacking energy: -106.785
Base-Backbone interact. energy: 0.980
local terms energy: -123.213094
where:
bonds (distance) C4'-P energy: -25.170
bonds (distance) P-C4' energy: -27.084
flat angles C4'-P-C4' energy: -28.312
flat angles P-C4'-P energy: -14.540
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: 9, replica: 1
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -351.833283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.833283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.833283 (E_RNA)
where:
Base-Base interactions energy: -241.302
where: short stacking energy: -109.395
Base-Backbone interact. energy: 0.832
local terms energy: -111.362841
where:
bonds (distance) C4'-P energy: -16.630
bonds (distance) P-C4' energy: -21.215
flat angles C4'-P-C4' energy: -30.984
flat angles P-C4'-P energy: -20.686
tors. eta vs tors. theta energy: -21.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -151.046888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.046888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.046888 (E_RNA)
where:
Base-Base interactions energy: -79.134
where: short stacking energy: -49.257
Base-Backbone interact. energy: 1.115
local terms energy: -73.027065
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -21.251
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -2.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -534.957379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.957379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.957379 (E_RNA)
where:
Base-Base interactions energy: -384.299
where: short stacking energy: -155.806
Base-Backbone interact. energy: -0.314
local terms energy: -150.345322
where:
bonds (distance) C4'-P energy: -26.855
bonds (distance) P-C4' energy: -24.328
flat angles C4'-P-C4' energy: -29.070
flat angles P-C4'-P energy: -23.363
tors. eta vs tors. theta energy: -46.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -530.303943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.303943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.303943 (E_RNA)
where:
Base-Base interactions energy: -370.944
where: short stacking energy: -149.840
Base-Backbone interact. energy: -0.038
local terms energy: -159.321726
where:
bonds (distance) C4'-P energy: -25.621
bonds (distance) P-C4' energy: -31.859
flat angles C4'-P-C4' energy: -28.606
flat angles P-C4'-P energy: -29.625
tors. eta vs tors. theta energy: -43.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -519.964656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.964656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.964656 (E_RNA)
where:
Base-Base interactions energy: -370.041
where: short stacking energy: -150.424
Base-Backbone interact. energy: -0.726
local terms energy: -149.197319
where:
bonds (distance) C4'-P energy: -33.011
bonds (distance) P-C4' energy: -24.996
flat angles C4'-P-C4' energy: -30.210
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: -47.251
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: 4, replica: 8
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -517.336663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.336663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.336663 (E_RNA)
where:
Base-Base interactions energy: -370.264
where: short stacking energy: -155.358
Base-Backbone interact. energy: 0.086
local terms energy: -147.158953
where:
bonds (distance) C4'-P energy: -26.662
bonds (distance) P-C4' energy: -25.347
flat angles C4'-P-C4' energy: -27.737
flat angles P-C4'-P energy: -18.754
tors. eta vs tors. theta energy: -48.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -497.459965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.459965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.459965 (E_RNA)
where:
Base-Base interactions energy: -354.208
where: short stacking energy: -150.129
Base-Backbone interact. energy: -0.328
local terms energy: -142.924360
where:
bonds (distance) C4'-P energy: -20.394
bonds (distance) P-C4' energy: -28.390
flat angles C4'-P-C4' energy: -30.966
flat angles P-C4'-P energy: -19.715
tors. eta vs tors. theta energy: -43.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -447.521008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.521008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.521008 (E_RNA)
where:
Base-Base interactions energy: -306.609
where: short stacking energy: -138.306
Base-Backbone interact. energy: -0.815
local terms energy: -140.097006
where:
bonds (distance) C4'-P energy: -24.653
bonds (distance) P-C4' energy: -31.406
flat angles C4'-P-C4' energy: -27.889
flat angles P-C4'-P energy: -19.535
tors. eta vs tors. theta energy: -36.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -408.464814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.464814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.464814 (E_RNA)
where:
Base-Base interactions energy: -271.904
where: short stacking energy: -114.860
Base-Backbone interact. energy: -1.105
local terms energy: -135.455835
where:
bonds (distance) C4'-P energy: -30.822
bonds (distance) P-C4' energy: -33.308
flat angles C4'-P-C4' energy: -26.696
flat angles P-C4'-P energy: -15.854
tors. eta vs tors. theta energy: -28.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -374.326635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.326635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.326635 (E_RNA)
where:
Base-Base interactions energy: -253.702
where: short stacking energy: -109.098
Base-Backbone interact. energy: -0.275
local terms energy: -120.349097
where:
bonds (distance) C4'-P energy: -21.812
bonds (distance) P-C4' energy: -26.830
flat angles C4'-P-C4' energy: -27.226
flat angles P-C4'-P energy: -17.302
tors. eta vs tors. theta energy: -27.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -298.201955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.201955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.201955 (E_RNA)
where:
Base-Base interactions energy: -198.839
where: short stacking energy: -94.026
Base-Backbone interact. energy: -0.137
local terms energy: -99.226309
where:
bonds (distance) C4'-P energy: -21.056
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -22.126
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -22.436
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: 5
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -142.813600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.813600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.813600 (E_RNA)
where:
Base-Base interactions energy: -51.467
where: short stacking energy: -37.206
Base-Backbone interact. energy: -0.120
local terms energy: -91.227155
where:
bonds (distance) C4'-P energy: -20.665
bonds (distance) P-C4' energy: -27.879
flat angles C4'-P-C4' energy: -29.148
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -3.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -543.203355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.203355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.203355 (E_RNA)
where:
Base-Base interactions energy: -381.375
where: short stacking energy: -158.888
Base-Backbone interact. energy: -0.082
local terms energy: -161.746600
where:
bonds (distance) C4'-P energy: -24.649
bonds (distance) P-C4' energy: -27.833
flat angles C4'-P-C4' energy: -34.263
flat angles P-C4'-P energy: -27.262
tors. eta vs tors. theta energy: -47.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -532.928591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.928591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.928591 (E_RNA)
where:
Base-Base interactions energy: -369.286
where: short stacking energy: -158.451
Base-Backbone interact. energy: -0.048
local terms energy: -163.593997
where:
bonds (distance) C4'-P energy: -28.670
bonds (distance) P-C4' energy: -30.071
flat angles C4'-P-C4' energy: -33.166
flat angles P-C4'-P energy: -21.310
tors. eta vs tors. theta energy: -50.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -520.227133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.227133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.227133 (E_RNA)
where:
Base-Base interactions energy: -368.091
where: short stacking energy: -152.665
Base-Backbone interact. energy: -0.631
local terms energy: -151.504747
where:
bonds (distance) C4'-P energy: -27.281
bonds (distance) P-C4' energy: -23.964
flat angles C4'-P-C4' energy: -29.395
flat angles P-C4'-P energy: -25.124
tors. eta vs tors. theta energy: -45.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -505.535479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.535479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.535479 (E_RNA)
where:
Base-Base interactions energy: -362.391
where: short stacking energy: -141.924
Base-Backbone interact. energy: -0.322
local terms energy: -142.822622
where:
bonds (distance) C4'-P energy: -24.129
bonds (distance) P-C4' energy: -22.698
flat angles C4'-P-C4' energy: -27.860
flat angles P-C4'-P energy: -22.644
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: 5, replica: 6
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -500.915649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.915649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.915649 (E_RNA)
where:
Base-Base interactions energy: -356.450
where: short stacking energy: -140.131
Base-Backbone interact. energy: 0.137
local terms energy: -144.602891
where:
bonds (distance) C4'-P energy: -23.250
bonds (distance) P-C4' energy: -32.712
flat angles C4'-P-C4' energy: -23.027
flat angles P-C4'-P energy: -21.511
tors. eta vs tors. theta energy: -44.102
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: 2
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -441.272651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.272651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.272651 (E_RNA)
where:
Base-Base interactions energy: -301.690
where: short stacking energy: -130.403
Base-Backbone interact. energy: -0.102
local terms energy: -139.481202
where:
bonds (distance) C4'-P energy: -24.514
bonds (distance) P-C4' energy: -28.619
flat angles C4'-P-C4' energy: -31.051
flat angles P-C4'-P energy: -18.507
tors. eta vs tors. theta energy: -36.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -395.508384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.508384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.508384 (E_RNA)
where:
Base-Base interactions energy: -282.836
where: short stacking energy: -124.921
Base-Backbone interact. energy: 0.521
local terms energy: -113.193315
where:
bonds (distance) C4'-P energy: -26.806
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -24.500
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -35.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -359.986425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.986425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.986425 (E_RNA)
where:
Base-Base interactions energy: -240.446
where: short stacking energy: -121.210
Base-Backbone interact. energy: -1.228
local terms energy: -118.312366
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -27.271
flat angles C4'-P-C4' energy: -24.636
flat angles P-C4'-P energy: -21.610
tors. eta vs tors. theta energy: -30.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -342.781286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.781286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.781286 (E_RNA)
where:
Base-Base interactions energy: -227.620
where: short stacking energy: -105.943
Base-Backbone interact. energy: -0.443
local terms energy: -114.718204
where:
bonds (distance) C4'-P energy: -23.381
bonds (distance) P-C4' energy: -28.193
flat angles C4'-P-C4' energy: -24.870
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -26.936
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: 10, replica: 5
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -173.562238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.562238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.562238 (E_RNA)
where:
Base-Base interactions energy: -99.010
where: short stacking energy: -53.221
Base-Backbone interact. energy: -0.296
local terms energy: -74.256373
where:
bonds (distance) C4'-P energy: -20.828
bonds (distance) P-C4' energy: -21.872
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -0.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -545.418781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.418781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.418781 (E_RNA)
where:
Base-Base interactions energy: -385.736
where: short stacking energy: -153.811
Base-Backbone interact. energy: -0.296
local terms energy: -159.386087
where:
bonds (distance) C4'-P energy: -29.762
bonds (distance) P-C4' energy: -27.184
flat angles C4'-P-C4' energy: -32.974
flat angles P-C4'-P energy: -21.230
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: 2, replica: 8
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -523.763223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.763223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.763223 (E_RNA)
where:
Base-Base interactions energy: -370.435
where: short stacking energy: -155.514
Base-Backbone interact. energy: 1.656
local terms energy: -154.984870
where:
bonds (distance) C4'-P energy: -25.394
bonds (distance) P-C4' energy: -30.975
flat angles C4'-P-C4' energy: -31.327
flat angles P-C4'-P energy: -21.104
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: 7
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -514.185607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.185607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.185607 (E_RNA)
where:
Base-Base interactions energy: -371.141
where: short stacking energy: -155.944
Base-Backbone interact. energy: -0.385
local terms energy: -142.658959
where:
bonds (distance) C4'-P energy: -26.549
bonds (distance) P-C4' energy: -26.051
flat angles C4'-P-C4' energy: -27.766
flat angles P-C4'-P energy: -17.243
tors. eta vs tors. theta energy: -45.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -507.973085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.973085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.973085 (E_RNA)
where:
Base-Base interactions energy: -368.441
where: short stacking energy: -152.640
Base-Backbone interact. energy: -0.619
local terms energy: -138.913445
where:
bonds (distance) C4'-P energy: -19.436
bonds (distance) P-C4' energy: -23.442
flat angles C4'-P-C4' energy: -28.658
flat angles P-C4'-P energy: -18.026
tors. eta vs tors. theta energy: -49.352
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: 4
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -503.853902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.853902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.853902 (E_RNA)
where:
Base-Base interactions energy: -348.723
where: short stacking energy: -146.727
Base-Backbone interact. energy: -0.043
local terms energy: -155.087919
where:
bonds (distance) C4'-P energy: -26.971
bonds (distance) P-C4' energy: -30.477
flat angles C4'-P-C4' energy: -30.726
flat angles P-C4'-P energy: -21.386
tors. eta vs tors. theta energy: -45.527
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: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -433.894759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.894759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.894759 (E_RNA)
where:
Base-Base interactions energy: -292.622
where: short stacking energy: -121.542
Base-Backbone interact. energy: -0.317
local terms energy: -140.956717
where:
bonds (distance) C4'-P energy: -29.219
bonds (distance) P-C4' energy: -28.463
flat angles C4'-P-C4' energy: -28.792
flat angles P-C4'-P energy: -18.130
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: 2
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -434.035154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.035154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.035154 (E_RNA)
where:
Base-Base interactions energy: -293.198
where: short stacking energy: -128.242
Base-Backbone interact. energy: -0.664
local terms energy: -140.172246
where:
bonds (distance) C4'-P energy: -28.101
bonds (distance) P-C4' energy: -24.137
flat angles C4'-P-C4' energy: -23.787
flat angles P-C4'-P energy: -19.702
tors. eta vs tors. theta energy: -44.445
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: 1
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -347.968758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.968758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.968758 (E_RNA)
where:
Base-Base interactions energy: -230.795
where: short stacking energy: -96.585
Base-Backbone interact. energy: -0.253
local terms energy: -116.920999
where:
bonds (distance) C4'-P energy: -18.609
bonds (distance) P-C4' energy: -29.559
flat angles C4'-P-C4' energy: -25.970
flat angles P-C4'-P energy: -19.904
tors. eta vs tors. theta energy: -22.878
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: 3
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -367.701867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.701867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.701867 (E_RNA)
where:
Base-Base interactions energy: -248.913
where: short stacking energy: -117.523
Base-Backbone interact. energy: -0.727
local terms energy: -118.061687
where:
bonds (distance) C4'-P energy: -23.543
bonds (distance) P-C4' energy: -27.331
flat angles C4'-P-C4' energy: -26.504
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -31.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -141.502291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.502291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.502291 (E_RNA)
where:
Base-Base interactions energy: -50.825
where: short stacking energy: -48.277
Base-Backbone interact. energy: -0.418
local terms energy: -90.259816
where:
bonds (distance) C4'-P energy: -25.784
bonds (distance) P-C4' energy: -27.255
flat angles C4'-P-C4' energy: -22.107
flat angles P-C4'-P energy: -15.402
tors. eta vs tors. theta energy: 0.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -531.541206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.541206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.541206 (E_RNA)
where:
Base-Base interactions energy: -372.275
where: short stacking energy: -148.431
Base-Backbone interact. energy: -0.059
local terms energy: -159.207127
where:
bonds (distance) C4'-P energy: -28.398
bonds (distance) P-C4' energy: -32.001
flat angles C4'-P-C4' energy: -32.796
flat angles P-C4'-P energy: -19.020
tors. eta vs tors. theta energy: -46.992
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: 8
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -534.135796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.135796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.135796 (E_RNA)
where:
Base-Base interactions energy: -378.823
where: short stacking energy: -152.094
Base-Backbone interact. energy: -0.515
local terms energy: -154.797203
where:
bonds (distance) C4'-P energy: -22.118
bonds (distance) P-C4' energy: -23.464
flat angles C4'-P-C4' energy: -32.014
flat angles P-C4'-P energy: -28.282
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: 3, replica: 6
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -513.123729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.123729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.123729 (E_RNA)
where:
Base-Base interactions energy: -365.318
where: short stacking energy: -152.980
Base-Backbone interact. energy: -0.073
local terms energy: -147.733495
where:
bonds (distance) C4'-P energy: -22.749
bonds (distance) P-C4' energy: -28.045
flat angles C4'-P-C4' energy: -29.624
flat angles P-C4'-P energy: -21.659
tors. eta vs tors. theta energy: -45.656
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: 7
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -519.160091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.160091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.160091 (E_RNA)
where:
Base-Base interactions energy: -366.390
where: short stacking energy: -154.720
Base-Backbone interact. energy: -0.520
local terms energy: -152.250588
where:
bonds (distance) C4'-P energy: -26.252
bonds (distance) P-C4' energy: -27.982
flat angles C4'-P-C4' energy: -28.765
flat angles P-C4'-P energy: -21.335
tors. eta vs tors. theta energy: -47.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -490.005653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.005653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.005653 (E_RNA)
where:
Base-Base interactions energy: -332.340
where: short stacking energy: -152.237
Base-Backbone interact. energy: -0.413
local terms energy: -157.252069
where:
bonds (distance) C4'-P energy: -23.655
bonds (distance) P-C4' energy: -30.301
flat angles C4'-P-C4' energy: -30.701
flat angles P-C4'-P energy: -27.805
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: 6, replica: 10
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -423.711769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.711769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.711769 (E_RNA)
where:
Base-Base interactions energy: -293.169
where: short stacking energy: -122.684
Base-Backbone interact. energy: -0.265
local terms energy: -130.277643
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -23.767
flat angles C4'-P-C4' energy: -31.202
flat angles P-C4'-P energy: -17.238
tors. eta vs tors. theta energy: -40.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -416.893932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.893932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.893932 (E_RNA)
where:
Base-Base interactions energy: -282.056
where: short stacking energy: -130.807
Base-Backbone interact. energy: -0.613
local terms energy: -134.225037
where:
bonds (distance) C4'-P energy: -26.019
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -31.316
flat angles P-C4'-P energy: -19.922
tors. eta vs tors. theta energy: -39.290
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: 8, replica: 1
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -332.311602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.311602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.311602 (E_RNA)
where:
Base-Base interactions energy: -224.510
where: short stacking energy: -96.846
Base-Backbone interact. energy: 0.519
local terms energy: -108.321030
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -27.613
flat angles C4'-P-C4' energy: -27.565
flat angles P-C4'-P energy: -18.259
tors. eta vs tors. theta energy: -18.532
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: 3
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -388.309101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.309101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.309101 (E_RNA)
where:
Base-Base interactions energy: -260.917
where: short stacking energy: -123.727
Base-Backbone interact. energy: -0.809
local terms energy: -126.583207
where:
bonds (distance) C4'-P energy: -24.298
bonds (distance) P-C4' energy: -28.671
flat angles C4'-P-C4' energy: -29.655
flat angles P-C4'-P energy: -14.366
tors. eta vs tors. theta energy: -29.593
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: 5
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -134.623570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.623570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.623570 (E_RNA)
where:
Base-Base interactions energy: -51.027
where: short stacking energy: -43.841
Base-Backbone interact. energy: 0.568
local terms energy: -84.164171
where:
bonds (distance) C4'-P energy: -26.092
bonds (distance) P-C4' energy: -22.197
flat angles C4'-P-C4' energy: -19.914
flat angles P-C4'-P energy: -14.456
tors. eta vs tors. theta energy: -1.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -537.998844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.998844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.998844 (E_RNA)
where:
Base-Base interactions energy: -381.177
where: short stacking energy: -159.846
Base-Backbone interact. energy: -0.270
local terms energy: -156.552126
where:
bonds (distance) C4'-P energy: -22.240
bonds (distance) P-C4' energy: -26.366
flat angles C4'-P-C4' energy: -29.656
flat angles P-C4'-P energy: -26.204
tors. eta vs tors. theta energy: -52.086
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: 2, replica: 6
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -541.553091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.553091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.553091 (E_RNA)
where:
Base-Base interactions energy: -379.870
where: short stacking energy: -159.543
Base-Backbone interact. energy: -0.280
local terms energy: -161.403020
where:
bonds (distance) C4'-P energy: -27.274
bonds (distance) P-C4' energy: -27.968
flat angles C4'-P-C4' energy: -33.010
flat angles P-C4'-P energy: -26.180
tors. eta vs tors. theta energy: -46.971
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: 8
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -517.964724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.964724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.964724 (E_RNA)
where:
Base-Base interactions energy: -359.808
where: short stacking energy: -142.150
Base-Backbone interact. energy: -0.997
local terms energy: -157.159727
where:
bonds (distance) C4'-P energy: -28.214
bonds (distance) P-C4' energy: -27.722
flat angles C4'-P-C4' energy: -36.225
flat angles P-C4'-P energy: -20.100
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: 4, replica: 7
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -518.238237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.238237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.238237 (E_RNA)
where:
Base-Base interactions energy: -360.407
where: short stacking energy: -149.665
Base-Backbone interact. energy: -0.800
local terms energy: -157.031454
where:
bonds (distance) C4'-P energy: -27.361
bonds (distance) P-C4' energy: -27.130
flat angles C4'-P-C4' energy: -32.525
flat angles P-C4'-P energy: -21.939
tors. eta vs tors. theta energy: -48.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -487.488847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.488847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.488847 (E_RNA)
where:
Base-Base interactions energy: -336.338
where: short stacking energy: -144.102
Base-Backbone interact. energy: -0.007
local terms energy: -151.143870
where:
bonds (distance) C4'-P energy: -27.560
bonds (distance) P-C4' energy: -23.801
flat angles C4'-P-C4' energy: -31.888
flat angles P-C4'-P energy: -22.425
tors. eta vs tors. theta energy: -45.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -431.652518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.652518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.652518 (E_RNA)
where:
Base-Base interactions energy: -304.172
where: short stacking energy: -126.847
Base-Backbone interact. energy: -1.716
local terms energy: -125.764766
where:
bonds (distance) C4'-P energy: -20.139
bonds (distance) P-C4' energy: -23.007
flat angles C4'-P-C4' energy: -29.263
flat angles P-C4'-P energy: -18.241
tors. eta vs tors. theta energy: -35.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -420.046728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.046728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.046728 (E_RNA)
where:
Base-Base interactions energy: -283.079
where: short stacking energy: -124.851
Base-Backbone interact. energy: -0.906
local terms energy: -136.061825
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -27.710
flat angles C4'-P-C4' energy: -30.810
flat angles P-C4'-P energy: -20.552
tors. eta vs tors. theta energy: -38.126
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: 3
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -408.190072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.190072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.190072 (E_RNA)
where:
Base-Base interactions energy: -271.552
where: short stacking energy: -118.410
Base-Backbone interact. energy: -0.224
local terms energy: -136.414528
where:
bonds (distance) C4'-P energy: -26.063
bonds (distance) P-C4' energy: -23.096
flat angles C4'-P-C4' energy: -29.866
flat angles P-C4'-P energy: -20.348
tors. eta vs tors. theta energy: -37.041
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: 1
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -318.732483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.732483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.732483 (E_RNA)
where:
Base-Base interactions energy: -203.260
where: short stacking energy: -83.886
Base-Backbone interact. energy: 1.756
local terms energy: -117.228284
where:
bonds (distance) C4'-P energy: -26.980
bonds (distance) P-C4' energy: -26.601
flat angles C4'-P-C4' energy: -26.407
flat angles P-C4'-P energy: -20.726
tors. eta vs tors. theta energy: -16.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -132.343828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.343828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.343828 (E_RNA)
where:
Base-Base interactions energy: -52.951
where: short stacking energy: -38.396
Base-Backbone interact. energy: -0.337
local terms energy: -79.056156
where:
bonds (distance) C4'-P energy: -23.628
bonds (distance) P-C4' energy: -22.397
flat angles C4'-P-C4' energy: -23.596
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -1.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -535.348764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.348764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.348764 (E_RNA)
where:
Base-Base interactions energy: -380.638
where: short stacking energy: -155.474
Base-Backbone interact. energy: -0.057
local terms energy: -154.653805
where:
bonds (distance) C4'-P energy: -29.087
bonds (distance) P-C4' energy: -27.584
flat angles C4'-P-C4' energy: -25.441
flat angles P-C4'-P energy: -22.774
tors. eta vs tors. theta energy: -49.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -525.609402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.609402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.609402 (E_RNA)
where:
Base-Base interactions energy: -366.433
where: short stacking energy: -156.614
Base-Backbone interact. energy: -0.027
local terms energy: -159.149174
where:
bonds (distance) C4'-P energy: -30.754
bonds (distance) P-C4' energy: -25.830
flat angles C4'-P-C4' energy: -31.118
flat angles P-C4'-P energy: -26.984
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: 7
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -514.323549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.323549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.323549 (E_RNA)
where:
Base-Base interactions energy: -364.938
where: short stacking energy: -152.485
Base-Backbone interact. energy: -0.008
local terms energy: -149.377587
where:
bonds (distance) C4'-P energy: -28.016
bonds (distance) P-C4' energy: -27.438
flat angles C4'-P-C4' energy: -28.633
flat angles P-C4'-P energy: -18.696
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: 4, replica: 8
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -519.075761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.075761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.075761 (E_RNA)
where:
Base-Base interactions energy: -367.331
where: short stacking energy: -155.327
Base-Backbone interact. energy: -0.047
local terms energy: -151.697691
where:
bonds (distance) C4'-P energy: -25.609
bonds (distance) P-C4' energy: -25.558
flat angles C4'-P-C4' energy: -32.263
flat angles P-C4'-P energy: -23.257
tors. eta vs tors. theta energy: -45.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -456.916371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.916371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.916371 (E_RNA)
where:
Base-Base interactions energy: -310.430
where: short stacking energy: -129.995
Base-Backbone interact. energy: -1.267
local terms energy: -145.220226
where:
bonds (distance) C4'-P energy: -28.666
bonds (distance) P-C4' energy: -26.807
flat angles C4'-P-C4' energy: -29.163
flat angles P-C4'-P energy: -20.167
tors. eta vs tors. theta energy: -40.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -489.134956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.134956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.134956 (E_RNA)
where:
Base-Base interactions energy: -344.874
where: short stacking energy: -146.155
Base-Backbone interact. energy: -3.061
local terms energy: -141.199734
where:
bonds (distance) C4'-P energy: -20.350
bonds (distance) P-C4' energy: -27.596
flat angles C4'-P-C4' energy: -28.582
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: -47.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -401.528688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.528688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.528688 (E_RNA)
where:
Base-Base interactions energy: -273.745
where: short stacking energy: -113.538
Base-Backbone interact. energy: -0.160
local terms energy: -127.623297
where:
bonds (distance) C4'-P energy: -26.983
bonds (distance) P-C4' energy: -28.627
flat angles C4'-P-C4' energy: -26.948
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -32.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -394.481127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.481127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.481127 (E_RNA)
where:
Base-Base interactions energy: -270.765
where: short stacking energy: -120.707
Base-Backbone interact. energy: -0.354
local terms energy: -123.362103
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -21.393
flat angles C4'-P-C4' energy: -29.631
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -40.478
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: 1
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -300.056196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.056196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.056196 (E_RNA)
where:
Base-Base interactions energy: -202.705
where: short stacking energy: -78.341
Base-Backbone interact. energy: 0.043
local terms energy: -97.394234
where:
bonds (distance) C4'-P energy: -23.375
bonds (distance) P-C4' energy: -25.848
flat angles C4'-P-C4' energy: -22.135
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -13.641
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: 10, replica: 5
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -132.531959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.531959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.531959 (E_RNA)
where:
Base-Base interactions energy: -48.154
where: short stacking energy: -36.601
Base-Backbone interact. energy: -1.215
local terms energy: -83.163299
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -24.787
flat angles C4'-P-C4' energy: -24.528
flat angles P-C4'-P energy: -20.186
tors. eta vs tors. theta energy: 2.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -531.074231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.074231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.074231 (E_RNA)
where:
Base-Base interactions energy: -372.585
where: short stacking energy: -150.093
Base-Backbone interact. energy: 2.211
local terms energy: -160.700871
where:
bonds (distance) C4'-P energy: -28.600
bonds (distance) P-C4' energy: -29.619
flat angles C4'-P-C4' energy: -30.279
flat angles P-C4'-P energy: -24.596
tors. eta vs tors. theta energy: -47.607
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: 2, replica: 6
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -521.322580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.322580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.322580 (E_RNA)
where:
Base-Base interactions energy: -361.769
where: short stacking energy: -153.204
Base-Backbone interact. energy: -0.123
local terms energy: -159.430874
where:
bonds (distance) C4'-P energy: -28.099
bonds (distance) P-C4' energy: -26.880
flat angles C4'-P-C4' energy: -33.820
flat angles P-C4'-P energy: -24.628
tors. eta vs tors. theta energy: -46.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -517.412628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.412628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.412628 (E_RNA)
where:
Base-Base interactions energy: -362.009
where: short stacking energy: -155.623
Base-Backbone interact. energy: -0.001
local terms energy: -155.403010
where:
bonds (distance) C4'-P energy: -28.698
bonds (distance) P-C4' energy: -27.068
flat angles C4'-P-C4' energy: -29.750
flat angles P-C4'-P energy: -23.961
tors. eta vs tors. theta energy: -45.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -515.846951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.846951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.846951 (E_RNA)
where:
Base-Base interactions energy: -362.349
where: short stacking energy: -159.636
Base-Backbone interact. energy: 0.175
local terms energy: -153.672545
where:
bonds (distance) C4'-P energy: -24.561
bonds (distance) P-C4' energy: -27.638
flat angles C4'-P-C4' energy: -29.740
flat angles P-C4'-P energy: -24.229
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: 371
Temperature: 1.100000
Total energy: -463.712346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.712346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.712346 (E_RNA)
where:
Base-Base interactions energy: -337.000
where: short stacking energy: -130.202
Base-Backbone interact. energy: -0.350
local terms energy: -126.362045
where:
bonds (distance) C4'-P energy: -26.731
bonds (distance) P-C4' energy: -21.817
flat angles C4'-P-C4' energy: -29.266
flat angles P-C4'-P energy: -17.169
tors. eta vs tors. theta energy: -31.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -487.360388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.360388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.360388 (E_RNA)
where:
Base-Base interactions energy: -336.518
where: short stacking energy: -145.710
Base-Backbone interact. energy: -0.742
local terms energy: -150.100155
where:
bonds (distance) C4'-P energy: -28.996
bonds (distance) P-C4' energy: -21.776
flat angles C4'-P-C4' energy: -30.247
flat angles P-C4'-P energy: -20.182
tors. eta vs tors. theta energy: -48.899
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: 2
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -410.308286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.308286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.308286 (E_RNA)
where:
Base-Base interactions energy: -274.134
where: short stacking energy: -128.227
Base-Backbone interact. energy: -0.817
local terms energy: -135.357227
where:
bonds (distance) C4'-P energy: -24.860
bonds (distance) P-C4' energy: -33.446
flat angles C4'-P-C4' energy: -22.461
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: -38.971
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: 3
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -410.747985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.747985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.747985 (E_RNA)
where:
Base-Base interactions energy: -288.090
where: short stacking energy: -119.537
Base-Backbone interact. energy: 0.914
local terms energy: -123.571877
where:
bonds (distance) C4'-P energy: -18.044
bonds (distance) P-C4' energy: -23.055
flat angles C4'-P-C4' energy: -26.203
flat angles P-C4'-P energy: -17.923
tors. eta vs tors. theta energy: -38.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -313.304711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.304711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.304711 (E_RNA)
where:
Base-Base interactions energy: -204.482
where: short stacking energy: -87.427
Base-Backbone interact. energy: -0.323
local terms energy: -108.499043
where:
bonds (distance) C4'-P energy: -23.042
bonds (distance) P-C4' energy: -23.982
flat angles C4'-P-C4' energy: -23.581
flat angles P-C4'-P energy: -22.587
tors. eta vs tors. theta energy: -15.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -128.391123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.391123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.391123 (E_RNA)
where:
Base-Base interactions energy: -45.739
where: short stacking energy: -30.545
Base-Backbone interact. energy: -0.239
local terms energy: -82.412459
where:
bonds (distance) C4'-P energy: -27.385
bonds (distance) P-C4' energy: -29.859
flat angles C4'-P-C4' energy: -24.674
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: 7.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -527.755275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.755275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.755275 (E_RNA)
where:
Base-Base interactions energy: -378.918
where: short stacking energy: -144.076
Base-Backbone interact. energy: -0.781
local terms energy: -148.056489
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -29.223
flat angles C4'-P-C4' energy: -34.142
flat angles P-C4'-P energy: -21.464
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: 2, replica: 6
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -524.079915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.079915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.079915 (E_RNA)
where:
Base-Base interactions energy: -368.649
where: short stacking energy: -150.801
Base-Backbone interact. energy: -0.292
local terms energy: -155.138819
where:
bonds (distance) C4'-P energy: -26.791
bonds (distance) P-C4' energy: -29.517
flat angles C4'-P-C4' energy: -28.592
flat angles P-C4'-P energy: -24.125
tors. eta vs tors. theta energy: -46.114
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: 3, replica: 7
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -513.059339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.059339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.059339 (E_RNA)
where:
Base-Base interactions energy: -363.153
where: short stacking energy: -149.712
Base-Backbone interact. energy: -0.035
local terms energy: -149.871653
where:
bonds (distance) C4'-P energy: -27.786
bonds (distance) P-C4' energy: -28.320
flat angles C4'-P-C4' energy: -29.869
flat angles P-C4'-P energy: -22.840
tors. eta vs tors. theta energy: -41.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -505.093871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.093871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.093871 (E_RNA)
where:
Base-Base interactions energy: -362.665
where: short stacking energy: -150.527
Base-Backbone interact. energy: -0.890
local terms energy: -141.539510
where:
bonds (distance) C4'-P energy: -24.029
bonds (distance) P-C4' energy: -26.732
flat angles C4'-P-C4' energy: -28.627
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -45.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -477.838770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.838770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.838770 (E_RNA)
where:
Base-Base interactions energy: -328.334
where: short stacking energy: -138.860
Base-Backbone interact. energy: -0.228
local terms energy: -149.277193
where:
bonds (distance) C4'-P energy: -27.307
bonds (distance) P-C4' energy: -28.815
flat angles C4'-P-C4' energy: -26.241
flat angles P-C4'-P energy: -20.748
tors. eta vs tors. theta energy: -46.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -435.728519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.728519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.728519 (E_RNA)
where:
Base-Base interactions energy: -302.049
where: short stacking energy: -136.763
Base-Backbone interact. energy: -0.729
local terms energy: -132.950514
where:
bonds (distance) C4'-P energy: -25.088
bonds (distance) P-C4' energy: -18.894
flat angles C4'-P-C4' energy: -27.474
flat angles P-C4'-P energy: -19.164
tors. eta vs tors. theta energy: -42.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -432.260380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.260380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.260380 (E_RNA)
where:
Base-Base interactions energy: -307.713
where: short stacking energy: -131.756
Base-Backbone interact. energy: -1.267
local terms energy: -123.280786
where:
bonds (distance) C4'-P energy: -24.456
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -28.533
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -40.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -407.973605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.973605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.973605 (E_RNA)
where:
Base-Base interactions energy: -279.069
where: short stacking energy: -126.617
Base-Backbone interact. energy: -0.875
local terms energy: -128.029968
where:
bonds (distance) C4'-P energy: -18.371
bonds (distance) P-C4' energy: -28.390
flat angles C4'-P-C4' energy: -25.776
flat angles P-C4'-P energy: -18.272
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: 9, replica: 1
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -325.425719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.425719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.425719 (E_RNA)
where:
Base-Base interactions energy: -226.055
where: short stacking energy: -98.350
Base-Backbone interact. energy: -0.480
local terms energy: -98.890636
where:
bonds (distance) C4'-P energy: -18.748
bonds (distance) P-C4' energy: -23.821
flat angles C4'-P-C4' energy: -26.672
flat angles P-C4'-P energy: -5.707
tors. eta vs tors. theta energy: -23.943
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: 5
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -132.588092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.588092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.588092 (E_RNA)
where:
Base-Base interactions energy: -40.220
where: short stacking energy: -30.750
Base-Backbone interact. energy: 0.564
local terms energy: -92.932473
where:
bonds (distance) C4'-P energy: -23.435
bonds (distance) P-C4' energy: -31.002
flat angles C4'-P-C4' energy: -22.107
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -1.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -532.881690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.881690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.881690 (E_RNA)
where:
Base-Base interactions energy: -374.109
where: short stacking energy: -152.697
Base-Backbone interact. energy: -0.614
local terms energy: -158.158903
where:
bonds (distance) C4'-P energy: -28.374
bonds (distance) P-C4' energy: -25.758
flat angles C4'-P-C4' energy: -31.608
flat angles P-C4'-P energy: -24.200
tors. eta vs tors. theta energy: -48.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -520.405831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.405831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.405831 (E_RNA)
where:
Base-Base interactions energy: -368.438
where: short stacking energy: -150.423
Base-Backbone interact. energy: -0.475
local terms energy: -151.492661
where:
bonds (distance) C4'-P energy: -21.686
bonds (distance) P-C4' energy: -25.183
flat angles C4'-P-C4' energy: -31.152
flat angles P-C4'-P energy: -25.574
tors. eta vs tors. theta energy: -47.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -505.087118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.087118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.087118 (E_RNA)
where:
Base-Base interactions energy: -364.303
where: short stacking energy: -145.936
Base-Backbone interact. energy: -0.750
local terms energy: -140.034049
where:
bonds (distance) C4'-P energy: -25.871
bonds (distance) P-C4' energy: -21.360
flat angles C4'-P-C4' energy: -29.260
flat angles P-C4'-P energy: -21.742
tors. eta vs tors. theta energy: -41.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -487.450381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.450381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.450381 (E_RNA)
where:
Base-Base interactions energy: -333.822
where: short stacking energy: -139.667
Base-Backbone interact. energy: -0.557
local terms energy: -153.071764
where:
bonds (distance) C4'-P energy: -28.069
bonds (distance) P-C4' energy: -22.897
flat angles C4'-P-C4' energy: -34.606
flat angles P-C4'-P energy: -21.589
tors. eta vs tors. theta energy: -45.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -498.321221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.321221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.321221 (E_RNA)
where:
Base-Base interactions energy: -359.502
where: short stacking energy: -148.740
Base-Backbone interact. energy: -0.523
local terms energy: -138.296099
where:
bonds (distance) C4'-P energy: -20.712
bonds (distance) P-C4' energy: -23.588
flat angles C4'-P-C4' energy: -27.760
flat angles P-C4'-P energy: -22.980
tors. eta vs tors. theta energy: -43.256
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: 373
Temperature: 1.150000
Total energy: -438.074110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.074110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.074110 (E_RNA)
where:
Base-Base interactions energy: -304.547
where: short stacking energy: -132.983
Base-Backbone interact. energy: 0.355
local terms energy: -133.882356
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -23.607
flat angles C4'-P-C4' energy: -26.062
flat angles P-C4'-P energy: -23.615
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: 7, replica: 10
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -433.864744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.864744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.864744 (E_RNA)
where:
Base-Base interactions energy: -301.260
where: short stacking energy: -124.483
Base-Backbone interact. energy: 0.143
local terms energy: -132.747657
where:
bonds (distance) C4'-P energy: -28.222
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -31.172
flat angles P-C4'-P energy: -18.495
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: 2
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -388.700212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.700212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.700212 (E_RNA)
where:
Base-Base interactions energy: -269.375
where: short stacking energy: -109.521
Base-Backbone interact. energy: -0.197
local terms energy: -119.128676
where:
bonds (distance) C4'-P energy: -21.351
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -31.408
flat angles P-C4'-P energy: -18.632
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: 9, replica: 1
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -330.925922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.925922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.925922 (E_RNA)
where:
Base-Base interactions energy: -238.473
where: short stacking energy: -105.063
Base-Backbone interact. energy: 3.116
local terms energy: -95.568731
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -21.820
flat angles P-C4'-P energy: -16.545
tors. eta vs tors. theta energy: -19.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -142.629281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.629281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.629281 (E_RNA)
where:
Base-Base interactions energy: -52.474
where: short stacking energy: -34.233
Base-Backbone interact. energy: -0.877
local terms energy: -89.277568
where:
bonds (distance) C4'-P energy: -26.763
bonds (distance) P-C4' energy: -29.643
flat angles C4'-P-C4' energy: -27.351
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: 6.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -537.235047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.235047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.235047 (E_RNA)
where:
Base-Base interactions energy: -374.664
where: short stacking energy: -150.382
Base-Backbone interact. energy: -0.035
local terms energy: -162.536257
where:
bonds (distance) C4'-P energy: -31.674
bonds (distance) P-C4' energy: -28.705
flat angles C4'-P-C4' energy: -31.930
flat angles P-C4'-P energy: -22.546
tors. eta vs tors. theta energy: -47.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -522.918807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.918807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.918807 (E_RNA)
where:
Base-Base interactions energy: -367.032
where: short stacking energy: -149.218
Base-Backbone interact. energy: -0.095
local terms energy: -155.792268
where:
bonds (distance) C4'-P energy: -30.117
bonds (distance) P-C4' energy: -25.595
flat angles C4'-P-C4' energy: -34.553
flat angles P-C4'-P energy: -21.306
tors. eta vs tors. theta energy: -44.221
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: 7
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -523.487218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.487218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.487218 (E_RNA)
where:
Base-Base interactions energy: -367.558
where: short stacking energy: -156.410
Base-Backbone interact. energy: -0.266
local terms energy: -155.662766
where:
bonds (distance) C4'-P energy: -21.078
bonds (distance) P-C4' energy: -30.240
flat angles C4'-P-C4' energy: -33.680
flat angles P-C4'-P energy: -24.442
tors. eta vs tors. theta energy: -46.223
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: 4
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -497.265897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.265897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.265897 (E_RNA)
where:
Base-Base interactions energy: -335.558
where: short stacking energy: -150.809
Base-Backbone interact. energy: -1.043
local terms energy: -160.665605
where:
bonds (distance) C4'-P energy: -28.446
bonds (distance) P-C4' energy: -29.113
flat angles C4'-P-C4' energy: -31.721
flat angles P-C4'-P energy: -24.717
tors. eta vs tors. theta energy: -46.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -491.190723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.190723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.190723 (E_RNA)
where:
Base-Base interactions energy: -343.953
where: short stacking energy: -146.848
Base-Backbone interact. energy: -0.657
local terms energy: -146.580783
where:
bonds (distance) C4'-P energy: -22.359
bonds (distance) P-C4' energy: -25.792
flat angles C4'-P-C4' energy: -31.888
flat angles P-C4'-P energy: -24.895
tors. eta vs tors. theta energy: -41.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -408.226036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.226036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.226036 (E_RNA)
where:
Base-Base interactions energy: -284.025
where: short stacking energy: -120.481
Base-Backbone interact. energy: -1.079
local terms energy: -123.121593
where:
bonds (distance) C4'-P energy: -20.561
bonds (distance) P-C4' energy: -19.693
flat angles C4'-P-C4' energy: -30.600
flat angles P-C4'-P energy: -17.212
tors. eta vs tors. theta energy: -35.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -397.318564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.318564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.318564 (E_RNA)
where:
Base-Base interactions energy: -268.055
where: short stacking energy: -106.440
Base-Backbone interact. energy: -0.748
local terms energy: -128.515747
where:
bonds (distance) C4'-P energy: -30.325
bonds (distance) P-C4' energy: -25.367
flat angles C4'-P-C4' energy: -27.341
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -32.412
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: 10
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -416.381586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.381586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.381586 (E_RNA)
where:
Base-Base interactions energy: -300.341
where: short stacking energy: -125.127
Base-Backbone interact. energy: 0.406
local terms energy: -116.446500
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -22.696
flat angles C4'-P-C4' energy: -30.629
flat angles P-C4'-P energy: -17.541
tors. eta vs tors. theta energy: -30.129
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: 1
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -315.489164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.489164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.489164 (E_RNA)
where:
Base-Base interactions energy: -225.150
where: short stacking energy: -86.053
Base-Backbone interact. energy: 0.025
local terms energy: -90.363349
where:
bonds (distance) C4'-P energy: -19.326
bonds (distance) P-C4' energy: -22.565
flat angles C4'-P-C4' energy: -19.818
flat angles P-C4'-P energy: -15.361
tors. eta vs tors. theta energy: -13.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -119.797288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.797288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.797288 (E_RNA)
where:
Base-Base interactions energy: -44.904
where: short stacking energy: -43.262
Base-Backbone interact. energy: -0.337
local terms energy: -74.556635
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -29.252
flat angles C4'-P-C4' energy: -24.025
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: 5.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -533.460198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.460198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.460198 (E_RNA)
where:
Base-Base interactions energy: -380.433
where: short stacking energy: -165.523
Base-Backbone interact. energy: 0.507
local terms energy: -153.534648
where:
bonds (distance) C4'-P energy: -21.405
bonds (distance) P-C4' energy: -26.589
flat angles C4'-P-C4' energy: -31.894
flat angles P-C4'-P energy: -25.518
tors. eta vs tors. theta energy: -48.129
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: 7
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -534.001457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.001457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.001457 (E_RNA)
where:
Base-Base interactions energy: -381.117
where: short stacking energy: -155.963
Base-Backbone interact. energy: 0.561
local terms energy: -153.445348
where:
bonds (distance) C4'-P energy: -29.398
bonds (distance) P-C4' energy: -29.269
flat angles C4'-P-C4' energy: -25.291
flat angles P-C4'-P energy: -24.125
tors. eta vs tors. theta energy: -45.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -521.473805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.473805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.473805 (E_RNA)
where:
Base-Base interactions energy: -362.771
where: short stacking energy: -151.227
Base-Backbone interact. energy: -0.004
local terms energy: -158.698897
where:
bonds (distance) C4'-P energy: -31.066
bonds (distance) P-C4' energy: -30.655
flat angles C4'-P-C4' energy: -27.678
flat angles P-C4'-P energy: -21.484
tors. eta vs tors. theta energy: -47.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -507.181667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.181667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.181667 (E_RNA)
where:
Base-Base interactions energy: -365.519
where: short stacking energy: -155.479
Base-Backbone interact. energy: -0.291
local terms energy: -141.371651
where:
bonds (distance) C4'-P energy: -22.684
bonds (distance) P-C4' energy: -31.210
flat angles C4'-P-C4' energy: -26.630
flat angles P-C4'-P energy: -20.485
tors. eta vs tors. theta energy: -40.363
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: 5, replica: 4
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -498.687285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.687285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.687285 (E_RNA)
where:
Base-Base interactions energy: -342.895
where: short stacking energy: -154.996
Base-Backbone interact. energy: -0.979
local terms energy: -154.813406
where:
bonds (distance) C4'-P energy: -29.062
bonds (distance) P-C4' energy: -23.475
flat angles C4'-P-C4' energy: -30.199
flat angles P-C4'-P energy: -22.722
tors. eta vs tors. theta energy: -49.356
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: 6, replica: 3
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -423.973318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.973318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.973318 (E_RNA)
where:
Base-Base interactions energy: -291.588
where: short stacking energy: -124.227
Base-Backbone interact. energy: -0.455
local terms energy: -131.930778
where:
bonds (distance) C4'-P energy: -25.925
bonds (distance) P-C4' energy: -21.645
flat angles C4'-P-C4' energy: -32.678
flat angles P-C4'-P energy: -22.755
tors. eta vs tors. theta energy: -28.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -377.573830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.573830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.573830 (E_RNA)
where:
Base-Base interactions energy: -248.796
where: short stacking energy: -104.469
Base-Backbone interact. energy: -0.109
local terms energy: -128.668781
where:
bonds (distance) C4'-P energy: -26.159
bonds (distance) P-C4' energy: -26.092
flat angles C4'-P-C4' energy: -24.936
flat angles P-C4'-P energy: -18.114
tors. eta vs tors. theta energy: -33.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -387.605894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.605894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.605894 (E_RNA)
where:
Base-Base interactions energy: -275.193
where: short stacking energy: -120.189
Base-Backbone interact. energy: -0.934
local terms energy: -111.479328
where:
bonds (distance) C4'-P energy: -30.219
bonds (distance) P-C4' energy: -20.846
flat angles C4'-P-C4' energy: -27.553
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -18.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -299.120292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.120292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.120292 (E_RNA)
where:
Base-Base interactions energy: -204.331
where: short stacking energy: -83.315
Base-Backbone interact. energy: -2.637
local terms energy: -92.152328
where:
bonds (distance) C4'-P energy: -23.984
bonds (distance) P-C4' energy: -25.155
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -17.737
tors. eta vs tors. theta energy: -5.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -130.791377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.791377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.791377 (E_RNA)
where:
Base-Base interactions energy: -53.927
where: short stacking energy: -53.927
Base-Backbone interact. energy: -0.444
local terms energy: -76.420584
where:
bonds (distance) C4'-P energy: -25.155
bonds (distance) P-C4' energy: -24.685
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -0.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -535.517044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.517044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.517044 (E_RNA)
where:
Base-Base interactions energy: -379.996
where: short stacking energy: -163.978
Base-Backbone interact. energy: -1.130
local terms energy: -154.390851
where:
bonds (distance) C4'-P energy: -25.591
bonds (distance) P-C4' energy: -25.800
flat angles C4'-P-C4' energy: -28.199
flat angles P-C4'-P energy: -27.231
tors. eta vs tors. theta energy: -47.570
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: 2, replica: 7
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -521.619001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.619001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.619001 (E_RNA)
where:
Base-Base interactions energy: -372.397
where: short stacking energy: -151.269
Base-Backbone interact. energy: -0.146
local terms energy: -149.076479
where:
bonds (distance) C4'-P energy: -24.611
bonds (distance) P-C4' energy: -27.668
flat angles C4'-P-C4' energy: -33.814
flat angles P-C4'-P energy: -17.434
tors. eta vs tors. theta energy: -45.550
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: 3, replica: 8
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -523.975386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.975386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.975386 (E_RNA)
where:
Base-Base interactions energy: -374.073
where: short stacking energy: -152.194
Base-Backbone interact. energy: -0.014
local terms energy: -149.888089
where:
bonds (distance) C4'-P energy: -27.670
bonds (distance) P-C4' energy: -30.053
flat angles C4'-P-C4' energy: -26.040
flat angles P-C4'-P energy: -21.577
tors. eta vs tors. theta energy: -44.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -524.689437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.689437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.689437 (E_RNA)
where:
Base-Base interactions energy: -366.065
where: short stacking energy: -152.732
Base-Backbone interact. energy: -0.004
local terms energy: -158.620556
where:
bonds (distance) C4'-P energy: -30.509
bonds (distance) P-C4' energy: -28.183
flat angles C4'-P-C4' energy: -31.432
flat angles P-C4'-P energy: -19.784
tors. eta vs tors. theta energy: -48.713
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: 376
Temperature: 1.100000
Total energy: -437.691498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.691498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.691498 (E_RNA)
where:
Base-Base interactions energy: -295.351
where: short stacking energy: -140.268
Base-Backbone interact. energy: -0.116
local terms energy: -142.224005
where:
bonds (distance) C4'-P energy: -25.359
bonds (distance) P-C4' energy: -19.625
flat angles C4'-P-C4' energy: -29.579
flat angles P-C4'-P energy: -24.473
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: 4
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -484.054680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.054680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.054680 (E_RNA)
where:
Base-Base interactions energy: -329.538
where: short stacking energy: -146.729
Base-Backbone interact. energy: -0.351
local terms energy: -154.165206
where:
bonds (distance) C4'-P energy: -25.386
bonds (distance) P-C4' energy: -29.634
flat angles C4'-P-C4' energy: -31.219
flat angles P-C4'-P energy: -20.766
tors. eta vs tors. theta energy: -47.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -391.576670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.576670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.576670 (E_RNA)
where:
Base-Base interactions energy: -279.058
where: short stacking energy: -119.393
Base-Backbone interact. energy: 0.635
local terms energy: -113.153828
where:
bonds (distance) C4'-P energy: -21.271
bonds (distance) P-C4' energy: -22.068
flat angles C4'-P-C4' energy: -26.470
flat angles P-C4'-P energy: -15.432
tors. eta vs tors. theta energy: -27.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -393.303189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.303189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.303189 (E_RNA)
where:
Base-Base interactions energy: -265.008
where: short stacking energy: -122.916
Base-Backbone interact. energy: -0.172
local terms energy: -128.122592
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -23.170
flat angles C4'-P-C4' energy: -30.670
flat angles P-C4'-P energy: -15.767
tors. eta vs tors. theta energy: -36.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -322.154514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.154514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.154514 (E_RNA)
where:
Base-Base interactions energy: -203.431
where: short stacking energy: -96.154
Base-Backbone interact. energy: -0.815
local terms energy: -117.909062
where:
bonds (distance) C4'-P energy: -27.920
bonds (distance) P-C4' energy: -28.736
flat angles C4'-P-C4' energy: -26.466
flat angles P-C4'-P energy: -18.409
tors. eta vs tors. theta energy: -16.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -130.510175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.510175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.510175 (E_RNA)
where:
Base-Base interactions energy: -56.232
where: short stacking energy: -50.668
Base-Backbone interact. energy: -0.364
local terms energy: -73.914443
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -21.522
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -15.193
tors. eta vs tors. theta energy: -2.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -537.079587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.079587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.079587 (E_RNA)
where:
Base-Base interactions energy: -382.015
where: short stacking energy: -163.143
Base-Backbone interact. energy: -0.193
local terms energy: -154.871995
where:
bonds (distance) C4'-P energy: -22.418
bonds (distance) P-C4' energy: -24.974
flat angles C4'-P-C4' energy: -33.858
flat angles P-C4'-P energy: -23.552
tors. eta vs tors. theta energy: -50.070
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: 2, replica: 8
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -533.885188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.885188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.885188 (E_RNA)
where:
Base-Base interactions energy: -380.434
where: short stacking energy: -149.475
Base-Backbone interact. energy: -0.388
local terms energy: -153.063305
where:
bonds (distance) C4'-P energy: -30.164
bonds (distance) P-C4' energy: -25.738
flat angles C4'-P-C4' energy: -25.290
flat angles P-C4'-P energy: -23.594
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: 3, replica: 7
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -519.657801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.657801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.657801 (E_RNA)
where:
Base-Base interactions energy: -362.041
where: short stacking energy: -152.713
Base-Backbone interact. energy: -0.092
local terms energy: -157.524870
where:
bonds (distance) C4'-P energy: -30.148
bonds (distance) P-C4' energy: -25.249
flat angles C4'-P-C4' energy: -33.640
flat angles P-C4'-P energy: -22.076
tors. eta vs tors. theta energy: -46.412
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: 4, replica: 9
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -504.544383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.544383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.544383 (E_RNA)
where:
Base-Base interactions energy: -351.375
where: short stacking energy: -154.407
Base-Backbone interact. energy: -0.892
local terms energy: -152.276797
where:
bonds (distance) C4'-P energy: -20.000
bonds (distance) P-C4' energy: -32.319
flat angles C4'-P-C4' energy: -30.439
flat angles P-C4'-P energy: -24.370
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: 3
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -446.182912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.182912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.182912 (E_RNA)
where:
Base-Base interactions energy: -302.008
where: short stacking energy: -133.556
Base-Backbone interact. energy: -0.174
local terms energy: -144.001051
where:
bonds (distance) C4'-P energy: -26.033
bonds (distance) P-C4' energy: -27.769
flat angles C4'-P-C4' energy: -34.232
flat angles P-C4'-P energy: -20.179
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: 6, replica: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -459.047143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.047143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.047143 (E_RNA)
where:
Base-Base interactions energy: -337.513
where: short stacking energy: -141.770
Base-Backbone interact. energy: 0.360
local terms energy: -121.894187
where:
bonds (distance) C4'-P energy: -20.345
bonds (distance) P-C4' energy: -21.229
flat angles C4'-P-C4' energy: -25.385
flat angles P-C4'-P energy: -15.553
tors. eta vs tors. theta energy: -39.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -370.698907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.698907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.698907 (E_RNA)
where:
Base-Base interactions energy: -252.631
where: short stacking energy: -99.894
Base-Backbone interact. energy: 1.055
local terms energy: -119.123456
where:
bonds (distance) C4'-P energy: -28.219
bonds (distance) P-C4' energy: -19.043
flat angles C4'-P-C4' energy: -30.841
flat angles P-C4'-P energy: -18.601
tors. eta vs tors. theta energy: -22.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -394.358606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.358606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.358606 (E_RNA)
where:
Base-Base interactions energy: -263.801
where: short stacking energy: -121.229
Base-Backbone interact. energy: -0.166
local terms energy: -130.391591
where:
bonds (distance) C4'-P energy: -24.865
bonds (distance) P-C4' energy: -24.472
flat angles C4'-P-C4' energy: -25.494
flat angles P-C4'-P energy: -19.859
tors. eta vs tors. theta energy: -35.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -310.026607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.026607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.026607 (E_RNA)
where:
Base-Base interactions energy: -218.826
where: short stacking energy: -94.489
Base-Backbone interact. energy: -0.172
local terms energy: -91.027730
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -21.244
flat angles C4'-P-C4' energy: -24.076
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -14.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -128.692446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.692446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.692446 (E_RNA)
where:
Base-Base interactions energy: -54.477
where: short stacking energy: -43.296
Base-Backbone interact. energy: -0.466
local terms energy: -73.748851
where:
bonds (distance) C4'-P energy: -27.030
bonds (distance) P-C4' energy: -26.751
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -4.119
tors. eta vs tors. theta energy: -0.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -532.365224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.365224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.365224 (E_RNA)
where:
Base-Base interactions energy: -380.071
where: short stacking energy: -163.478
Base-Backbone interact. energy: -0.043
local terms energy: -152.251187
where:
bonds (distance) C4'-P energy: -25.005
bonds (distance) P-C4' energy: -27.001
flat angles C4'-P-C4' energy: -32.168
flat angles P-C4'-P energy: -20.083
tors. eta vs tors. theta energy: -47.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -533.007393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.007393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.007393 (E_RNA)
where:
Base-Base interactions energy: -374.204
where: short stacking energy: -154.010
Base-Backbone interact. energy: -0.002
local terms energy: -158.802067
where:
bonds (distance) C4'-P energy: -31.546
bonds (distance) P-C4' energy: -28.479
flat angles C4'-P-C4' energy: -30.284
flat angles P-C4'-P energy: -22.822
tors. eta vs tors. theta energy: -45.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -518.411426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.411426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.411426 (E_RNA)
where:
Base-Base interactions energy: -363.089
where: short stacking energy: -158.636
Base-Backbone interact. energy: -0.295
local terms energy: -155.027261
where:
bonds (distance) C4'-P energy: -25.943
bonds (distance) P-C4' energy: -28.373
flat angles C4'-P-C4' energy: -29.063
flat angles P-C4'-P energy: -23.437
tors. eta vs tors. theta energy: -48.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -514.232105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.232105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.232105 (E_RNA)
where:
Base-Base interactions energy: -363.639
where: short stacking energy: -151.903
Base-Backbone interact. energy: -0.008
local terms energy: -150.584266
where:
bonds (distance) C4'-P energy: -23.154
bonds (distance) P-C4' energy: -28.679
flat angles C4'-P-C4' energy: -30.603
flat angles P-C4'-P energy: -22.703
tors. eta vs tors. theta energy: -45.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -492.965569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.965569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.965569 (E_RNA)
where:
Base-Base interactions energy: -344.846
where: short stacking energy: -145.872
Base-Backbone interact. energy: -0.420
local terms energy: -147.699612
where:
bonds (distance) C4'-P energy: -26.021
bonds (distance) P-C4' energy: -26.297
flat angles C4'-P-C4' energy: -28.942
flat angles P-C4'-P energy: -16.926
tors. eta vs tors. theta energy: -49.514
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: 3
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -427.226514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.226514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.226514 (E_RNA)
where:
Base-Base interactions energy: -297.098
where: short stacking energy: -131.452
Base-Backbone interact. energy: -0.935
local terms energy: -129.194255
where:
bonds (distance) C4'-P energy: -27.934
bonds (distance) P-C4' energy: -25.853
flat angles C4'-P-C4' energy: -29.975
flat angles P-C4'-P energy: -10.947
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: 7, replica: 2
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -412.751276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.751276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.751276 (E_RNA)
where:
Base-Base interactions energy: -286.813
where: short stacking energy: -132.004
Base-Backbone interact. energy: -0.120
local terms energy: -125.817779
where:
bonds (distance) C4'-P energy: -20.724
bonds (distance) P-C4' energy: -25.760
flat angles C4'-P-C4' energy: -26.157
flat angles P-C4'-P energy: -16.586
tors. eta vs tors. theta energy: -36.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -363.423674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.423674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.423674 (E_RNA)
where:
Base-Base interactions energy: -247.574
where: short stacking energy: -105.674
Base-Backbone interact. energy: -0.169
local terms energy: -115.681500
where:
bonds (distance) C4'-P energy: -20.604
bonds (distance) P-C4' energy: -27.021
flat angles C4'-P-C4' energy: -26.725
flat angles P-C4'-P energy: -16.032
tors. eta vs tors. theta energy: -25.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -303.907561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.907561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.907561 (E_RNA)
where:
Base-Base interactions energy: -200.374
where: short stacking energy: -78.221
Base-Backbone interact. energy: 0.147
local terms energy: -103.680424
where:
bonds (distance) C4'-P energy: -28.150
bonds (distance) P-C4' energy: -23.384
flat angles C4'-P-C4' energy: -23.878
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -14.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -133.170037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.170037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.170037 (E_RNA)
where:
Base-Base interactions energy: -57.070
where: short stacking energy: -44.325
Base-Backbone interact. energy: 3.652
local terms energy: -79.752378
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -22.312
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -23.349
tors. eta vs tors. theta energy: -0.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -530.223311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.223311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.223311 (E_RNA)
where:
Base-Base interactions energy: -377.433
where: short stacking energy: -160.322
Base-Backbone interact. energy: -0.029
local terms energy: -152.761783
where:
bonds (distance) C4'-P energy: -26.905
bonds (distance) P-C4' energy: -30.250
flat angles C4'-P-C4' energy: -31.259
flat angles P-C4'-P energy: -18.471
tors. eta vs tors. theta energy: -45.877
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: 6
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -524.842063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.842063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.842063 (E_RNA)
where:
Base-Base interactions energy: -372.279
where: short stacking energy: -156.881
Base-Backbone interact. energy: -0.636
local terms energy: -151.927106
where:
bonds (distance) C4'-P energy: -24.500
bonds (distance) P-C4' energy: -31.688
flat angles C4'-P-C4' energy: -30.090
flat angles P-C4'-P energy: -18.781
tors. eta vs tors. theta energy: -46.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -517.796199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.796199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.796199 (E_RNA)
where:
Base-Base interactions energy: -359.218
where: short stacking energy: -144.809
Base-Backbone interact. energy: -0.241
local terms energy: -158.336618
where:
bonds (distance) C4'-P energy: -27.361
bonds (distance) P-C4' energy: -27.619
flat angles C4'-P-C4' energy: -34.787
flat angles P-C4'-P energy: -21.014
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: 4, replica: 4
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -513.299617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.299617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.299617 (E_RNA)
where:
Base-Base interactions energy: -370.500
where: short stacking energy: -146.472
Base-Backbone interact. energy: -0.066
local terms energy: -142.733025
where:
bonds (distance) C4'-P energy: -24.605
bonds (distance) P-C4' energy: -29.400
flat angles C4'-P-C4' energy: -27.702
flat angles P-C4'-P energy: -20.395
tors. eta vs tors. theta energy: -40.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -487.932534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.932534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.932534 (E_RNA)
where:
Base-Base interactions energy: -356.842
where: short stacking energy: -150.868
Base-Backbone interact. energy: -0.371
local terms energy: -130.719538
where:
bonds (distance) C4'-P energy: -28.629
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -28.510
flat angles P-C4'-P energy: -20.287
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: 379
Temperature: 1.150000
Total energy: -422.767473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.767473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.767473 (E_RNA)
where:
Base-Base interactions energy: -286.856
where: short stacking energy: -132.337
Base-Backbone interact. energy: -0.970
local terms energy: -134.941591
where:
bonds (distance) C4'-P energy: -24.135
bonds (distance) P-C4' energy: -25.567
flat angles C4'-P-C4' energy: -26.600
flat angles P-C4'-P energy: -19.549
tors. eta vs tors. theta energy: -39.090
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: 2
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -427.889040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.889040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.889040 (E_RNA)
where:
Base-Base interactions energy: -289.318
where: short stacking energy: -131.450
Base-Backbone interact. energy: -0.238
local terms energy: -138.332812
where:
bonds (distance) C4'-P energy: -20.125
bonds (distance) P-C4' energy: -30.415
flat angles C4'-P-C4' energy: -30.533
flat angles P-C4'-P energy: -20.825
tors. eta vs tors. theta energy: -36.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -353.058421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.058421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.058421 (E_RNA)
where:
Base-Base interactions energy: -226.745
where: short stacking energy: -105.356
Base-Backbone interact. energy: -0.850
local terms energy: -125.463881
where:
bonds (distance) C4'-P energy: -25.251
bonds (distance) P-C4' energy: -23.625
flat angles C4'-P-C4' energy: -28.399
flat angles P-C4'-P energy: -19.585
tors. eta vs tors. theta energy: -28.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -349.651606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.651606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.651606 (E_RNA)
where:
Base-Base interactions energy: -239.928
where: short stacking energy: -99.267
Base-Backbone interact. energy: -0.301
local terms energy: -109.422792
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -26.962
flat angles C4'-P-C4' energy: -27.884
flat angles P-C4'-P energy: -18.014
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: 10, replica: 5
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -141.579967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.579967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.579967 (E_RNA)
where:
Base-Base interactions energy: -46.398
where: short stacking energy: -44.813
Base-Backbone interact. energy: 0.149
local terms energy: -95.330778
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -29.214
flat angles C4'-P-C4' energy: -25.746
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -5.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -541.761944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.761944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.761944 (E_RNA)
where:
Base-Base interactions energy: -392.686
where: short stacking energy: -158.830
Base-Backbone interact. energy: -0.038
local terms energy: -149.037930
where:
bonds (distance) C4'-P energy: -30.696
bonds (distance) P-C4' energy: -28.305
flat angles C4'-P-C4' energy: -28.016
flat angles P-C4'-P energy: -20.582
tors. eta vs tors. theta energy: -41.439
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: 6
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -526.579008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.579008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.579008 (E_RNA)
where:
Base-Base interactions energy: -369.890
where: short stacking energy: -160.856
Base-Backbone interact. energy: -0.932
local terms energy: -155.756201
where:
bonds (distance) C4'-P energy: -31.413
bonds (distance) P-C4' energy: -29.550
flat angles C4'-P-C4' energy: -25.701
flat angles P-C4'-P energy: -23.646
tors. eta vs tors. theta energy: -45.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -508.973330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.973330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.973330 (E_RNA)
where:
Base-Base interactions energy: -368.496
where: short stacking energy: -146.279
Base-Backbone interact. energy: -0.586
local terms energy: -139.891592
where:
bonds (distance) C4'-P energy: -23.065
bonds (distance) P-C4' energy: -27.300
flat angles C4'-P-C4' energy: -25.119
flat angles P-C4'-P energy: -20.049
tors. eta vs tors. theta energy: -44.358
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: 380
Temperature: 1.050000
Total energy: -507.372571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.372571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.372571 (E_RNA)
where:
Base-Base interactions energy: -360.399
where: short stacking energy: -151.122
Base-Backbone interact. energy: -0.018
local terms energy: -146.955758
where:
bonds (distance) C4'-P energy: -23.610
bonds (distance) P-C4' energy: -22.320
flat angles C4'-P-C4' energy: -33.743
flat angles P-C4'-P energy: -17.664
tors. eta vs tors. theta energy: -49.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -501.809797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.809797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.809797 (E_RNA)
where:
Base-Base interactions energy: -361.129
where: short stacking energy: -150.634
Base-Backbone interact. energy: -0.005
local terms energy: -140.676257
where:
bonds (distance) C4'-P energy: -26.736
bonds (distance) P-C4' energy: -21.083
flat angles C4'-P-C4' energy: -29.789
flat angles P-C4'-P energy: -15.122
tors. eta vs tors. theta energy: -47.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -441.804062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.804062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.804062 (E_RNA)
where:
Base-Base interactions energy: -300.500
where: short stacking energy: -141.764
Base-Backbone interact. energy: -0.060
local terms energy: -141.244221
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -25.250
flat angles C4'-P-C4' energy: -30.593
flat angles P-C4'-P energy: -25.651
tors. eta vs tors. theta energy: -44.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -347.779887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.779887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.779887 (E_RNA)
where:
Base-Base interactions energy: -235.724
where: short stacking energy: -105.912
Base-Backbone interact. energy: -0.110
local terms energy: -111.945482
where:
bonds (distance) C4'-P energy: -29.215
bonds (distance) P-C4' energy: -26.392
flat angles C4'-P-C4' energy: -24.003
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -22.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -404.512493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.512493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.512493 (E_RNA)
where:
Base-Base interactions energy: -268.120
where: short stacking energy: -125.736
Base-Backbone interact. energy: -0.986
local terms energy: -135.407269
where:
bonds (distance) C4'-P energy: -23.804
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -33.816
flat angles P-C4'-P energy: -21.483
tors. eta vs tors. theta energy: -34.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -354.286379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.286379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.286379 (E_RNA)
where:
Base-Base interactions energy: -236.848
where: short stacking energy: -96.143
Base-Backbone interact. energy: 0.058
local terms energy: -117.496555
where:
bonds (distance) C4'-P energy: -20.431
bonds (distance) P-C4' energy: -27.944
flat angles C4'-P-C4' energy: -22.263
flat angles P-C4'-P energy: -18.573
tors. eta vs tors. theta energy: -28.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -146.470969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.470969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.470969 (E_RNA)
where:
Base-Base interactions energy: -48.401
where: short stacking energy: -45.774
Base-Backbone interact. energy: -0.138
local terms energy: -97.931968
where:
bonds (distance) C4'-P energy: -27.463
bonds (distance) P-C4' energy: -25.230
flat angles C4'-P-C4' energy: -26.344
flat angles P-C4'-P energy: -16.913
tors. eta vs tors. theta energy: -1.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -538.587419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.587419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.587419 (E_RNA)
where:
Base-Base interactions energy: -381.413
where: short stacking energy: -152.475
Base-Backbone interact. energy: -0.502
local terms energy: -156.672313
where:
bonds (distance) C4'-P energy: -27.899
bonds (distance) P-C4' energy: -30.736
flat angles C4'-P-C4' energy: -33.379
flat angles P-C4'-P energy: -19.796
tors. eta vs tors. theta energy: -44.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -513.317642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.317642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.317642 (E_RNA)
where:
Base-Base interactions energy: -369.660
where: short stacking energy: -146.336
Base-Backbone interact. energy: -0.762
local terms energy: -142.896078
where:
bonds (distance) C4'-P energy: -23.726
bonds (distance) P-C4' energy: -27.736
flat angles C4'-P-C4' energy: -30.602
flat angles P-C4'-P energy: -18.948
tors. eta vs tors. theta energy: -41.884
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: 3, replica: 6
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -519.706493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.706493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.706493 (E_RNA)
where:
Base-Base interactions energy: -370.068
where: short stacking energy: -156.226
Base-Backbone interact. energy: -0.048
local terms energy: -149.590463
where:
bonds (distance) C4'-P energy: -28.908
bonds (distance) P-C4' energy: -27.549
flat angles C4'-P-C4' energy: -29.628
flat angles P-C4'-P energy: -19.023
tors. eta vs tors. theta energy: -44.483
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: 7
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -504.637139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.637139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.637139 (E_RNA)
where:
Base-Base interactions energy: -367.707
where: short stacking energy: -145.090
Base-Backbone interact. energy: -0.065
local terms energy: -136.865641
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -19.751
flat angles C4'-P-C4' energy: -28.187
flat angles P-C4'-P energy: -25.210
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: 381
Temperature: 1.100000
Total energy: -498.110193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.110193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.110193 (E_RNA)
where:
Base-Base interactions energy: -346.896
where: short stacking energy: -140.615
Base-Backbone interact. energy: -0.148
local terms energy: -151.066574
where:
bonds (distance) C4'-P energy: -30.564
bonds (distance) P-C4' energy: -24.046
flat angles C4'-P-C4' energy: -28.357
flat angles P-C4'-P energy: -21.932
tors. eta vs tors. theta energy: -46.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -448.077902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.077902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.077902 (E_RNA)
where:
Base-Base interactions energy: -302.485
where: short stacking energy: -135.381
Base-Backbone interact. energy: -1.209
local terms energy: -144.383849
where:
bonds (distance) C4'-P energy: -24.904
bonds (distance) P-C4' energy: -28.512
flat angles C4'-P-C4' energy: -32.498
flat angles P-C4'-P energy: -20.688
tors. eta vs tors. theta energy: -37.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -368.486275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.486275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.486275 (E_RNA)
where:
Base-Base interactions energy: -247.354
where: short stacking energy: -106.104
Base-Backbone interact. energy: -0.141
local terms energy: -120.991370
where:
bonds (distance) C4'-P energy: -30.312
bonds (distance) P-C4' energy: -23.798
flat angles C4'-P-C4' energy: -29.747
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -26.887
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: 2
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -395.109252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.109252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.109252 (E_RNA)
where:
Base-Base interactions energy: -269.977
where: short stacking energy: -119.917
Base-Backbone interact. energy: -0.157
local terms energy: -124.974842
where:
bonds (distance) C4'-P energy: -29.829
bonds (distance) P-C4' energy: -22.987
flat angles C4'-P-C4' energy: -27.215
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -33.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -319.339403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.339403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.339403 (E_RNA)
where:
Base-Base interactions energy: -211.047
where: short stacking energy: -89.056
Base-Backbone interact. energy: -0.179
local terms energy: -108.112992
where:
bonds (distance) C4'-P energy: -20.054
bonds (distance) P-C4' energy: -27.646
flat angles C4'-P-C4' energy: -32.328
flat angles P-C4'-P energy: -14.323
tors. eta vs tors. theta energy: -13.763
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: 10, replica: 5
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -143.315059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.315059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.315059 (E_RNA)
where:
Base-Base interactions energy: -60.917
where: short stacking energy: -39.025
Base-Backbone interact. energy: 0.605
local terms energy: -83.003225
where:
bonds (distance) C4'-P energy: -25.325
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -25.911
flat angles P-C4'-P energy: -17.643
tors. eta vs tors. theta energy: 1.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -535.652918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.652918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.652918 (E_RNA)
where:
Base-Base interactions energy: -377.594
where: short stacking energy: -157.754
Base-Backbone interact. energy: -0.559
local terms energy: -157.499782
where:
bonds (distance) C4'-P energy: -27.431
bonds (distance) P-C4' energy: -29.636
flat angles C4'-P-C4' energy: -32.812
flat angles P-C4'-P energy: -22.878
tors. eta vs tors. theta energy: -44.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -523.894585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.894585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.894585 (E_RNA)
where:
Base-Base interactions energy: -375.007
where: short stacking energy: -151.594
Base-Backbone interact. energy: -0.948
local terms energy: -147.940279
where:
bonds (distance) C4'-P energy: -30.376
bonds (distance) P-C4' energy: -25.822
flat angles C4'-P-C4' energy: -30.163
flat angles P-C4'-P energy: -18.986
tors. eta vs tors. theta energy: -42.593
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: 7
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -533.939900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.939900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.939900 (E_RNA)
where:
Base-Base interactions energy: -382.965
where: short stacking energy: -151.963
Base-Backbone interact. energy: -0.434
local terms energy: -150.541517
where:
bonds (distance) C4'-P energy: -27.853
bonds (distance) P-C4' energy: -27.102
flat angles C4'-P-C4' energy: -29.539
flat angles P-C4'-P energy: -21.961
tors. eta vs tors. theta energy: -44.086
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: 6
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -526.353259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.353259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.353259 (E_RNA)
where:
Base-Base interactions energy: -366.707
where: short stacking energy: -151.160
Base-Backbone interact. energy: 0.404
local terms energy: -160.050229
where:
bonds (distance) C4'-P energy: -31.692
bonds (distance) P-C4' energy: -28.736
flat angles C4'-P-C4' energy: -30.677
flat angles P-C4'-P energy: -26.275
tors. eta vs tors. theta energy: -42.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -494.697774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.697774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.697774 (E_RNA)
where:
Base-Base interactions energy: -350.478
where: short stacking energy: -146.513
Base-Backbone interact. energy: -0.372
local terms energy: -143.847593
where:
bonds (distance) C4'-P energy: -25.964
bonds (distance) P-C4' energy: -27.994
flat angles C4'-P-C4' energy: -30.325
flat angles P-C4'-P energy: -19.313
tors. eta vs tors. theta energy: -40.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -446.636734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.636734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.636734 (E_RNA)
where:
Base-Base interactions energy: -307.764
where: short stacking energy: -132.452
Base-Backbone interact. energy: -0.071
local terms energy: -138.801404
where:
bonds (distance) C4'-P energy: -24.587
bonds (distance) P-C4' energy: -25.937
flat angles C4'-P-C4' energy: -29.219
flat angles P-C4'-P energy: -21.418
tors. eta vs tors. theta energy: -37.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -377.362896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.362896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.362896 (E_RNA)
where:
Base-Base interactions energy: -259.823
where: short stacking energy: -108.768
Base-Backbone interact. energy: 0.326
local terms energy: -117.865949
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -28.469
flat angles C4'-P-C4' energy: -25.617
flat angles P-C4'-P energy: -18.330
tors. eta vs tors. theta energy: -26.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -338.065031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.065031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.065031 (E_RNA)
where:
Base-Base interactions energy: -225.944
where: short stacking energy: -105.079
Base-Backbone interact. energy: 1.483
local terms energy: -113.604510
where:
bonds (distance) C4'-P energy: -28.027
bonds (distance) P-C4' energy: -23.962
flat angles C4'-P-C4' energy: -24.353
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -24.251
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: 9, replica: 1
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -314.133284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.133284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.133284 (E_RNA)
where:
Base-Base interactions energy: -209.909
where: short stacking energy: -84.534
Base-Backbone interact. energy: -0.147
local terms energy: -104.077228
where:
bonds (distance) C4'-P energy: -23.054
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -24.069
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -24.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -131.729304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.729304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.729304 (E_RNA)
where:
Base-Base interactions energy: -45.103
where: short stacking energy: -45.029
Base-Backbone interact. energy: -0.028
local terms energy: -86.597809
where:
bonds (distance) C4'-P energy: -22.588
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -25.228
flat angles P-C4'-P energy: -13.884
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: 8
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -535.230881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.230881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.230881 (E_RNA)
where:
Base-Base interactions energy: -380.970
where: short stacking energy: -155.343
Base-Backbone interact. energy: -0.066
local terms energy: -154.194584
where:
bonds (distance) C4'-P energy: -22.826
bonds (distance) P-C4' energy: -31.245
flat angles C4'-P-C4' energy: -31.058
flat angles P-C4'-P energy: -23.053
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: 7
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -525.995467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.995467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.995467 (E_RNA)
where:
Base-Base interactions energy: -366.386
where: short stacking energy: -149.319
Base-Backbone interact. energy: -0.269
local terms energy: -159.340918
where:
bonds (distance) C4'-P energy: -26.591
bonds (distance) P-C4' energy: -32.200
flat angles C4'-P-C4' energy: -30.662
flat angles P-C4'-P energy: -21.921
tors. eta vs tors. theta energy: -47.967
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: 4
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -516.497043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.497043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.497043 (E_RNA)
where:
Base-Base interactions energy: -374.085
where: short stacking energy: -153.516
Base-Backbone interact. energy: -0.314
local terms energy: -142.097810
where:
bonds (distance) C4'-P energy: -20.193
bonds (distance) P-C4' energy: -25.693
flat angles C4'-P-C4' energy: -31.164
flat angles P-C4'-P energy: -19.689
tors. eta vs tors. theta energy: -45.359
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: 4, replica: 6
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -502.285683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.285683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.285683 (E_RNA)
where:
Base-Base interactions energy: -353.916
where: short stacking energy: -138.622
Base-Backbone interact. energy: -0.005
local terms energy: -148.364461
where:
bonds (distance) C4'-P energy: -25.879
bonds (distance) P-C4' energy: -27.838
flat angles C4'-P-C4' energy: -29.360
flat angles P-C4'-P energy: -18.730
tors. eta vs tors. theta energy: -46.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -500.053845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.053845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.053845 (E_RNA)
where:
Base-Base interactions energy: -355.719
where: short stacking energy: -136.842
Base-Backbone interact. energy: -0.153
local terms energy: -144.182319
where:
bonds (distance) C4'-P energy: -26.950
bonds (distance) P-C4' energy: -28.806
flat angles C4'-P-C4' energy: -33.553
flat angles P-C4'-P energy: -17.156
tors. eta vs tors. theta energy: -37.717
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: 383
Temperature: 1.150000
Total energy: -448.003585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.003585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.003585 (E_RNA)
where:
Base-Base interactions energy: -311.752
where: short stacking energy: -146.982
Base-Backbone interact. energy: -0.113
local terms energy: -136.139181
where:
bonds (distance) C4'-P energy: -28.430
bonds (distance) P-C4' energy: -23.492
flat angles C4'-P-C4' energy: -25.971
flat angles P-C4'-P energy: -16.167
tors. eta vs tors. theta energy: -42.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -417.941364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.941364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.941364 (E_RNA)
where:
Base-Base interactions energy: -288.069
where: short stacking energy: -131.673
Base-Backbone interact. energy: -0.747
local terms energy: -129.124910
where:
bonds (distance) C4'-P energy: -27.550
bonds (distance) P-C4' energy: -24.720
flat angles C4'-P-C4' energy: -25.013
flat angles P-C4'-P energy: -22.389
tors. eta vs tors. theta energy: -29.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -326.576051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.576051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.576051 (E_RNA)
where:
Base-Base interactions energy: -228.981
where: short stacking energy: -96.158
Base-Backbone interact. energy: -0.158
local terms energy: -97.437399
where:
bonds (distance) C4'-P energy: -19.595
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -27.544
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -16.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -312.064093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.064093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.064093 (E_RNA)
where:
Base-Base interactions energy: -215.699
where: short stacking energy: -81.265
Base-Backbone interact. energy: -0.858
local terms energy: -95.507281
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -26.735
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -18.652
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: 5
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -131.602578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.602578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.602578 (E_RNA)
where:
Base-Base interactions energy: -51.010
where: short stacking energy: -39.607
Base-Backbone interact. energy: -0.284
local terms energy: -80.309332
where:
bonds (distance) C4'-P energy: -19.660
bonds (distance) P-C4' energy: -25.815
flat angles C4'-P-C4' energy: -20.922
flat angles P-C4'-P energy: -15.249
tors. eta vs tors. theta energy: 1.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -532.585254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.585254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.585254 (E_RNA)
where:
Base-Base interactions energy: -377.934
where: short stacking energy: -148.091
Base-Backbone interact. energy: -0.201
local terms energy: -154.449503
where:
bonds (distance) C4'-P energy: -29.286
bonds (distance) P-C4' energy: -30.618
flat angles C4'-P-C4' energy: -31.253
flat angles P-C4'-P energy: -21.388
tors. eta vs tors. theta energy: -41.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -527.042512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.042512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.042512 (E_RNA)
where:
Base-Base interactions energy: -377.697
where: short stacking energy: -161.579
Base-Backbone interact. energy: -0.905
local terms energy: -148.440794
where:
bonds (distance) C4'-P energy: -19.317
bonds (distance) P-C4' energy: -28.580
flat angles C4'-P-C4' energy: -28.191
flat angles P-C4'-P energy: -24.837
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: 3, replica: 6
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -511.673105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.673105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.673105 (E_RNA)
where:
Base-Base interactions energy: -358.834
where: short stacking energy: -147.725
Base-Backbone interact. energy: -0.332
local terms energy: -152.506898
where:
bonds (distance) C4'-P energy: -25.807
bonds (distance) P-C4' energy: -28.134
flat angles C4'-P-C4' energy: -29.205
flat angles P-C4'-P energy: -24.230
tors. eta vs tors. theta energy: -45.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -502.191581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.191581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.191581 (E_RNA)
where:
Base-Base interactions energy: -358.900
where: short stacking energy: -155.353
Base-Backbone interact. energy: -0.646
local terms energy: -142.645386
where:
bonds (distance) C4'-P energy: -28.899
bonds (distance) P-C4' energy: -19.615
flat angles C4'-P-C4' energy: -30.372
flat angles P-C4'-P energy: -18.715
tors. eta vs tors. theta energy: -45.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -441.689957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.689957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.689957 (E_RNA)
where:
Base-Base interactions energy: -298.994
where: short stacking energy: -123.587
Base-Backbone interact. energy: -0.336
local terms energy: -142.359752
where:
bonds (distance) C4'-P energy: -27.730
bonds (distance) P-C4' energy: -27.113
flat angles C4'-P-C4' energy: -31.707
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: -39.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -499.329921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.329921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.329921 (E_RNA)
where:
Base-Base interactions energy: -350.466
where: short stacking energy: -135.282
Base-Backbone interact. energy: 0.682
local terms energy: -149.545238
where:
bonds (distance) C4'-P energy: -26.531
bonds (distance) P-C4' energy: -31.060
flat angles C4'-P-C4' energy: -31.995
flat angles P-C4'-P energy: -21.495
tors. eta vs tors. theta energy: -38.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -418.335475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.335475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.335475 (E_RNA)
where:
Base-Base interactions energy: -289.530
where: short stacking energy: -123.912
Base-Backbone interact. energy: -0.269
local terms energy: -128.535726
where:
bonds (distance) C4'-P energy: -23.682
bonds (distance) P-C4' energy: -25.237
flat angles C4'-P-C4' energy: -28.174
flat angles P-C4'-P energy: -19.066
tors. eta vs tors. theta energy: -32.377
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: 10
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -340.153064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.153064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.153064 (E_RNA)
where:
Base-Base interactions energy: -223.882
where: short stacking energy: -89.322
Base-Backbone interact. energy: -0.177
local terms energy: -116.093970
where:
bonds (distance) C4'-P energy: -24.877
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -29.278
flat angles P-C4'-P energy: -18.661
tors. eta vs tors. theta energy: -21.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -314.495577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.495577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.495577 (E_RNA)
where:
Base-Base interactions energy: -218.635
where: short stacking energy: -90.103
Base-Backbone interact. energy: -0.791
local terms energy: -95.069499
where:
bonds (distance) C4'-P energy: -21.526
bonds (distance) P-C4' energy: -27.275
flat angles C4'-P-C4' energy: -19.201
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -16.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -142.206441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.206441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.206441 (E_RNA)
where:
Base-Base interactions energy: -49.429
where: short stacking energy: -44.231
Base-Backbone interact. energy: -0.232
local terms energy: -92.546115
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -28.313
flat angles C4'-P-C4' energy: -22.846
flat angles P-C4'-P energy: -15.129
tors. eta vs tors. theta energy: -9.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -530.940628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.940628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.940628 (E_RNA)
where:
Base-Base interactions energy: -379.720
where: short stacking energy: -155.199
Base-Backbone interact. energy: -1.340
local terms energy: -149.880521
where:
bonds (distance) C4'-P energy: -24.906
bonds (distance) P-C4' energy: -25.611
flat angles C4'-P-C4' energy: -30.417
flat angles P-C4'-P energy: -19.866
tors. eta vs tors. theta energy: -49.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -522.359570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.359570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.359570 (E_RNA)
where:
Base-Base interactions energy: -367.734
where: short stacking energy: -155.003
Base-Backbone interact. energy: -1.259
local terms energy: -153.367245
where:
bonds (distance) C4'-P energy: -29.390
bonds (distance) P-C4' energy: -23.841
flat angles C4'-P-C4' energy: -29.699
flat angles P-C4'-P energy: -24.185
tors. eta vs tors. theta energy: -46.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -521.095112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.095112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.095112 (E_RNA)
where:
Base-Base interactions energy: -373.688
where: short stacking energy: -160.777
Base-Backbone interact. energy: -0.403
local terms energy: -147.004021
where:
bonds (distance) C4'-P energy: -23.569
bonds (distance) P-C4' energy: -25.106
flat angles C4'-P-C4' energy: -29.977
flat angles P-C4'-P energy: -22.853
tors. eta vs tors. theta energy: -45.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -498.788126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.788126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.788126 (E_RNA)
where:
Base-Base interactions energy: -352.651
where: short stacking energy: -144.990
Base-Backbone interact. energy: -0.319
local terms energy: -145.818131
where:
bonds (distance) C4'-P energy: -26.112
bonds (distance) P-C4' energy: -25.168
flat angles C4'-P-C4' energy: -28.497
flat angles P-C4'-P energy: -16.535
tors. eta vs tors. theta energy: -49.507
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: 385
Temperature: 1.100000
Total energy: -444.853840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.853840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.853840 (E_RNA)
where:
Base-Base interactions energy: -307.089
where: short stacking energy: -131.928
Base-Backbone interact. energy: -0.004
local terms energy: -137.761213
where:
bonds (distance) C4'-P energy: -21.569
bonds (distance) P-C4' energy: -29.914
flat angles C4'-P-C4' energy: -31.766
flat angles P-C4'-P energy: -19.156
tors. eta vs tors. theta energy: -35.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -499.588667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.588667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.588667 (E_RNA)
where:
Base-Base interactions energy: -355.722
where: short stacking energy: -139.599
Base-Backbone interact. energy: -0.234
local terms energy: -143.632664
where:
bonds (distance) C4'-P energy: -25.651
bonds (distance) P-C4' energy: -25.603
flat angles C4'-P-C4' energy: -25.692
flat angles P-C4'-P energy: -23.444
tors. eta vs tors. theta energy: -43.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -424.641119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.641119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.641119 (E_RNA)
where:
Base-Base interactions energy: -288.793
where: short stacking energy: -136.219
Base-Backbone interact. energy: -0.647
local terms energy: -135.201033
where:
bonds (distance) C4'-P energy: -19.670
bonds (distance) P-C4' energy: -18.536
flat angles C4'-P-C4' energy: -28.244
flat angles P-C4'-P energy: -25.625
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: 8, replica: 10
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -348.322327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.322327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.322327 (E_RNA)
where:
Base-Base interactions energy: -227.513
where: short stacking energy: -90.737
Base-Backbone interact. energy: -0.451
local terms energy: -120.358580
where:
bonds (distance) C4'-P energy: -23.709
bonds (distance) P-C4' energy: -25.587
flat angles C4'-P-C4' energy: -27.723
flat angles P-C4'-P energy: -19.111
tors. eta vs tors. theta energy: -24.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -301.103969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.103969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.103969 (E_RNA)
where:
Base-Base interactions energy: -213.618
where: short stacking energy: -104.822
Base-Backbone interact. energy: -0.361
local terms energy: -87.125163
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -22.332
flat angles C4'-P-C4' energy: -20.316
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -15.949
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: 5
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -142.489085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.489085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.489085 (E_RNA)
where:
Base-Base interactions energy: -48.922
where: short stacking energy: -42.873
Base-Backbone interact. energy: -0.686
local terms energy: -92.880336
where:
bonds (distance) C4'-P energy: -27.801
bonds (distance) P-C4' energy: -28.863
flat angles C4'-P-C4' energy: -20.203
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -4.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -543.463709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.463709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.463709 (E_RNA)
where:
Base-Base interactions energy: -388.069
where: short stacking energy: -166.916
Base-Backbone interact. energy: -0.414
local terms energy: -154.981043
where:
bonds (distance) C4'-P energy: -29.121
bonds (distance) P-C4' energy: -28.242
flat angles C4'-P-C4' energy: -28.266
flat angles P-C4'-P energy: -19.970
tors. eta vs tors. theta energy: -49.382
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: 2, replica: 7
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -532.820397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.820397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.820397 (E_RNA)
where:
Base-Base interactions energy: -371.064
where: short stacking energy: -153.523
Base-Backbone interact. energy: -0.624
local terms energy: -161.132061
where:
bonds (distance) C4'-P energy: -25.990
bonds (distance) P-C4' energy: -30.571
flat angles C4'-P-C4' energy: -29.498
flat angles P-C4'-P energy: -27.699
tors. eta vs tors. theta energy: -47.374
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: 4
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -510.932667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.932667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.932667 (E_RNA)
where:
Base-Base interactions energy: -350.168
where: short stacking energy: -150.153
Base-Backbone interact. energy: -0.771
local terms energy: -159.993664
where:
bonds (distance) C4'-P energy: -26.263
bonds (distance) P-C4' energy: -29.588
flat angles C4'-P-C4' energy: -33.046
flat angles P-C4'-P energy: -23.772
tors. eta vs tors. theta energy: -47.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -513.289167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.289167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.289167 (E_RNA)
where:
Base-Base interactions energy: -368.498
where: short stacking energy: -154.145
Base-Backbone interact. energy: -1.494
local terms energy: -143.296783
where:
bonds (distance) C4'-P energy: -23.173
bonds (distance) P-C4' energy: -28.103
flat angles C4'-P-C4' energy: -33.190
flat angles P-C4'-P energy: -16.955
tors. eta vs tors. theta energy: -41.876
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: 9
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -505.628317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.628317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.628317 (E_RNA)
where:
Base-Base interactions energy: -356.783
where: short stacking energy: -146.191
Base-Backbone interact. energy: -0.045
local terms energy: -148.799647
where:
bonds (distance) C4'-P energy: -25.846
bonds (distance) P-C4' energy: -28.512
flat angles C4'-P-C4' energy: -30.471
flat angles P-C4'-P energy: -19.735
tors. eta vs tors. theta energy: -44.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -436.068116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.068116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.068116 (E_RNA)
where:
Base-Base interactions energy: -296.620
where: short stacking energy: -133.649
Base-Backbone interact. energy: -0.217
local terms energy: -139.231913
where:
bonds (distance) C4'-P energy: -21.525
bonds (distance) P-C4' energy: -30.558
flat angles C4'-P-C4' energy: -22.792
flat angles P-C4'-P energy: -19.677
tors. eta vs tors. theta energy: -44.680
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: 2
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -427.168909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.168909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.168909 (E_RNA)
where:
Base-Base interactions energy: -296.746
where: short stacking energy: -140.275
Base-Backbone interact. energy: -0.121
local terms energy: -130.301851
where:
bonds (distance) C4'-P energy: -23.428
bonds (distance) P-C4' energy: -26.717
flat angles C4'-P-C4' energy: -28.811
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -39.983
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: 8, replica: 10
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -334.780473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.780473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.780473 (E_RNA)
where:
Base-Base interactions energy: -230.542
where: short stacking energy: -92.504
Base-Backbone interact. energy: -0.314
local terms energy: -103.924510
where:
bonds (distance) C4'-P energy: -22.827
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -27.999
flat angles P-C4'-P energy: -19.526
tors. eta vs tors. theta energy: -19.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -327.906952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.906952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.906952 (E_RNA)
where:
Base-Base interactions energy: -213.622
where: short stacking energy: -92.697
Base-Backbone interact. energy: -0.410
local terms energy: -113.875229
where:
bonds (distance) C4'-P energy: -25.185
bonds (distance) P-C4' energy: -26.246
flat angles C4'-P-C4' energy: -25.923
flat angles P-C4'-P energy: -15.161
tors. eta vs tors. theta energy: -21.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -137.967327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.967327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.967327 (E_RNA)
where:
Base-Base interactions energy: -52.049
where: short stacking energy: -52.449
Base-Backbone interact. energy: 0.369
local terms energy: -86.287129
where:
bonds (distance) C4'-P energy: -22.836
bonds (distance) P-C4' energy: -22.720
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -14.344
tors. eta vs tors. theta energy: -7.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -538.659006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.659006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.659006 (E_RNA)
where:
Base-Base interactions energy: -381.493
where: short stacking energy: -146.573
Base-Backbone interact. energy: -0.209
local terms energy: -156.956814
where:
bonds (distance) C4'-P energy: -27.000
bonds (distance) P-C4' energy: -26.098
flat angles C4'-P-C4' energy: -32.407
flat angles P-C4'-P energy: -25.240
tors. eta vs tors. theta energy: -46.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -514.364066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.364066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.364066 (E_RNA)
where:
Base-Base interactions energy: -370.291
where: short stacking energy: -151.015
Base-Backbone interact. energy: 1.628
local terms energy: -145.700770
where:
bonds (distance) C4'-P energy: -25.705
bonds (distance) P-C4' energy: -26.761
flat angles C4'-P-C4' energy: -25.833
flat angles P-C4'-P energy: -21.001
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: 3, replica: 4
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -501.820649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.820649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.820649 (E_RNA)
where:
Base-Base interactions energy: -353.051
where: short stacking energy: -153.927
Base-Backbone interact. energy: -2.470
local terms energy: -146.300386
where:
bonds (distance) C4'-P energy: -22.372
bonds (distance) P-C4' energy: -25.672
flat angles C4'-P-C4' energy: -29.927
flat angles P-C4'-P energy: -20.916
tors. eta vs tors. theta energy: -47.414
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: 387
Temperature: 1.050000
Total energy: -505.659136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.659136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.659136 (E_RNA)
where:
Base-Base interactions energy: -354.077
where: short stacking energy: -146.503
Base-Backbone interact. energy: -0.155
local terms energy: -151.427135
where:
bonds (distance) C4'-P energy: -30.385
bonds (distance) P-C4' energy: -26.020
flat angles C4'-P-C4' energy: -29.951
flat angles P-C4'-P energy: -19.412
tors. eta vs tors. theta energy: -45.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -501.456973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.456973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.456973 (E_RNA)
where:
Base-Base interactions energy: -355.399
where: short stacking energy: -153.009
Base-Backbone interact. energy: -1.512
local terms energy: -144.546098
where:
bonds (distance) C4'-P energy: -21.466
bonds (distance) P-C4' energy: -29.239
flat angles C4'-P-C4' energy: -28.688
flat angles P-C4'-P energy: -20.243
tors. eta vs tors. theta energy: -44.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -428.218701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.218701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.218701 (E_RNA)
where:
Base-Base interactions energy: -291.007
where: short stacking energy: -130.931
Base-Backbone interact. energy: -0.709
local terms energy: -136.503594
where:
bonds (distance) C4'-P energy: -23.702
bonds (distance) P-C4' energy: -29.673
flat angles C4'-P-C4' energy: -27.139
flat angles P-C4'-P energy: -19.021
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: 7, replica: 3
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -419.386183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.386183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.386183 (E_RNA)
where:
Base-Base interactions energy: -280.041
where: short stacking energy: -128.824
Base-Backbone interact. energy: -0.135
local terms energy: -139.210709
where:
bonds (distance) C4'-P energy: -22.882
bonds (distance) P-C4' energy: -28.433
flat angles C4'-P-C4' energy: -24.218
flat angles P-C4'-P energy: -22.211
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: 8, replica: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -326.176976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.176976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.176976 (E_RNA)
where:
Base-Base interactions energy: -216.575
where: short stacking energy: -87.977
Base-Backbone interact. energy: -0.636
local terms energy: -108.966003
where:
bonds (distance) C4'-P energy: -23.499
bonds (distance) P-C4' energy: -29.215
flat angles C4'-P-C4' energy: -23.650
flat angles P-C4'-P energy: -15.821
tors. eta vs tors. theta energy: -16.782
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: 1
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -329.024864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.024864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.024864 (E_RNA)
where:
Base-Base interactions energy: -227.998
where: short stacking energy: -102.758
Base-Backbone interact. energy: -0.082
local terms energy: -100.944532
where:
bonds (distance) C4'-P energy: -24.069
bonds (distance) P-C4' energy: -21.604
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -17.369
tors. eta vs tors. theta energy: -20.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -140.656857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.656857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.656857 (E_RNA)
where:
Base-Base interactions energy: -50.224
where: short stacking energy: -37.684
Base-Backbone interact. energy: -0.492
local terms energy: -89.940439
where:
bonds (distance) C4'-P energy: -25.755
bonds (distance) P-C4' energy: -25.253
flat angles C4'-P-C4' energy: -26.046
flat angles P-C4'-P energy: -8.872
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: 1, replica: 7
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -542.151416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.151416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.151416 (E_RNA)
where:
Base-Base interactions energy: -395.668
where: short stacking energy: -153.639
Base-Backbone interact. energy: -0.090
local terms energy: -146.392982
where:
bonds (distance) C4'-P energy: -30.354
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -35.260
flat angles P-C4'-P energy: -18.427
tors. eta vs tors. theta energy: -44.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -533.006847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.006847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.006847 (E_RNA)
where:
Base-Base interactions energy: -387.667
where: short stacking energy: -156.854
Base-Backbone interact. energy: -0.015
local terms energy: -145.325029
where:
bonds (distance) C4'-P energy: -28.300
bonds (distance) P-C4' energy: -20.109
flat angles C4'-P-C4' energy: -27.193
flat angles P-C4'-P energy: -24.123
tors. eta vs tors. theta energy: -45.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -518.360140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.360140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.360140 (E_RNA)
where:
Base-Base interactions energy: -365.908
where: short stacking energy: -150.442
Base-Backbone interact. energy: 0.287
local terms energy: -152.738459
where:
bonds (distance) C4'-P energy: -28.391
bonds (distance) P-C4' energy: -24.117
flat angles C4'-P-C4' energy: -32.935
flat angles P-C4'-P energy: -22.725
tors. eta vs tors. theta energy: -44.571
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: 4
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -499.722627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.722627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.722627 (E_RNA)
where:
Base-Base interactions energy: -349.790
where: short stacking energy: -154.348
Base-Backbone interact. energy: -1.025
local terms energy: -148.907806
where:
bonds (distance) C4'-P energy: -25.237
bonds (distance) P-C4' energy: -28.108
flat angles C4'-P-C4' energy: -29.532
flat angles P-C4'-P energy: -20.189
tors. eta vs tors. theta energy: -45.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -501.060143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.060143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.060143 (E_RNA)
where:
Base-Base interactions energy: -355.096
where: short stacking energy: -144.659
Base-Backbone interact. energy: -0.013
local terms energy: -145.951977
where:
bonds (distance) C4'-P energy: -29.849
bonds (distance) P-C4' energy: -25.813
flat angles C4'-P-C4' energy: -25.926
flat angles P-C4'-P energy: -18.919
tors. eta vs tors. theta energy: -45.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -430.051054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.051054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.051054 (E_RNA)
where:
Base-Base interactions energy: -295.058
where: short stacking energy: -130.695
Base-Backbone interact. energy: 1.601
local terms energy: -136.594369
where:
bonds (distance) C4'-P energy: -25.012
bonds (distance) P-C4' energy: -27.487
flat angles C4'-P-C4' energy: -29.380
flat angles P-C4'-P energy: -22.842
tors. eta vs tors. theta energy: -31.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -426.129608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.129608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.129608 (E_RNA)
where:
Base-Base interactions energy: -287.387
where: short stacking energy: -133.897
Base-Backbone interact. energy: -0.091
local terms energy: -138.650799
where:
bonds (distance) C4'-P energy: -23.251
bonds (distance) P-C4' energy: -27.851
flat angles C4'-P-C4' energy: -26.459
flat angles P-C4'-P energy: -20.730
tors. eta vs tors. theta energy: -40.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -319.717317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.717317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.717317 (E_RNA)
where:
Base-Base interactions energy: -205.156
where: short stacking energy: -90.938
Base-Backbone interact. energy: -0.040
local terms energy: -114.520775
where:
bonds (distance) C4'-P energy: -28.408
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -25.048
flat angles P-C4'-P energy: -21.444
tors. eta vs tors. theta energy: -18.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -334.178065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.178065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.178065 (E_RNA)
where:
Base-Base interactions energy: -217.086
where: short stacking energy: -102.922
Base-Backbone interact. energy: 0.014
local terms energy: -117.105717
where:
bonds (distance) C4'-P energy: -27.840
bonds (distance) P-C4' energy: -25.636
flat angles C4'-P-C4' energy: -27.415
flat angles P-C4'-P energy: -16.068
tors. eta vs tors. theta energy: -20.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -150.458458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.458458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.458458 (E_RNA)
where:
Base-Base interactions energy: -50.199
where: short stacking energy: -47.491
Base-Backbone interact. energy: -0.883
local terms energy: -99.376624
where:
bonds (distance) C4'-P energy: -24.161
bonds (distance) P-C4' energy: -26.551
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -21.577
tors. eta vs tors. theta energy: -9.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -534.297174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.297174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.297174 (E_RNA)
where:
Base-Base interactions energy: -369.841
where: short stacking energy: -147.271
Base-Backbone interact. energy: -0.077
local terms energy: -164.378883
where:
bonds (distance) C4'-P energy: -31.510
bonds (distance) P-C4' energy: -27.503
flat angles C4'-P-C4' energy: -34.065
flat angles P-C4'-P energy: -26.632
tors. eta vs tors. theta energy: -44.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -528.694533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.694533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.694533 (E_RNA)
where:
Base-Base interactions energy: -369.571
where: short stacking energy: -159.157
Base-Backbone interact. energy: -0.003
local terms energy: -159.120473
where:
bonds (distance) C4'-P energy: -28.442
bonds (distance) P-C4' energy: -29.302
flat angles C4'-P-C4' energy: -33.550
flat angles P-C4'-P energy: -20.935
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: 3, replica: 8
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -520.991501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.991501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.991501 (E_RNA)
where:
Base-Base interactions energy: -362.063
where: short stacking energy: -151.761
Base-Backbone interact. energy: -0.133
local terms energy: -158.795268
where:
bonds (distance) C4'-P energy: -27.197
bonds (distance) P-C4' energy: -32.471
flat angles C4'-P-C4' energy: -31.441
flat angles P-C4'-P energy: -21.883
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: 4, replica: 6
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -498.198336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.198336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.198336 (E_RNA)
where:
Base-Base interactions energy: -357.387
where: short stacking energy: -145.506
Base-Backbone interact. energy: -0.012
local terms energy: -140.798761
where:
bonds (distance) C4'-P energy: -21.921
bonds (distance) P-C4' energy: -23.966
flat angles C4'-P-C4' energy: -30.189
flat angles P-C4'-P energy: -21.809
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: 5, replica: 4
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -492.583882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.583882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.583882 (E_RNA)
where:
Base-Base interactions energy: -341.459
where: short stacking energy: -150.873
Base-Backbone interact. energy: -0.002
local terms energy: -151.122269
where:
bonds (distance) C4'-P energy: -29.154
bonds (distance) P-C4' energy: -25.826
flat angles C4'-P-C4' energy: -32.033
flat angles P-C4'-P energy: -18.649
tors. eta vs tors. theta energy: -45.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -446.583440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.583440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.583440 (E_RNA)
where:
Base-Base interactions energy: -297.283
where: short stacking energy: -130.536
Base-Backbone interact. energy: -0.350
local terms energy: -148.950094
where:
bonds (distance) C4'-P energy: -28.673
bonds (distance) P-C4' energy: -28.417
flat angles C4'-P-C4' energy: -32.188
flat angles P-C4'-P energy: -23.697
tors. eta vs tors. theta energy: -35.975
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: 2
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -421.643095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.643095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.643095 (E_RNA)
where:
Base-Base interactions energy: -283.952
where: short stacking energy: -123.231
Base-Backbone interact. energy: 2.242
local terms energy: -139.933875
where:
bonds (distance) C4'-P energy: -27.013
bonds (distance) P-C4' energy: -24.647
flat angles C4'-P-C4' energy: -28.700
flat angles P-C4'-P energy: -22.791
tors. eta vs tors. theta energy: -36.782
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: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -333.877203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.877203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.877203 (E_RNA)
where:
Base-Base interactions energy: -220.187
where: short stacking energy: -94.105
Base-Backbone interact. energy: -0.198
local terms energy: -113.492039
where:
bonds (distance) C4'-P energy: -24.640
bonds (distance) P-C4' energy: -28.131
flat angles C4'-P-C4' energy: -23.442
flat angles P-C4'-P energy: -15.658
tors. eta vs tors. theta energy: -21.622
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: 9, replica: 10
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -298.502162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.502162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.502162 (E_RNA)
where:
Base-Base interactions energy: -202.151
where: short stacking energy: -81.811
Base-Backbone interact. energy: -0.525
local terms energy: -95.826092
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -26.516
flat angles C4'-P-C4' energy: -19.595
flat angles P-C4'-P energy: -18.460
tors. eta vs tors. theta energy: -14.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -143.361618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.361618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.361618 (E_RNA)
where:
Base-Base interactions energy: -55.254
where: short stacking energy: -52.653
Base-Backbone interact. energy: -0.877
local terms energy: -87.229954
where:
bonds (distance) C4'-P energy: -24.476
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -25.903
flat angles P-C4'-P energy: -14.669
tors. eta vs tors. theta energy: -4.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -538.441896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.441896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.441896 (E_RNA)
where:
Base-Base interactions energy: -384.694
where: short stacking energy: -160.553
Base-Backbone interact. energy: -0.317
local terms energy: -153.430575
where:
bonds (distance) C4'-P energy: -26.665
bonds (distance) P-C4' energy: -31.073
flat angles C4'-P-C4' energy: -29.290
flat angles P-C4'-P energy: -20.187
tors. eta vs tors. theta energy: -46.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -537.217441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.217441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.217441 (E_RNA)
where:
Base-Base interactions energy: -376.102
where: short stacking energy: -166.529
Base-Backbone interact. energy: -0.588
local terms energy: -160.526784
where:
bonds (distance) C4'-P energy: -30.386
bonds (distance) P-C4' energy: -27.795
flat angles C4'-P-C4' energy: -34.918
flat angles P-C4'-P energy: -18.428
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: 3, replica: 6
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -504.669395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.669395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.669395 (E_RNA)
where:
Base-Base interactions energy: -361.184
where: short stacking energy: -146.975
Base-Backbone interact. energy: -0.106
local terms energy: -143.379458
where:
bonds (distance) C4'-P energy: -30.324
bonds (distance) P-C4' energy: -24.366
flat angles C4'-P-C4' energy: -25.428
flat angles P-C4'-P energy: -21.849
tors. eta vs tors. theta energy: -41.412
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: 4, replica: 8
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -514.961815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.961815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.961815 (E_RNA)
where:
Base-Base interactions energy: -374.573
where: short stacking energy: -149.041
Base-Backbone interact. energy: -0.082
local terms energy: -140.307668
where:
bonds (distance) C4'-P energy: -24.572
bonds (distance) P-C4' energy: -24.335
flat angles C4'-P-C4' energy: -26.343
flat angles P-C4'-P energy: -21.443
tors. eta vs tors. theta energy: -43.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -500.007457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.007457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.007457 (E_RNA)
where:
Base-Base interactions energy: -356.184
where: short stacking energy: -144.301
Base-Backbone interact. energy: 0.600
local terms energy: -144.423795
where:
bonds (distance) C4'-P energy: -27.579
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -30.714
flat angles P-C4'-P energy: -23.132
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: 6, replica: 3
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -443.836500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.836500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.836500 (E_RNA)
where:
Base-Base interactions energy: -306.744
where: short stacking energy: -139.834
Base-Backbone interact. energy: -0.564
local terms energy: -136.528756
where:
bonds (distance) C4'-P energy: -22.921
bonds (distance) P-C4' energy: -31.268
flat angles C4'-P-C4' energy: -22.751
flat angles P-C4'-P energy: -19.681
tors. eta vs tors. theta energy: -39.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -421.810327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.810327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.810327 (E_RNA)
where:
Base-Base interactions energy: -285.364
where: short stacking energy: -130.923
Base-Backbone interact. energy: -0.030
local terms energy: -136.415432
where:
bonds (distance) C4'-P energy: -21.314
bonds (distance) P-C4' energy: -24.499
flat angles C4'-P-C4' energy: -30.474
flat angles P-C4'-P energy: -21.031
tors. eta vs tors. theta energy: -39.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -353.073076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.073076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.073076 (E_RNA)
where:
Base-Base interactions energy: -238.279
where: short stacking energy: -111.475
Base-Backbone interact. energy: -0.293
local terms energy: -114.501186
where:
bonds (distance) C4'-P energy: -20.719
bonds (distance) P-C4' energy: -25.960
flat angles C4'-P-C4' energy: -24.206
flat angles P-C4'-P energy: -17.329
tors. eta vs tors. theta energy: -26.286
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: 10
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -322.810615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.810615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.810615 (E_RNA)
where:
Base-Base interactions energy: -211.894
where: short stacking energy: -99.221
Base-Backbone interact. energy: 0.549
local terms energy: -111.464977
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -30.233
flat angles C4'-P-C4' energy: -22.506
flat angles P-C4'-P energy: -17.766
tors. eta vs tors. theta energy: -25.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -129.294618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.294618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.294618 (E_RNA)
where:
Base-Base interactions energy: -54.020
where: short stacking energy: -49.578
Base-Backbone interact. energy: -0.463
local terms energy: -74.811570
where:
bonds (distance) C4'-P energy: -22.502
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -4.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -548.429075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.429075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.429075 (E_RNA)
where:
Base-Base interactions energy: -381.989
where: short stacking energy: -154.955
Base-Backbone interact. energy: -1.111
local terms energy: -165.329131
where:
bonds (distance) C4'-P energy: -30.044
bonds (distance) P-C4' energy: -33.136
flat angles C4'-P-C4' energy: -31.614
flat angles P-C4'-P energy: -24.327
tors. eta vs tors. theta energy: -46.208
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: 6
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -517.289897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.289897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.289897 (E_RNA)
where:
Base-Base interactions energy: -372.967
where: short stacking energy: -158.319
Base-Backbone interact. energy: -0.201
local terms energy: -144.122078
where:
bonds (distance) C4'-P energy: -25.662
bonds (distance) P-C4' energy: -28.393
flat angles C4'-P-C4' energy: -28.282
flat angles P-C4'-P energy: -17.733
tors. eta vs tors. theta energy: -44.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -533.873087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.873087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.873087 (E_RNA)
where:
Base-Base interactions energy: -369.219
where: short stacking energy: -162.882
Base-Backbone interact. energy: -0.282
local terms energy: -164.371665
where:
bonds (distance) C4'-P energy: -30.297
bonds (distance) P-C4' energy: -28.128
flat angles C4'-P-C4' energy: -32.477
flat angles P-C4'-P energy: -23.398
tors. eta vs tors. theta energy: -50.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -503.824408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.824408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.824408 (E_RNA)
where:
Base-Base interactions energy: -359.015
where: short stacking energy: -143.147
Base-Backbone interact. energy: -0.014
local terms energy: -144.795983
where:
bonds (distance) C4'-P energy: -30.436
bonds (distance) P-C4' energy: -26.181
flat angles C4'-P-C4' energy: -30.780
flat angles P-C4'-P energy: -17.801
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: 5, replica: 8
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -494.416826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.416826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.416826 (E_RNA)
where:
Base-Base interactions energy: -347.511
where: short stacking energy: -133.299
Base-Backbone interact. energy: -0.234
local terms energy: -146.672522
where:
bonds (distance) C4'-P energy: -27.473
bonds (distance) P-C4' energy: -24.865
flat angles C4'-P-C4' energy: -27.654
flat angles P-C4'-P energy: -24.989
tors. eta vs tors. theta energy: -41.692
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: 6, replica: 3
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -451.985274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.985274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.985274 (E_RNA)
where:
Base-Base interactions energy: -315.705
where: short stacking energy: -139.395
Base-Backbone interact. energy: -0.024
local terms energy: -136.255816
where:
bonds (distance) C4'-P energy: -22.332
bonds (distance) P-C4' energy: -21.812
flat angles C4'-P-C4' energy: -28.796
flat angles P-C4'-P energy: -19.862
tors. eta vs tors. theta energy: -43.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -420.178343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.178343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.178343 (E_RNA)
where:
Base-Base interactions energy: -293.980
where: short stacking energy: -136.229
Base-Backbone interact. energy: -0.007
local terms energy: -126.191451
where:
bonds (distance) C4'-P energy: -24.513
bonds (distance) P-C4' energy: -25.448
flat angles C4'-P-C4' energy: -19.893
flat angles P-C4'-P energy: -15.905
tors. eta vs tors. theta energy: -40.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -336.683419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.683419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.683419 (E_RNA)
where:
Base-Base interactions energy: -224.651
where: short stacking energy: -99.663
Base-Backbone interact. energy: -0.883
local terms energy: -111.149475
where:
bonds (distance) C4'-P energy: -26.139
bonds (distance) P-C4' energy: -30.866
flat angles C4'-P-C4' energy: -24.428
flat angles P-C4'-P energy: -16.085
tors. eta vs tors. theta energy: -13.632
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: 391
Temperature: 1.300000
Total energy: -327.302988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.302988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.302988 (E_RNA)
where:
Base-Base interactions energy: -213.868
where: short stacking energy: -95.202
Base-Backbone interact. energy: -0.263
local terms energy: -113.171891
where:
bonds (distance) C4'-P energy: -24.688
bonds (distance) P-C4' energy: -23.557
flat angles C4'-P-C4' energy: -24.428
flat angles P-C4'-P energy: -18.008
tors. eta vs tors. theta energy: -22.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -133.016366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.016366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.016366 (E_RNA)
where:
Base-Base interactions energy: -42.461
where: short stacking energy: -34.094
Base-Backbone interact. energy: -0.038
local terms energy: -90.517399
where:
bonds (distance) C4'-P energy: -22.309
bonds (distance) P-C4' energy: -28.399
flat angles C4'-P-C4' energy: -19.456
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -6.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -527.505249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.505249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.505249 (E_RNA)
where:
Base-Base interactions energy: -369.313
where: short stacking energy: -152.716
Base-Backbone interact. energy: -0.025
local terms energy: -158.166753
where:
bonds (distance) C4'-P energy: -28.564
bonds (distance) P-C4' energy: -25.458
flat angles C4'-P-C4' energy: -31.072
flat angles P-C4'-P energy: -24.839
tors. eta vs tors. theta energy: -48.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -517.471728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.471728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.471728 (E_RNA)
where:
Base-Base interactions energy: -356.724
where: short stacking energy: -146.513
Base-Backbone interact. energy: -0.418
local terms energy: -160.329395
where:
bonds (distance) C4'-P energy: -30.284
bonds (distance) P-C4' energy: -29.099
flat angles C4'-P-C4' energy: -31.533
flat angles P-C4'-P energy: -21.127
tors. eta vs tors. theta energy: -48.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -520.082431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.082431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.082431 (E_RNA)
where:
Base-Base interactions energy: -360.507
where: short stacking energy: -156.927
Base-Backbone interact. energy: -0.167
local terms energy: -159.408234
where:
bonds (distance) C4'-P energy: -32.433
bonds (distance) P-C4' energy: -26.952
flat angles C4'-P-C4' energy: -25.469
flat angles P-C4'-P energy: -24.627
tors. eta vs tors. theta energy: -49.928
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: 4
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -495.203864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.203864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.203864 (E_RNA)
where:
Base-Base interactions energy: -339.801
where: short stacking energy: -146.100
Base-Backbone interact. energy: -1.399
local terms energy: -154.003672
where:
bonds (distance) C4'-P energy: -29.692
bonds (distance) P-C4' energy: -24.207
flat angles C4'-P-C4' energy: -30.244
flat angles P-C4'-P energy: -24.681
tors. eta vs tors. theta energy: -45.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -504.703019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.703019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.703019 (E_RNA)
where:
Base-Base interactions energy: -351.816
where: short stacking energy: -146.439
Base-Backbone interact. energy: 1.255
local terms energy: -154.141617
where:
bonds (distance) C4'-P energy: -29.788
bonds (distance) P-C4' energy: -30.804
flat angles C4'-P-C4' energy: -26.003
flat angles P-C4'-P energy: -23.496
tors. eta vs tors. theta energy: -44.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -424.915129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.915129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.915129 (E_RNA)
where:
Base-Base interactions energy: -296.033
where: short stacking energy: -123.598
Base-Backbone interact. energy: -1.549
local terms energy: -127.333770
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -25.035
flat angles C4'-P-C4' energy: -32.266
flat angles P-C4'-P energy: -17.540
tors. eta vs tors. theta energy: -34.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -426.097544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.097544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.097544 (E_RNA)
where:
Base-Base interactions energy: -285.555
where: short stacking energy: -128.621
Base-Backbone interact. energy: -0.051
local terms energy: -140.491263
where:
bonds (distance) C4'-P energy: -26.188
bonds (distance) P-C4' energy: -25.177
flat angles C4'-P-C4' energy: -28.240
flat angles P-C4'-P energy: -21.603
tors. eta vs tors. theta energy: -39.283
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: 8, replica: 10
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -338.650688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.650688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.650688 (E_RNA)
where:
Base-Base interactions energy: -223.350
where: short stacking energy: -99.000
Base-Backbone interact. energy: -0.165
local terms energy: -115.135553
where:
bonds (distance) C4'-P energy: -23.913
bonds (distance) P-C4' energy: -25.358
flat angles C4'-P-C4' energy: -26.470
flat angles P-C4'-P energy: -16.846
tors. eta vs tors. theta energy: -22.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -307.976687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.976687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.976687 (E_RNA)
where:
Base-Base interactions energy: -200.854
where: short stacking energy: -89.359
Base-Backbone interact. energy: -0.263
local terms energy: -106.859918
where:
bonds (distance) C4'-P energy: -23.929
bonds (distance) P-C4' energy: -32.424
flat angles C4'-P-C4' energy: -22.476
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -17.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -127.619168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.619168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.619168 (E_RNA)
where:
Base-Base interactions energy: -39.439
where: short stacking energy: -39.126
Base-Backbone interact. energy: 0.121
local terms energy: -88.301241
where:
bonds (distance) C4'-P energy: -19.287
bonds (distance) P-C4' energy: -30.529
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -19.153
tors. eta vs tors. theta energy: -0.384
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: 393
Temperature: 0.900000
Total energy: -536.569491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.569491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.569491 (E_RNA)
where:
Base-Base interactions energy: -373.639
where: short stacking energy: -165.515
Base-Backbone interact. energy: -0.612
local terms energy: -162.318241
where:
bonds (distance) C4'-P energy: -30.751
bonds (distance) P-C4' energy: -28.204
flat angles C4'-P-C4' energy: -31.627
flat angles P-C4'-P energy: -25.611
tors. eta vs tors. theta energy: -46.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -524.673898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.673898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.673898 (E_RNA)
where:
Base-Base interactions energy: -373.978
where: short stacking energy: -155.840
Base-Backbone interact. energy: 0.606
local terms energy: -151.302174
where:
bonds (distance) C4'-P energy: -24.073
bonds (distance) P-C4' energy: -31.453
flat angles C4'-P-C4' energy: -29.546
flat angles P-C4'-P energy: -22.041
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: 9
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -521.781289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.781289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.781289 (E_RNA)
where:
Base-Base interactions energy: -365.323
where: short stacking energy: -153.454
Base-Backbone interact. energy: -0.232
local terms energy: -156.227066
where:
bonds (distance) C4'-P energy: -28.362
bonds (distance) P-C4' energy: -24.906
flat angles C4'-P-C4' energy: -27.424
flat angles P-C4'-P energy: -27.413
tors. eta vs tors. theta energy: -48.123
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: 8
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -519.511880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.511880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.511880 (E_RNA)
where:
Base-Base interactions energy: -363.100
where: short stacking energy: -142.614
Base-Backbone interact. energy: -0.524
local terms energy: -155.887487
where:
bonds (distance) C4'-P energy: -26.304
bonds (distance) P-C4' energy: -33.709
flat angles C4'-P-C4' energy: -31.739
flat angles P-C4'-P energy: -22.883
tors. eta vs tors. theta energy: -41.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -500.047419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.047419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.047419 (E_RNA)
where:
Base-Base interactions energy: -351.403
where: short stacking energy: -146.902
Base-Backbone interact. energy: -0.018
local terms energy: -148.627043
where:
bonds (distance) C4'-P energy: -22.202
bonds (distance) P-C4' energy: -27.759
flat angles C4'-P-C4' energy: -32.312
flat angles P-C4'-P energy: -24.250
tors. eta vs tors. theta energy: -42.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -432.157474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.157474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.157474 (E_RNA)
where:
Base-Base interactions energy: -299.305
where: short stacking energy: -129.440
Base-Backbone interact. energy: -0.221
local terms energy: -132.631498
where:
bonds (distance) C4'-P energy: -22.510
bonds (distance) P-C4' energy: -26.100
flat angles C4'-P-C4' energy: -28.610
flat angles P-C4'-P energy: -21.027
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: 7, replica: 3
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -420.939157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.939157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.939157 (E_RNA)
where:
Base-Base interactions energy: -288.236
where: short stacking energy: -123.882
Base-Backbone interact. energy: -2.015
local terms energy: -130.688361
where:
bonds (distance) C4'-P energy: -24.771
bonds (distance) P-C4' energy: -26.690
flat angles C4'-P-C4' energy: -29.551
flat angles P-C4'-P energy: -15.511
tors. eta vs tors. theta energy: -34.164
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: 10
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -324.559319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.559319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.559319 (E_RNA)
where:
Base-Base interactions energy: -211.945
where: short stacking energy: -83.889
Base-Backbone interact. energy: 0.845
local terms energy: -113.459463
where:
bonds (distance) C4'-P energy: -24.201
bonds (distance) P-C4' energy: -24.434
flat angles C4'-P-C4' energy: -26.268
flat angles P-C4'-P energy: -18.001
tors. eta vs tors. theta energy: -20.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -313.803057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.803057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.803057 (E_RNA)
where:
Base-Base interactions energy: -209.986
where: short stacking energy: -92.185
Base-Backbone interact. energy: -0.166
local terms energy: -103.651379
where:
bonds (distance) C4'-P energy: -23.415
bonds (distance) P-C4' energy: -24.567
flat angles C4'-P-C4' energy: -23.154
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -21.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -124.174666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.174666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.174666 (E_RNA)
where:
Base-Base interactions energy: -48.946
where: short stacking energy: -35.763
Base-Backbone interact. energy: -0.507
local terms energy: -74.721599
where:
bonds (distance) C4'-P energy: -26.045
bonds (distance) P-C4' energy: -26.202
flat angles C4'-P-C4' energy: -20.028
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: 5.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -539.869711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.869711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.869711 (E_RNA)
where:
Base-Base interactions energy: -379.593
where: short stacking energy: -159.239
Base-Backbone interact. energy: -0.019
local terms energy: -160.257574
where:
bonds (distance) C4'-P energy: -23.629
bonds (distance) P-C4' energy: -29.119
flat angles C4'-P-C4' energy: -32.008
flat angles P-C4'-P energy: -27.403
tors. eta vs tors. theta energy: -48.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -529.608567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.608567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.608567 (E_RNA)
where:
Base-Base interactions energy: -377.159
where: short stacking energy: -155.878
Base-Backbone interact. energy: -0.013
local terms energy: -152.436809
where:
bonds (distance) C4'-P energy: -27.466
bonds (distance) P-C4' energy: -26.095
flat angles C4'-P-C4' energy: -35.292
flat angles P-C4'-P energy: -17.245
tors. eta vs tors. theta energy: -46.339
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: 9
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -525.977516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.977516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.977516 (E_RNA)
where:
Base-Base interactions energy: -373.528
where: short stacking energy: -152.437
Base-Backbone interact. energy: 1.315
local terms energy: -153.764617
where:
bonds (distance) C4'-P energy: -23.653
bonds (distance) P-C4' energy: -30.419
flat angles C4'-P-C4' energy: -31.618
flat angles P-C4'-P energy: -22.334
tors. eta vs tors. theta energy: -45.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -514.716756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.716756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.716756 (E_RNA)
where:
Base-Base interactions energy: -353.559
where: short stacking energy: -149.881
Base-Backbone interact. energy: -0.002
local terms energy: -161.156631
where:
bonds (distance) C4'-P energy: -26.697
bonds (distance) P-C4' energy: -29.142
flat angles C4'-P-C4' energy: -32.348
flat angles P-C4'-P energy: -24.395
tors. eta vs tors. theta energy: -48.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -488.294310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.294310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.294310 (E_RNA)
where:
Base-Base interactions energy: -340.676
where: short stacking energy: -148.547
Base-Backbone interact. energy: -0.648
local terms energy: -146.970585
where:
bonds (distance) C4'-P energy: -23.878
bonds (distance) P-C4' energy: -27.361
flat angles C4'-P-C4' energy: -25.697
flat angles P-C4'-P energy: -24.067
tors. eta vs tors. theta energy: -45.967
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: 2
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -425.604491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.604491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.604491 (E_RNA)
where:
Base-Base interactions energy: -296.824
where: short stacking energy: -134.724
Base-Backbone interact. energy: -0.041
local terms energy: -128.740051
where:
bonds (distance) C4'-P energy: -25.971
bonds (distance) P-C4' energy: -22.912
flat angles C4'-P-C4' energy: -26.872
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -39.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -412.373209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.373209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.373209 (E_RNA)
where:
Base-Base interactions energy: -285.729
where: short stacking energy: -120.735
Base-Backbone interact. energy: -0.568
local terms energy: -126.075456
where:
bonds (distance) C4'-P energy: -28.851
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -30.078
flat angles P-C4'-P energy: -18.296
tors. eta vs tors. theta energy: -26.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -340.622346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.622346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.622346 (E_RNA)
where:
Base-Base interactions energy: -234.186
where: short stacking energy: -106.177
Base-Backbone interact. energy: -0.926
local terms energy: -105.510282
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -24.962
flat angles C4'-P-C4' energy: -27.925
flat angles P-C4'-P energy: -17.071
tors. eta vs tors. theta energy: -19.975
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: 1
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -309.316463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.316463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.316463 (E_RNA)
where:
Base-Base interactions energy: -215.748
where: short stacking energy: -97.092
Base-Backbone interact. energy: -0.880
local terms energy: -92.688428
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -22.893
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -17.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -140.851074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.851074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.851074 (E_RNA)
where:
Base-Base interactions energy: -58.778
where: short stacking energy: -54.409
Base-Backbone interact. energy: -0.255
local terms energy: -81.818398
where:
bonds (distance) C4'-P energy: -22.516
bonds (distance) P-C4' energy: -25.254
flat angles C4'-P-C4' energy: -19.845
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -1.946
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: 395
Temperature: 0.900000
Total energy: -532.511668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.511668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.511668 (E_RNA)
where:
Base-Base interactions energy: -372.138
where: short stacking energy: -156.719
Base-Backbone interact. energy: -0.007
local terms energy: -160.366500
where:
bonds (distance) C4'-P energy: -28.218
bonds (distance) P-C4' energy: -31.316
flat angles C4'-P-C4' energy: -32.146
flat angles P-C4'-P energy: -18.615
tors. eta vs tors. theta energy: -50.071
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: 7
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -522.450659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.450659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.450659 (E_RNA)
where:
Base-Base interactions energy: -375.102
where: short stacking energy: -157.868
Base-Backbone interact. energy: -0.618
local terms energy: -146.730505
where:
bonds (distance) C4'-P energy: -24.787
bonds (distance) P-C4' energy: -27.768
flat angles C4'-P-C4' energy: -30.123
flat angles P-C4'-P energy: -20.167
tors. eta vs tors. theta energy: -43.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -514.749280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.749280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.749280 (E_RNA)
where:
Base-Base interactions energy: -358.600
where: short stacking energy: -158.979
Base-Backbone interact. energy: -0.043
local terms energy: -156.106511
where:
bonds (distance) C4'-P energy: -31.695
bonds (distance) P-C4' energy: -24.613
flat angles C4'-P-C4' energy: -30.988
flat angles P-C4'-P energy: -24.125
tors. eta vs tors. theta energy: -44.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -521.841108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.841108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.841108 (E_RNA)
where:
Base-Base interactions energy: -369.636
where: short stacking energy: -154.033
Base-Backbone interact. energy: -0.001
local terms energy: -152.204070
where:
bonds (distance) C4'-P energy: -24.472
bonds (distance) P-C4' energy: -31.614
flat angles C4'-P-C4' energy: -29.173
flat angles P-C4'-P energy: -21.205
tors. eta vs tors. theta energy: -45.739
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: 4
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -497.351114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.351114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.351114 (E_RNA)
where:
Base-Base interactions energy: -339.553
where: short stacking energy: -139.719
Base-Backbone interact. energy: -0.367
local terms energy: -157.431115
where:
bonds (distance) C4'-P energy: -26.653
bonds (distance) P-C4' energy: -31.177
flat angles C4'-P-C4' energy: -29.689
flat angles P-C4'-P energy: -21.046
tors. eta vs tors. theta energy: -48.866
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: 6, replica: 3
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -438.921016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.921016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.921016 (E_RNA)
where:
Base-Base interactions energy: -299.460
where: short stacking energy: -120.627
Base-Backbone interact. energy: -0.090
local terms energy: -139.370194
where:
bonds (distance) C4'-P energy: -23.310
bonds (distance) P-C4' energy: -29.082
flat angles C4'-P-C4' energy: -29.101
flat angles P-C4'-P energy: -16.826
tors. eta vs tors. theta energy: -41.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -403.962427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.962427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.962427 (E_RNA)
where:
Base-Base interactions energy: -275.537
where: short stacking energy: -126.069
Base-Backbone interact. energy: -0.610
local terms energy: -127.815635
where:
bonds (distance) C4'-P energy: -19.831
bonds (distance) P-C4' energy: -27.592
flat angles C4'-P-C4' energy: -24.401
flat angles P-C4'-P energy: -21.051
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: 8, replica: 10
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -342.560977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.560977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.560977 (E_RNA)
where:
Base-Base interactions energy: -229.810
where: short stacking energy: -104.601
Base-Backbone interact. energy: 0.155
local terms energy: -112.905945
where:
bonds (distance) C4'-P energy: -22.454
bonds (distance) P-C4' energy: -24.105
flat angles C4'-P-C4' energy: -25.236
flat angles P-C4'-P energy: -17.242
tors. eta vs tors. theta energy: -23.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -345.016701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.016701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.016701 (E_RNA)
where:
Base-Base interactions energy: -226.409
where: short stacking energy: -110.144
Base-Backbone interact. energy: -0.923
local terms energy: -117.685160
where:
bonds (distance) C4'-P energy: -30.524
bonds (distance) P-C4' energy: -20.453
flat angles C4'-P-C4' energy: -23.913
flat angles P-C4'-P energy: -18.981
tors. eta vs tors. theta energy: -23.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -146.627268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.627268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.627268 (E_RNA)
where:
Base-Base interactions energy: -70.199
where: short stacking energy: -44.302
Base-Backbone interact. energy: 1.723
local terms energy: -78.150875
where:
bonds (distance) C4'-P energy: -23.542
bonds (distance) P-C4' energy: -24.392
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -15.832
tors. eta vs tors. theta energy: 4.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -530.278980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.278980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.278980 (E_RNA)
where:
Base-Base interactions energy: -374.029
where: short stacking energy: -146.827
Base-Backbone interact. energy: -0.053
local terms energy: -156.197284
where:
bonds (distance) C4'-P energy: -28.978
bonds (distance) P-C4' energy: -29.388
flat angles C4'-P-C4' energy: -29.388
flat angles P-C4'-P energy: -21.326
tors. eta vs tors. theta energy: -47.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -527.432473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.432473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.432473 (E_RNA)
where:
Base-Base interactions energy: -367.092
where: short stacking energy: -153.125
Base-Backbone interact. energy: 0.127
local terms energy: -160.467616
where:
bonds (distance) C4'-P energy: -30.669
bonds (distance) P-C4' energy: -28.632
flat angles C4'-P-C4' energy: -31.610
flat angles P-C4'-P energy: -23.352
tors. eta vs tors. theta energy: -46.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -522.187470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.187470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.187470 (E_RNA)
where:
Base-Base interactions energy: -375.300
where: short stacking energy: -150.670
Base-Backbone interact. energy: 2.322
local terms energy: -149.209822
where:
bonds (distance) C4'-P energy: -28.148
bonds (distance) P-C4' energy: -25.662
flat angles C4'-P-C4' energy: -30.359
flat angles P-C4'-P energy: -20.068
tors. eta vs tors. theta energy: -44.973
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: 9
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -512.375748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.375748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.375748 (E_RNA)
where:
Base-Base interactions energy: -358.905
where: short stacking energy: -153.031
Base-Backbone interact. energy: -0.001
local terms energy: -153.469162
where:
bonds (distance) C4'-P energy: -26.089
bonds (distance) P-C4' energy: -28.549
flat angles C4'-P-C4' energy: -26.615
flat angles P-C4'-P energy: -25.265
tors. eta vs tors. theta energy: -46.952
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: 4
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -498.027957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.027957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.027957 (E_RNA)
where:
Base-Base interactions energy: -357.099
where: short stacking energy: -157.830
Base-Backbone interact. energy: -0.006
local terms energy: -140.922944
where:
bonds (distance) C4'-P energy: -24.489
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -29.622
flat angles P-C4'-P energy: -20.717
tors. eta vs tors. theta energy: -46.585
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: 3
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -439.238726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.238726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.238726 (E_RNA)
where:
Base-Base interactions energy: -296.271
where: short stacking energy: -139.239
Base-Backbone interact. energy: -0.752
local terms energy: -142.216034
where:
bonds (distance) C4'-P energy: -25.207
bonds (distance) P-C4' energy: -21.565
flat angles C4'-P-C4' energy: -33.908
flat angles P-C4'-P energy: -22.648
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: 7, replica: 2
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -403.957590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.957590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.957590 (E_RNA)
where:
Base-Base interactions energy: -273.570
where: short stacking energy: -116.823
Base-Backbone interact. energy: 0.845
local terms energy: -131.231935
where:
bonds (distance) C4'-P energy: -24.686
bonds (distance) P-C4' energy: -26.089
flat angles C4'-P-C4' energy: -29.681
flat angles P-C4'-P energy: -17.450
tors. eta vs tors. theta energy: -33.326
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: 10
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -322.114859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.114859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.114859 (E_RNA)
where:
Base-Base interactions energy: -209.492
where: short stacking energy: -91.109
Base-Backbone interact. energy: -0.214
local terms energy: -112.408174
where:
bonds (distance) C4'-P energy: -24.202
bonds (distance) P-C4' energy: -22.273
flat angles C4'-P-C4' energy: -24.403
flat angles P-C4'-P energy: -19.654
tors. eta vs tors. theta energy: -21.876
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: 1
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -324.607339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.607339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.607339 (E_RNA)
where:
Base-Base interactions energy: -216.855
where: short stacking energy: -89.120
Base-Backbone interact. energy: -0.708
local terms energy: -107.044475
where:
bonds (distance) C4'-P energy: -22.662
bonds (distance) P-C4' energy: -27.507
flat angles C4'-P-C4' energy: -24.503
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -19.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -129.985059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.985059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.985059 (E_RNA)
where:
Base-Base interactions energy: -51.455
where: short stacking energy: -45.578
Base-Backbone interact. energy: 1.786
local terms energy: -80.316384
where:
bonds (distance) C4'-P energy: -30.674
bonds (distance) P-C4' energy: -23.596
flat angles C4'-P-C4' energy: -19.476
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: 3.250
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: 6
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -538.687787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.687787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.687787 (E_RNA)
where:
Base-Base interactions energy: -387.488
where: short stacking energy: -151.096
Base-Backbone interact. energy: 0.598
local terms energy: -151.797862
where:
bonds (distance) C4'-P energy: -29.585
bonds (distance) P-C4' energy: -29.981
flat angles C4'-P-C4' energy: -30.749
flat angles P-C4'-P energy: -17.584
tors. eta vs tors. theta energy: -43.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -523.347535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.347535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.347535 (E_RNA)
where:
Base-Base interactions energy: -364.967
where: short stacking energy: -160.411
Base-Backbone interact. energy: -0.101
local terms energy: -158.279300
where:
bonds (distance) C4'-P energy: -27.604
bonds (distance) P-C4' energy: -30.835
flat angles C4'-P-C4' energy: -32.202
flat angles P-C4'-P energy: -23.898
tors. eta vs tors. theta energy: -43.741
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: 3, replica: 8
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -514.309393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.309393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.309393 (E_RNA)
where:
Base-Base interactions energy: -366.681
where: short stacking energy: -154.860
Base-Backbone interact. energy: 0.109
local terms energy: -147.737434
where:
bonds (distance) C4'-P energy: -21.171
bonds (distance) P-C4' energy: -28.263
flat angles C4'-P-C4' energy: -29.974
flat angles P-C4'-P energy: -22.040
tors. eta vs tors. theta energy: -46.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -496.165616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.165616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.165616 (E_RNA)
where:
Base-Base interactions energy: -347.820
where: short stacking energy: -152.073
Base-Backbone interact. energy: -0.040
local terms energy: -148.305726
where:
bonds (distance) C4'-P energy: -27.098
bonds (distance) P-C4' energy: -27.941
flat angles C4'-P-C4' energy: -25.968
flat angles P-C4'-P energy: -19.814
tors. eta vs tors. theta energy: -47.484
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: 5, replica: 9
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -512.651585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.651585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.651585 (E_RNA)
where:
Base-Base interactions energy: -359.548
where: short stacking energy: -156.041
Base-Backbone interact. energy: -0.084
local terms energy: -153.019339
where:
bonds (distance) C4'-P energy: -28.661
bonds (distance) P-C4' energy: -24.424
flat angles C4'-P-C4' energy: -30.506
flat angles P-C4'-P energy: -22.605
tors. eta vs tors. theta energy: -46.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -461.429719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.429719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.429719 (E_RNA)
where:
Base-Base interactions energy: -316.410
where: short stacking energy: -141.751
Base-Backbone interact. energy: -0.752
local terms energy: -144.268162
where:
bonds (distance) C4'-P energy: -23.382
bonds (distance) P-C4' energy: -29.086
flat angles C4'-P-C4' energy: -28.444
flat angles P-C4'-P energy: -19.588
tors. eta vs tors. theta energy: -43.768
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: 7, replica: 2
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -413.936710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.936710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.936710 (E_RNA)
where:
Base-Base interactions energy: -288.176
where: short stacking energy: -123.951
Base-Backbone interact. energy: -0.108
local terms energy: -125.653159
where:
bonds (distance) C4'-P energy: -19.747
bonds (distance) P-C4' energy: -29.097
flat angles C4'-P-C4' energy: -27.091
flat angles P-C4'-P energy: -18.990
tors. eta vs tors. theta energy: -30.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -362.254576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.254576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.254576 (E_RNA)
where:
Base-Base interactions energy: -254.444
where: short stacking energy: -111.483
Base-Backbone interact. energy: -0.176
local terms energy: -107.634184
where:
bonds (distance) C4'-P energy: -22.584
bonds (distance) P-C4' energy: -27.425
flat angles C4'-P-C4' energy: -22.960
flat angles P-C4'-P energy: -4.055
tors. eta vs tors. theta energy: -30.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -328.492891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.492891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.492891 (E_RNA)
where:
Base-Base interactions energy: -217.391
where: short stacking energy: -91.173
Base-Backbone interact. energy: -0.478
local terms energy: -110.624471
where:
bonds (distance) C4'-P energy: -23.852
bonds (distance) P-C4' energy: -24.644
flat angles C4'-P-C4' energy: -20.739
flat angles P-C4'-P energy: -22.237
tors. eta vs tors. theta energy: -19.153
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: 5
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -146.556568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.556568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.556568 (E_RNA)
where:
Base-Base interactions energy: -49.801
where: short stacking energy: -46.911
Base-Backbone interact. energy: -0.172
local terms energy: -96.583686
where:
bonds (distance) C4'-P energy: -30.043
bonds (distance) P-C4' energy: -23.287
flat angles C4'-P-C4' energy: -23.935
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -5.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -538.090242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.090242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.090242 (E_RNA)
where:
Base-Base interactions energy: -381.901
where: short stacking energy: -164.789
Base-Backbone interact. energy: 0.367
local terms energy: -156.555923
where:
bonds (distance) C4'-P energy: -30.610
bonds (distance) P-C4' energy: -26.145
flat angles C4'-P-C4' energy: -34.067
flat angles P-C4'-P energy: -18.481
tors. eta vs tors. theta energy: -47.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -532.102679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.102679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.102679 (E_RNA)
where:
Base-Base interactions energy: -380.408
where: short stacking energy: -155.646
Base-Backbone interact. energy: -0.034
local terms energy: -151.661148
where:
bonds (distance) C4'-P energy: -28.378
bonds (distance) P-C4' energy: -23.964
flat angles C4'-P-C4' energy: -30.032
flat angles P-C4'-P energy: -21.887
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: 3, replica: 8
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -523.797172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.797172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.797172 (E_RNA)
where:
Base-Base interactions energy: -374.973
where: short stacking energy: -153.006
Base-Backbone interact. energy: -1.101
local terms energy: -147.723263
where:
bonds (distance) C4'-P energy: -27.692
bonds (distance) P-C4' energy: -24.255
flat angles C4'-P-C4' energy: -29.602
flat angles P-C4'-P energy: -22.837
tors. eta vs tors. theta energy: -43.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -498.728168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.728168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.728168 (E_RNA)
where:
Base-Base interactions energy: -343.368
where: short stacking energy: -156.678
Base-Backbone interact. energy: -1.062
local terms energy: -154.298218
where:
bonds (distance) C4'-P energy: -24.599
bonds (distance) P-C4' energy: -28.206
flat angles C4'-P-C4' energy: -33.574
flat angles P-C4'-P energy: -17.471
tors. eta vs tors. theta energy: -50.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -502.068923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.068923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.068923 (E_RNA)
where:
Base-Base interactions energy: -357.440
where: short stacking energy: -151.582
Base-Backbone interact. energy: -0.003
local terms energy: -144.626182
where:
bonds (distance) C4'-P energy: -22.000
bonds (distance) P-C4' energy: -20.693
flat angles C4'-P-C4' energy: -29.844
flat angles P-C4'-P energy: -23.263
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: 6, replica: 3
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -456.227697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.227697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.227697 (E_RNA)
where:
Base-Base interactions energy: -311.108
where: short stacking energy: -145.016
Base-Backbone interact. energy: -0.784
local terms energy: -144.335366
where:
bonds (distance) C4'-P energy: -26.134
bonds (distance) P-C4' energy: -29.194
flat angles C4'-P-C4' energy: -31.217
flat angles P-C4'-P energy: -18.881
tors. eta vs tors. theta energy: -38.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -402.471774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.471774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.471774 (E_RNA)
where:
Base-Base interactions energy: -268.487
where: short stacking energy: -113.290
Base-Backbone interact. energy: -0.198
local terms energy: -133.786729
where:
bonds (distance) C4'-P energy: -28.140
bonds (distance) P-C4' energy: -25.692
flat angles C4'-P-C4' energy: -26.703
flat angles P-C4'-P energy: -21.289
tors. eta vs tors. theta energy: -31.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -394.139115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.139115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.139115 (E_RNA)
where:
Base-Base interactions energy: -273.385
where: short stacking energy: -115.748
Base-Backbone interact. energy: -1.039
local terms energy: -119.715813
where:
bonds (distance) C4'-P energy: -23.851
bonds (distance) P-C4' energy: -23.631
flat angles C4'-P-C4' energy: -26.146
flat angles P-C4'-P energy: -18.013
tors. eta vs tors. theta energy: -28.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -323.788989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.788989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.788989 (E_RNA)
where:
Base-Base interactions energy: -219.907
where: short stacking energy: -86.932
Base-Backbone interact. energy: -0.194
local terms energy: -103.688071
where:
bonds (distance) C4'-P energy: -22.114
bonds (distance) P-C4' energy: -29.065
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -16.795
tors. eta vs tors. theta energy: -18.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -129.564441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.564441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.564441 (E_RNA)
where:
Base-Base interactions energy: -50.153
where: short stacking energy: -39.325
Base-Backbone interact. energy: -0.300
local terms energy: -79.111058
where:
bonds (distance) C4'-P energy: -20.364
bonds (distance) P-C4' energy: -29.857
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -13.177
tors. eta vs tors. theta energy: 2.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -534.867751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.867751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.867751 (E_RNA)
where:
Base-Base interactions energy: -375.594
where: short stacking energy: -156.077
Base-Backbone interact. energy: -0.181
local terms energy: -159.093056
where:
bonds (distance) C4'-P energy: -28.714
bonds (distance) P-C4' energy: -27.776
flat angles C4'-P-C4' energy: -30.980
flat angles P-C4'-P energy: -27.351
tors. eta vs tors. theta energy: -44.273
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: 399
Temperature: 0.950000
Total energy: -532.774483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.774483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.774483 (E_RNA)
where:
Base-Base interactions energy: -368.454
where: short stacking energy: -158.729
Base-Backbone interact. energy: 1.049
local terms energy: -165.369581
where:
bonds (distance) C4'-P energy: -30.813
bonds (distance) P-C4' energy: -31.646
flat angles C4'-P-C4' energy: -31.184
flat angles P-C4'-P energy: -23.824
tors. eta vs tors. theta energy: -47.902
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: 399
Temperature: 1.000000
Total energy: -535.881891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.881891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.881891 (E_RNA)
where:
Base-Base interactions energy: -383.623
where: short stacking energy: -140.180
Base-Backbone interact. energy: -0.687
local terms energy: -151.572761
where:
bonds (distance) C4'-P energy: -20.283
bonds (distance) P-C4' energy: -30.411
flat angles C4'-P-C4' energy: -34.631
flat angles P-C4'-P energy: -24.646
tors. eta vs tors. theta energy: -41.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -512.612839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.612839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.612839 (E_RNA)
where:
Base-Base interactions energy: -368.630
where: short stacking energy: -146.429
Base-Backbone interact. energy: -0.809
local terms energy: -143.173497
where:
bonds (distance) C4'-P energy: -27.667
bonds (distance) P-C4' energy: -25.041
flat angles C4'-P-C4' energy: -27.849
flat angles P-C4'-P energy: -22.331
tors. eta vs tors. theta energy: -40.285
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: 4
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -488.815006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.815006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.815006 (E_RNA)
where:
Base-Base interactions energy: -338.438
where: short stacking energy: -160.050
Base-Backbone interact. energy: -0.321
local terms energy: -150.055985
where:
bonds (distance) C4'-P energy: -26.675
bonds (distance) P-C4' energy: -25.483
flat angles C4'-P-C4' energy: -28.150
flat angles P-C4'-P energy: -19.947
tors. eta vs tors. theta energy: -49.801
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: 3
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -442.225994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.225994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.225994 (E_RNA)
where:
Base-Base interactions energy: -299.181
where: short stacking energy: -131.088
Base-Backbone interact. energy: -1.620
local terms energy: -141.425007
where:
bonds (distance) C4'-P energy: -27.658
bonds (distance) P-C4' energy: -33.373
flat angles C4'-P-C4' energy: -29.150
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -38.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -415.299033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.299033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.299033 (E_RNA)
where:
Base-Base interactions energy: -292.447
where: short stacking energy: -127.044
Base-Backbone interact. energy: 0.629
local terms energy: -123.481566
where:
bonds (distance) C4'-P energy: -24.865
bonds (distance) P-C4' energy: -26.052
flat angles C4'-P-C4' energy: -25.571
flat angles P-C4'-P energy: -11.588
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: 8, replica: 10
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -390.546525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.546525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.546525 (E_RNA)
where:
Base-Base interactions energy: -271.594
where: short stacking energy: -111.801
Base-Backbone interact. energy: -0.773
local terms energy: -118.179303
where:
bonds (distance) C4'-P energy: -22.379
bonds (distance) P-C4' energy: -23.294
flat angles C4'-P-C4' energy: -26.197
flat angles P-C4'-P energy: -14.175
tors. eta vs tors. theta energy: -32.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -378.018827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.018827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.018827 (E_RNA)
where:
Base-Base interactions energy: -256.600
where: short stacking energy: -112.460
Base-Backbone interact. energy: -0.478
local terms energy: -120.940474
where:
bonds (distance) C4'-P energy: -24.886
bonds (distance) P-C4' energy: -20.718
flat angles C4'-P-C4' energy: -27.248
flat angles P-C4'-P energy: -16.600
tors. eta vs tors. theta energy: -31.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -125.891243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.891243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.891243 (E_RNA)
where:
Base-Base interactions energy: -44.732
where: short stacking energy: -42.799
Base-Backbone interact. energy: -0.991
local terms energy: -80.168005
where:
bonds (distance) C4'-P energy: -23.492
bonds (distance) P-C4' energy: -27.208
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: 1.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -539.475817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.475817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.475817 (E_RNA)
where:
Base-Base interactions energy: -390.023
where: short stacking energy: -155.498
Base-Backbone interact. energy: -0.015
local terms energy: -149.437524
where:
bonds (distance) C4'-P energy: -26.128
bonds (distance) P-C4' energy: -29.466
flat angles C4'-P-C4' energy: -29.996
flat angles P-C4'-P energy: -19.775
tors. eta vs tors. theta energy: -44.073
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: 2, replica: 6
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -530.834029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.834029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.834029 (E_RNA)
where:
Base-Base interactions energy: -378.691
where: short stacking energy: -163.169
Base-Backbone interact. energy: 0.363
local terms energy: -152.506394
where:
bonds (distance) C4'-P energy: -25.220
bonds (distance) P-C4' energy: -29.478
flat angles C4'-P-C4' energy: -29.643
flat angles P-C4'-P energy: -23.668
tors. eta vs tors. theta energy: -44.497
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: 9
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -519.264011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.264011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.264011 (E_RNA)
where:
Base-Base interactions energy: -380.716
where: short stacking energy: -146.116
Base-Backbone interact. energy: -0.143
local terms energy: -138.405485
where:
bonds (distance) C4'-P energy: -27.335
bonds (distance) P-C4' energy: -25.715
flat angles C4'-P-C4' energy: -29.508
flat angles P-C4'-P energy: -18.914
tors. eta vs tors. theta energy: -36.934
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: 8
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -519.576176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.576176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.576176 (E_RNA)
where:
Base-Base interactions energy: -360.974
where: short stacking energy: -153.824
Base-Backbone interact. energy: -0.601
local terms energy: -158.001394
where:
bonds (distance) C4'-P energy: -26.736
bonds (distance) P-C4' energy: -30.868
flat angles C4'-P-C4' energy: -31.979
flat angles P-C4'-P energy: -22.941
tors. eta vs tors. theta energy: -45.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -486.541510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.541510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.541510 (E_RNA)
where:
Base-Base interactions energy: -343.580
where: short stacking energy: -143.378
Base-Backbone interact. energy: 0.831
local terms energy: -143.792936
where:
bonds (distance) C4'-P energy: -22.778
bonds (distance) P-C4' energy: -28.926
flat angles C4'-P-C4' energy: -26.798
flat angles P-C4'-P energy: -21.406
tors. eta vs tors. theta energy: -43.884
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: 3
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -464.087208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.087208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.087208 (E_RNA)
where:
Base-Base interactions energy: -317.658
where: short stacking energy: -139.010
Base-Backbone interact. energy: -0.246
local terms energy: -146.183669
where:
bonds (distance) C4'-P energy: -30.028
bonds (distance) P-C4' energy: -22.173
flat angles C4'-P-C4' energy: -32.066
flat angles P-C4'-P energy: -20.025
tors. eta vs tors. theta energy: -41.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -428.849881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.849881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.849881 (E_RNA)
where:
Base-Base interactions energy: -302.283
where: short stacking energy: -134.097
Base-Backbone interact. energy: -1.619
local terms energy: -124.948226
where:
bonds (distance) C4'-P energy: -29.796
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -25.940
flat angles P-C4'-P energy: -19.695
tors. eta vs tors. theta energy: -32.915
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: 8, replica: 2
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -437.163063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.163063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.163063 (E_RNA)
where:
Base-Base interactions energy: -293.490
where: short stacking energy: -127.659
Base-Backbone interact. energy: -0.413
local terms energy: -143.259400
where:
bonds (distance) C4'-P energy: -25.039
bonds (distance) P-C4' energy: -30.745
flat angles C4'-P-C4' energy: -26.252
flat angles P-C4'-P energy: -21.178
tors. eta vs tors. theta energy: -40.045
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: 1
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -353.609582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.609582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.609582 (E_RNA)
where:
Base-Base interactions energy: -246.180
where: short stacking energy: -97.795
Base-Backbone interact. energy: -0.265
local terms energy: -107.164974
where:
bonds (distance) C4'-P energy: -25.906
bonds (distance) P-C4' energy: -24.755
flat angles C4'-P-C4' energy: -23.067
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -22.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -144.537858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.537858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.537858 (E_RNA)
where:
Base-Base interactions energy: -53.832
where: short stacking energy: -53.046
Base-Backbone interact. energy: -0.918
local terms energy: -89.787190
where:
bonds (distance) C4'-P energy: -22.948
bonds (distance) P-C4' energy: -27.539
flat angles C4'-P-C4' energy: -28.585
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: 2.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -523.139847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.139847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.139847 (E_RNA)
where:
Base-Base interactions energy: -376.680
where: short stacking energy: -150.340
Base-Backbone interact. energy: -0.141
local terms energy: -146.318469
where:
bonds (distance) C4'-P energy: -28.100
bonds (distance) P-C4' energy: -28.818
flat angles C4'-P-C4' energy: -33.095
flat angles P-C4'-P energy: -17.645
tors. eta vs tors. theta energy: -38.661
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: 6
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -525.536502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.536502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.536502 (E_RNA)
where:
Base-Base interactions energy: -357.199
where: short stacking energy: -151.968
Base-Backbone interact. energy: -0.414
local terms energy: -167.923328
where:
bonds (distance) C4'-P energy: -32.614
bonds (distance) P-C4' energy: -30.069
flat angles C4'-P-C4' energy: -33.200
flat angles P-C4'-P energy: -23.236
tors. eta vs tors. theta energy: -48.804
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: 3, replica: 9
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -518.326221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.326221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.326221 (E_RNA)
where:
Base-Base interactions energy: -373.492
where: short stacking energy: -146.522
Base-Backbone interact. energy: -2.875
local terms energy: -141.959077
where:
bonds (distance) C4'-P energy: -19.436
bonds (distance) P-C4' energy: -32.072
flat angles C4'-P-C4' energy: -25.956
flat angles P-C4'-P energy: -20.880
tors. eta vs tors. theta energy: -43.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -485.254618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.254618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.254618 (E_RNA)
where:
Base-Base interactions energy: -339.363
where: short stacking energy: -142.503
Base-Backbone interact. energy: -0.334
local terms energy: -145.557670
where:
bonds (distance) C4'-P energy: -22.048
bonds (distance) P-C4' energy: -25.848
flat angles C4'-P-C4' energy: -29.053
flat angles P-C4'-P energy: -24.328
tors. eta vs tors. theta energy: -44.281
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: 8
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -513.908066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.908066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.908066 (E_RNA)
where:
Base-Base interactions energy: -366.071
where: short stacking energy: -149.380
Base-Backbone interact. energy: -0.748
local terms energy: -147.089315
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -29.014
flat angles C4'-P-C4' energy: -35.109
flat angles P-C4'-P energy: -17.980
tors. eta vs tors. theta energy: -47.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -437.966518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.966518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.966518 (E_RNA)
where:
Base-Base interactions energy: -296.498
where: short stacking energy: -122.080
Base-Backbone interact. energy: -0.681
local terms energy: -140.787863
where:
bonds (distance) C4'-P energy: -28.134
bonds (distance) P-C4' energy: -23.671
flat angles C4'-P-C4' energy: -32.812
flat angles P-C4'-P energy: -20.092
tors. eta vs tors. theta energy: -36.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -439.665714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.665714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.665714 (E_RNA)
where:
Base-Base interactions energy: -300.601
where: short stacking energy: -124.383
Base-Backbone interact. energy: -0.860
local terms energy: -138.204962
where:
bonds (distance) C4'-P energy: -22.192
bonds (distance) P-C4' energy: -28.258
flat angles C4'-P-C4' energy: -32.412
flat angles P-C4'-P energy: -21.979
tors. eta vs tors. theta energy: -33.364
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: 8, replica: 2
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -409.096270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.096270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.096270 (E_RNA)
where:
Base-Base interactions energy: -284.005
where: short stacking energy: -123.434
Base-Backbone interact. energy: -0.366
local terms energy: -124.725209
where:
bonds (distance) C4'-P energy: -22.908
bonds (distance) P-C4' energy: -20.002
flat angles C4'-P-C4' energy: -30.634
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -39.424
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: 1
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -357.143742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.143742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.143742 (E_RNA)
where:
Base-Base interactions energy: -242.267
where: short stacking energy: -102.851
Base-Backbone interact. energy: -0.350
local terms energy: -114.526734
where:
bonds (distance) C4'-P energy: -18.489
bonds (distance) P-C4' energy: -23.844
flat angles C4'-P-C4' energy: -24.496
flat angles P-C4'-P energy: -21.256
tors. eta vs tors. theta energy: -26.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -171.497913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.497913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.497913 (E_RNA)
where:
Base-Base interactions energy: -77.432
where: short stacking energy: -37.405
Base-Backbone interact. energy: -1.377
local terms energy: -92.688412
where:
bonds (distance) C4'-P energy: -25.022
bonds (distance) P-C4' energy: -23.302
flat angles C4'-P-C4' energy: -28.262
flat angles P-C4'-P energy: -15.679
tors. eta vs tors. theta energy: -0.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -535.372665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.372665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.372665 (E_RNA)
where:
Base-Base interactions energy: -384.048
where: short stacking energy: -151.239
Base-Backbone interact. energy: -0.105
local terms energy: -151.220351
where:
bonds (distance) C4'-P energy: -30.574
bonds (distance) P-C4' energy: -28.748
flat angles C4'-P-C4' energy: -32.413
flat angles P-C4'-P energy: -22.048
tors. eta vs tors. theta energy: -37.437
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: 402
Temperature: 0.950000
Total energy: -531.231261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.231261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.231261 (E_RNA)
where:
Base-Base interactions energy: -372.883
where: short stacking energy: -160.508
Base-Backbone interact. energy: -0.005
local terms energy: -158.343777
where:
bonds (distance) C4'-P energy: -22.230
bonds (distance) P-C4' energy: -31.493
flat angles C4'-P-C4' energy: -31.908
flat angles P-C4'-P energy: -24.834
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: 3, replica: 4
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -500.322971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.322971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.322971 (E_RNA)
where:
Base-Base interactions energy: -361.381
where: short stacking energy: -144.843
Base-Backbone interact. energy: 0.351
local terms energy: -139.293394
where:
bonds (distance) C4'-P energy: -22.331
bonds (distance) P-C4' energy: -29.176
flat angles C4'-P-C4' energy: -27.999
flat angles P-C4'-P energy: -15.038
tors. eta vs tors. theta energy: -44.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -509.781711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.781711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.781711 (E_RNA)
where:
Base-Base interactions energy: -363.262
where: short stacking energy: -150.957
Base-Backbone interact. energy: 0.733
local terms energy: -147.252526
where:
bonds (distance) C4'-P energy: -19.721
bonds (distance) P-C4' energy: -27.192
flat angles C4'-P-C4' energy: -32.435
flat angles P-C4'-P energy: -22.362
tors. eta vs tors. theta energy: -45.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -493.892684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.892684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.892684 (E_RNA)
where:
Base-Base interactions energy: -353.925
where: short stacking energy: -146.031
Base-Backbone interact. energy: -0.642
local terms energy: -139.325647
where:
bonds (distance) C4'-P energy: -21.933
bonds (distance) P-C4' energy: -22.981
flat angles C4'-P-C4' energy: -31.001
flat angles P-C4'-P energy: -18.772
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: 6, replica: 3
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -441.317840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.317840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.317840 (E_RNA)
where:
Base-Base interactions energy: -308.802
where: short stacking energy: -142.856
Base-Backbone interact. energy: -0.424
local terms energy: -132.091440
where:
bonds (distance) C4'-P energy: -19.732
bonds (distance) P-C4' energy: -21.305
flat angles C4'-P-C4' energy: -27.491
flat angles P-C4'-P energy: -23.439
tors. eta vs tors. theta energy: -40.125
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: 10
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -433.559445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.559445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.559445 (E_RNA)
where:
Base-Base interactions energy: -314.147
where: short stacking energy: -130.584
Base-Backbone interact. energy: -1.155
local terms energy: -118.257712
where:
bonds (distance) C4'-P energy: -20.901
bonds (distance) P-C4' energy: -24.380
flat angles C4'-P-C4' energy: -23.518
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -35.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -402.219575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.219575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.219575 (E_RNA)
where:
Base-Base interactions energy: -286.617
where: short stacking energy: -122.663
Base-Backbone interact. energy: -0.899
local terms energy: -114.702921
where:
bonds (distance) C4'-P energy: -26.794
bonds (distance) P-C4' energy: -18.778
flat angles C4'-P-C4' energy: -24.533
flat angles P-C4'-P energy: -14.790
tors. eta vs tors. theta energy: -29.807
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: 9, replica: 1
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -290.213791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.213791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.213791 (E_RNA)
where:
Base-Base interactions energy: -196.830
where: short stacking energy: -89.041
Base-Backbone interact. energy: 0.348
local terms energy: -93.732007
where:
bonds (distance) C4'-P energy: -25.923
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -20.811
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -16.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -153.033167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.033167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.033167 (E_RNA)
where:
Base-Base interactions energy: -69.863
where: short stacking energy: -41.353
Base-Backbone interact. energy: -0.482
local terms energy: -82.688923
where:
bonds (distance) C4'-P energy: -27.087
bonds (distance) P-C4' energy: -28.900
flat angles C4'-P-C4' energy: -20.371
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: 1.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -526.246867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.246867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.246867 (E_RNA)
where:
Base-Base interactions energy: -383.999
where: short stacking energy: -143.894
Base-Backbone interact. energy: -0.190
local terms energy: -142.057172
where:
bonds (distance) C4'-P energy: -31.166
bonds (distance) P-C4' energy: -26.549
flat angles C4'-P-C4' energy: -26.908
flat angles P-C4'-P energy: -21.025
tors. eta vs tors. theta energy: -36.409
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: 2, replica: 6
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -527.337669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.337669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.337669 (E_RNA)
where:
Base-Base interactions energy: -378.298
where: short stacking energy: -152.470
Base-Backbone interact. energy: -0.631
local terms energy: -148.408139
where:
bonds (distance) C4'-P energy: -21.479
bonds (distance) P-C4' energy: -27.218
flat angles C4'-P-C4' energy: -31.705
flat angles P-C4'-P energy: -21.870
tors. eta vs tors. theta energy: -46.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -526.330800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.330800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.330800 (E_RNA)
where:
Base-Base interactions energy: -369.778
where: short stacking energy: -154.327
Base-Backbone interact. energy: -0.006
local terms energy: -156.547028
where:
bonds (distance) C4'-P energy: -30.823
bonds (distance) P-C4' energy: -25.840
flat angles C4'-P-C4' energy: -31.769
flat angles P-C4'-P energy: -19.421
tors. eta vs tors. theta energy: -48.694
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: 9
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -515.299720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.299720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.299720 (E_RNA)
where:
Base-Base interactions energy: -361.677
where: short stacking energy: -153.621
Base-Backbone interact. energy: -0.010
local terms energy: -153.613097
where:
bonds (distance) C4'-P energy: -25.018
bonds (distance) P-C4' energy: -25.761
flat angles C4'-P-C4' energy: -32.216
flat angles P-C4'-P energy: -21.990
tors. eta vs tors. theta energy: -48.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -494.554073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.554073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.554073 (E_RNA)
where:
Base-Base interactions energy: -355.933
where: short stacking energy: -141.588
Base-Backbone interact. energy: -0.806
local terms energy: -137.815769
where:
bonds (distance) C4'-P energy: -27.082
bonds (distance) P-C4' energy: -24.437
flat angles C4'-P-C4' energy: -28.119
flat angles P-C4'-P energy: -17.913
tors. eta vs tors. theta energy: -40.265
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: 3
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -430.381410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.381410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.381410 (E_RNA)
where:
Base-Base interactions energy: -301.264
where: short stacking energy: -131.732
Base-Backbone interact. energy: -0.801
local terms energy: -128.316900
where:
bonds (distance) C4'-P energy: -21.279
bonds (distance) P-C4' energy: -24.328
flat angles C4'-P-C4' energy: -31.009
flat angles P-C4'-P energy: -16.048
tors. eta vs tors. theta energy: -35.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -428.526271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.526271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.526271 (E_RNA)
where:
Base-Base interactions energy: -295.793
where: short stacking energy: -125.722
Base-Backbone interact. energy: 0.035
local terms energy: -132.768019
where:
bonds (distance) C4'-P energy: -24.251
bonds (distance) P-C4' energy: -27.542
flat angles C4'-P-C4' energy: -26.452
flat angles P-C4'-P energy: -18.349
tors. eta vs tors. theta energy: -36.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -430.673422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.673422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.673422 (E_RNA)
where:
Base-Base interactions energy: -300.025
where: short stacking energy: -141.880
Base-Backbone interact. energy: -0.737
local terms energy: -129.911364
where:
bonds (distance) C4'-P energy: -19.365
bonds (distance) P-C4' energy: -16.882
flat angles C4'-P-C4' energy: -27.169
flat angles P-C4'-P energy: -20.016
tors. eta vs tors. theta energy: -46.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -306.203524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.203524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.203524 (E_RNA)
where:
Base-Base interactions energy: -195.184
where: short stacking energy: -77.280
Base-Backbone interact. energy: -0.075
local terms energy: -110.945135
where:
bonds (distance) C4'-P energy: -20.856
bonds (distance) P-C4' energy: -29.749
flat angles C4'-P-C4' energy: -25.928
flat angles P-C4'-P energy: -17.162
tors. eta vs tors. theta energy: -17.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -156.198096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.198096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.198096 (E_RNA)
where:
Base-Base interactions energy: -82.032
where: short stacking energy: -47.170
Base-Backbone interact. energy: -0.488
local terms energy: -73.677909
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -18.381
flat angles C4'-P-C4' energy: -22.996
flat angles P-C4'-P energy: -17.972
tors. eta vs tors. theta energy: 4.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -528.576798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.576798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.576798 (E_RNA)
where:
Base-Base interactions energy: -375.040
where: short stacking energy: -147.808
Base-Backbone interact. energy: -0.548
local terms energy: -152.989501
where:
bonds (distance) C4'-P energy: -29.913
bonds (distance) P-C4' energy: -29.145
flat angles C4'-P-C4' energy: -31.252
flat angles P-C4'-P energy: -24.477
tors. eta vs tors. theta energy: -38.203
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: 6
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -516.418887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.418887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.418887 (E_RNA)
where:
Base-Base interactions energy: -359.709
where: short stacking energy: -148.593
Base-Backbone interact. energy: -0.129
local terms energy: -156.580986
where:
bonds (distance) C4'-P energy: -26.585
bonds (distance) P-C4' energy: -24.623
flat angles C4'-P-C4' energy: -30.357
flat angles P-C4'-P energy: -25.973
tors. eta vs tors. theta energy: -49.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -518.717941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.717941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.717941 (E_RNA)
where:
Base-Base interactions energy: -368.588
where: short stacking energy: -153.618
Base-Backbone interact. energy: -0.790
local terms energy: -149.340748
where:
bonds (distance) C4'-P energy: -30.124
bonds (distance) P-C4' energy: -20.562
flat angles C4'-P-C4' energy: -31.803
flat angles P-C4'-P energy: -19.862
tors. eta vs tors. theta energy: -46.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -508.785867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.785867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.785867 (E_RNA)
where:
Base-Base interactions energy: -352.611
where: short stacking energy: -149.012
Base-Backbone interact. energy: -0.254
local terms energy: -155.920846
where:
bonds (distance) C4'-P energy: -28.272
bonds (distance) P-C4' energy: -29.840
flat angles C4'-P-C4' energy: -32.981
flat angles P-C4'-P energy: -18.451
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: 5, replica: 8
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -488.059985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.059985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.059985 (E_RNA)
where:
Base-Base interactions energy: -352.676
where: short stacking energy: -145.816
Base-Backbone interact. energy: -0.374
local terms energy: -135.010003
where:
bonds (distance) C4'-P energy: -24.025
bonds (distance) P-C4' energy: -19.940
flat angles C4'-P-C4' energy: -30.458
flat angles P-C4'-P energy: -19.005
tors. eta vs tors. theta energy: -41.582
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: 404
Temperature: 1.150000
Total energy: -455.042128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.042128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.042128 (E_RNA)
where:
Base-Base interactions energy: -319.703
where: short stacking energy: -135.831
Base-Backbone interact. energy: -0.042
local terms energy: -135.296460
where:
bonds (distance) C4'-P energy: -28.424
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -29.890
flat angles P-C4'-P energy: -17.461
tors. eta vs tors. theta energy: -39.589
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: 2
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -433.126267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.126267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.126267 (E_RNA)
where:
Base-Base interactions energy: -299.618
where: short stacking energy: -123.374
Base-Backbone interact. energy: -0.330
local terms energy: -133.178523
where:
bonds (distance) C4'-P energy: -19.862
bonds (distance) P-C4' energy: -29.425
flat angles C4'-P-C4' energy: -27.948
flat angles P-C4'-P energy: -17.215
tors. eta vs tors. theta energy: -38.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -425.578933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.578933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.578933 (E_RNA)
where:
Base-Base interactions energy: -292.450
where: short stacking energy: -131.624
Base-Backbone interact. energy: -0.092
local terms energy: -133.036656
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -20.219
flat angles C4'-P-C4' energy: -28.918
flat angles P-C4'-P energy: -22.489
tors. eta vs tors. theta energy: -41.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -298.916751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.916751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.916751 (E_RNA)
where:
Base-Base interactions energy: -198.964
where: short stacking energy: -78.707
Base-Backbone interact. energy: 0.773
local terms energy: -100.726161
where:
bonds (distance) C4'-P energy: -22.566
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -24.818
flat angles P-C4'-P energy: -20.100
tors. eta vs tors. theta energy: -15.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -139.616317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.616317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.616317 (E_RNA)
where:
Base-Base interactions energy: -59.807
where: short stacking energy: -51.189
Base-Backbone interact. energy: -0.431
local terms energy: -79.377923
where:
bonds (distance) C4'-P energy: -10.899
bonds (distance) P-C4' energy: -25.267
flat angles C4'-P-C4' energy: -21.455
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -6.915
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: 1, replica: 7
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -526.019650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.019650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.019650 (E_RNA)
where:
Base-Base interactions energy: -377.095
where: short stacking energy: -143.881
Base-Backbone interact. energy: -0.093
local terms energy: -148.831851
where:
bonds (distance) C4'-P energy: -23.439
bonds (distance) P-C4' energy: -33.140
flat angles C4'-P-C4' energy: -30.961
flat angles P-C4'-P energy: -23.059
tors. eta vs tors. theta energy: -38.233
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: 405
Temperature: 0.950000
Total energy: -518.603418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.603418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.603418 (E_RNA)
where:
Base-Base interactions energy: -362.212
where: short stacking energy: -154.952
Base-Backbone interact. energy: -0.280
local terms energy: -156.111131
where:
bonds (distance) C4'-P energy: -32.412
bonds (distance) P-C4' energy: -26.736
flat angles C4'-P-C4' energy: -29.442
flat angles P-C4'-P energy: -19.874
tors. eta vs tors. theta energy: -47.646
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: 6
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -510.882779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.882779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.882779 (E_RNA)
where:
Base-Base interactions energy: -358.869
where: short stacking energy: -148.266
Base-Backbone interact. energy: -0.252
local terms energy: -151.761781
where:
bonds (distance) C4'-P energy: -33.039
bonds (distance) P-C4' energy: -34.373
flat angles C4'-P-C4' energy: -31.720
flat angles P-C4'-P energy: -15.849
tors. eta vs tors. theta energy: -36.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -506.198644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.198644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.198644 (E_RNA)
where:
Base-Base interactions energy: -358.016
where: short stacking energy: -151.260
Base-Backbone interact. energy: -0.505
local terms energy: -147.676984
where:
bonds (distance) C4'-P energy: -21.678
bonds (distance) P-C4' energy: -21.721
flat angles C4'-P-C4' energy: -30.515
flat angles P-C4'-P energy: -26.468
tors. eta vs tors. theta energy: -47.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -491.717297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.717297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.717297 (E_RNA)
where:
Base-Base interactions energy: -351.103
where: short stacking energy: -145.618
Base-Backbone interact. energy: -0.224
local terms energy: -140.391077
where:
bonds (distance) C4'-P energy: -25.544
bonds (distance) P-C4' energy: -29.696
flat angles C4'-P-C4' energy: -32.110
flat angles P-C4'-P energy: -16.685
tors. eta vs tors. theta energy: -36.355
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: 6, replica: 3
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -432.787733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.787733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.787733 (E_RNA)
where:
Base-Base interactions energy: -295.039
where: short stacking energy: -127.103
Base-Backbone interact. energy: -0.426
local terms energy: -137.322347
where:
bonds (distance) C4'-P energy: -25.904
bonds (distance) P-C4' energy: -26.487
flat angles C4'-P-C4' energy: -27.122
flat angles P-C4'-P energy: -19.924
tors. eta vs tors. theta energy: -37.885
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: 2
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -433.563478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.563478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.563478 (E_RNA)
where:
Base-Base interactions energy: -296.238
where: short stacking energy: -142.454
Base-Backbone interact. energy: -1.037
local terms energy: -136.288345
where:
bonds (distance) C4'-P energy: -19.458
bonds (distance) P-C4' energy: -26.992
flat angles C4'-P-C4' energy: -27.811
flat angles P-C4'-P energy: -19.673
tors. eta vs tors. theta energy: -42.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -400.320366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.320366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.320366 (E_RNA)
where:
Base-Base interactions energy: -282.453
where: short stacking energy: -117.485
Base-Backbone interact. energy: -0.170
local terms energy: -117.697329
where:
bonds (distance) C4'-P energy: -18.280
bonds (distance) P-C4' energy: -24.032
flat angles C4'-P-C4' energy: -25.270
flat angles P-C4'-P energy: -20.186
tors. eta vs tors. theta energy: -29.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -309.029661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.029661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.029661 (E_RNA)
where:
Base-Base interactions energy: -205.534
where: short stacking energy: -89.789
Base-Backbone interact. energy: -0.059
local terms energy: -103.436851
where:
bonds (distance) C4'-P energy: -24.543
bonds (distance) P-C4' energy: -26.044
flat angles C4'-P-C4' energy: -23.413
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -21.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -124.973084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.973084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.973084 (E_RNA)
where:
Base-Base interactions energy: -50.174
where: short stacking energy: -40.036
Base-Backbone interact. energy: -0.355
local terms energy: -74.443686
where:
bonds (distance) C4'-P energy: -25.044
bonds (distance) P-C4' energy: -25.663
flat angles C4'-P-C4' energy: -23.785
flat angles P-C4'-P energy: -2.136
tors. eta vs tors. theta energy: 2.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -531.106008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.106008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.106008 (E_RNA)
where:
Base-Base interactions energy: -377.696
where: short stacking energy: -142.644
Base-Backbone interact. energy: -0.051
local terms energy: -153.358236
where:
bonds (distance) C4'-P energy: -28.342
bonds (distance) P-C4' energy: -32.093
flat angles C4'-P-C4' energy: -32.569
flat angles P-C4'-P energy: -22.511
tors. eta vs tors. theta energy: -37.843
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: 4
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -514.471882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.471882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.471882 (E_RNA)
where:
Base-Base interactions energy: -356.191
where: short stacking energy: -147.057
Base-Backbone interact. energy: -1.445
local terms energy: -156.835882
where:
bonds (distance) C4'-P energy: -27.919
bonds (distance) P-C4' energy: -33.478
flat angles C4'-P-C4' energy: -27.541
flat angles P-C4'-P energy: -21.477
tors. eta vs tors. theta energy: -46.421
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: 6
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -511.969266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.969266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.969266 (E_RNA)
where:
Base-Base interactions energy: -364.316
where: short stacking energy: -146.521
Base-Backbone interact. energy: -0.673
local terms energy: -146.980280
where:
bonds (distance) C4'-P energy: -23.138
bonds (distance) P-C4' energy: -28.737
flat angles C4'-P-C4' energy: -29.148
flat angles P-C4'-P energy: -24.187
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: 4, replica: 9
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -515.793969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.793969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.793969 (E_RNA)
where:
Base-Base interactions energy: -362.769
where: short stacking energy: -151.722
Base-Backbone interact. energy: -0.073
local terms energy: -152.952177
where:
bonds (distance) C4'-P energy: -21.457
bonds (distance) P-C4' energy: -26.512
flat angles C4'-P-C4' energy: -33.076
flat angles P-C4'-P energy: -23.633
tors. eta vs tors. theta energy: -48.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -500.566864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.566864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.566864 (E_RNA)
where:
Base-Base interactions energy: -364.159
where: short stacking energy: -145.973
Base-Backbone interact. energy: -0.448
local terms energy: -135.960219
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -24.086
flat angles C4'-P-C4' energy: -32.423
flat angles P-C4'-P energy: -21.576
tors. eta vs tors. theta energy: -42.004
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: 6, replica: 3
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -440.782874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.782874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.782874 (E_RNA)
where:
Base-Base interactions energy: -299.728
where: short stacking energy: -129.007
Base-Backbone interact. energy: -1.010
local terms energy: -140.044783
where:
bonds (distance) C4'-P energy: -23.859
bonds (distance) P-C4' energy: -28.413
flat angles C4'-P-C4' energy: -31.160
flat angles P-C4'-P energy: -18.275
tors. eta vs tors. theta energy: -38.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -430.016044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.016044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.016044 (E_RNA)
where:
Base-Base interactions energy: -290.467
where: short stacking energy: -137.597
Base-Backbone interact. energy: -0.078
local terms energy: -139.470395
where:
bonds (distance) C4'-P energy: -27.832
bonds (distance) P-C4' energy: -19.605
flat angles C4'-P-C4' energy: -28.122
flat angles P-C4'-P energy: -21.378
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: 8, replica: 10
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -403.044788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.044788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.044788 (E_RNA)
where:
Base-Base interactions energy: -279.743
where: short stacking energy: -118.452
Base-Backbone interact. energy: -0.984
local terms energy: -122.317634
where:
bonds (distance) C4'-P energy: -18.184
bonds (distance) P-C4' energy: -23.220
flat angles C4'-P-C4' energy: -26.455
flat angles P-C4'-P energy: -24.748
tors. eta vs tors. theta energy: -29.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -293.214637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.214637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.214637 (E_RNA)
where:
Base-Base interactions energy: -191.769
where: short stacking energy: -78.441
Base-Backbone interact. energy: -1.397
local terms energy: -100.048429
where:
bonds (distance) C4'-P energy: -24.893
bonds (distance) P-C4' energy: -27.894
flat angles C4'-P-C4' energy: -24.513
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -13.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -131.497008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.497008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.497008 (E_RNA)
where:
Base-Base interactions energy: -61.633
where: short stacking energy: -39.134
Base-Backbone interact. energy: -0.268
local terms energy: -69.595723
where:
bonds (distance) C4'-P energy: -23.501
bonds (distance) P-C4' energy: -16.634
flat angles C4'-P-C4' energy: -25.881
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: 10.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -525.249967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.249967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.249967 (E_RNA)
where:
Base-Base interactions energy: -367.586
where: short stacking energy: -142.541
Base-Backbone interact. energy: -0.954
local terms energy: -156.709418
where:
bonds (distance) C4'-P energy: -32.112
bonds (distance) P-C4' energy: -29.892
flat angles C4'-P-C4' energy: -29.415
flat angles P-C4'-P energy: -27.732
tors. eta vs tors. theta energy: -37.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -530.941795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.941795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.941795 (E_RNA)
where:
Base-Base interactions energy: -379.753
where: short stacking energy: -157.470
Base-Backbone interact. energy: -0.072
local terms energy: -151.116093
where:
bonds (distance) C4'-P energy: -21.340
bonds (distance) P-C4' energy: -32.499
flat angles C4'-P-C4' energy: -29.361
flat angles P-C4'-P energy: -24.708
tors. eta vs tors. theta energy: -43.207
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: 3, replica: 4
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -518.396636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.396636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.396636 (E_RNA)
where:
Base-Base interactions energy: -369.286
where: short stacking energy: -150.915
Base-Backbone interact. energy: 1.013
local terms energy: -150.123375
where:
bonds (distance) C4'-P energy: -27.404
bonds (distance) P-C4' energy: -21.679
flat angles C4'-P-C4' energy: -34.852
flat angles P-C4'-P energy: -19.861
tors. eta vs tors. theta energy: -46.327
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: 4, replica: 8
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -508.429113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.429113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.429113 (E_RNA)
where:
Base-Base interactions energy: -364.979
where: short stacking energy: -150.407
Base-Backbone interact. energy: -0.034
local terms energy: -143.417070
where:
bonds (distance) C4'-P energy: -25.213
bonds (distance) P-C4' energy: -26.887
flat angles C4'-P-C4' energy: -28.032
flat angles P-C4'-P energy: -20.168
tors. eta vs tors. theta energy: -43.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -495.920347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.920347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.920347 (E_RNA)
where:
Base-Base interactions energy: -341.590
where: short stacking energy: -140.839
Base-Backbone interact. energy: -0.487
local terms energy: -153.842810
where:
bonds (distance) C4'-P energy: -30.856
bonds (distance) P-C4' energy: -28.308
flat angles C4'-P-C4' energy: -28.029
flat angles P-C4'-P energy: -22.243
tors. eta vs tors. theta energy: -44.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -421.530187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.530187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.530187 (E_RNA)
where:
Base-Base interactions energy: -284.516
where: short stacking energy: -128.239
Base-Backbone interact. energy: -1.047
local terms energy: -135.966855
where:
bonds (distance) C4'-P energy: -22.242
bonds (distance) P-C4' energy: -29.624
flat angles C4'-P-C4' energy: -32.634
flat angles P-C4'-P energy: -15.880
tors. eta vs tors. theta energy: -35.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -417.445040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.445040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.445040 (E_RNA)
where:
Base-Base interactions energy: -295.723
where: short stacking energy: -122.093
Base-Backbone interact. energy: -0.566
local terms energy: -121.156614
where:
bonds (distance) C4'-P energy: -25.580
bonds (distance) P-C4' energy: -28.003
flat angles C4'-P-C4' energy: -19.878
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -34.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -415.553080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.553080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.553080 (E_RNA)
where:
Base-Base interactions energy: -281.188
where: short stacking energy: -123.269
Base-Backbone interact. energy: -0.049
local terms energy: -134.315923
where:
bonds (distance) C4'-P energy: -21.403
bonds (distance) P-C4' energy: -29.168
flat angles C4'-P-C4' energy: -26.626
flat angles P-C4'-P energy: -19.017
tors. eta vs tors. theta energy: -38.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -310.262388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.262388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.262388 (E_RNA)
where:
Base-Base interactions energy: -207.804
where: short stacking energy: -92.037
Base-Backbone interact. energy: 2.660
local terms energy: -105.117787
where:
bonds (distance) C4'-P energy: -19.747
bonds (distance) P-C4' energy: -29.791
flat angles C4'-P-C4' energy: -24.314
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -18.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -156.847293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.847293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.847293 (E_RNA)
where:
Base-Base interactions energy: -76.105
where: short stacking energy: -43.060
Base-Backbone interact. energy: -0.559
local terms energy: -80.182609
where:
bonds (distance) C4'-P energy: -23.025
bonds (distance) P-C4' energy: -25.208
flat angles C4'-P-C4' energy: -22.883
flat angles P-C4'-P energy: -14.164
tors. eta vs tors. theta energy: 5.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -541.593399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.593399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.593399 (E_RNA)
where:
Base-Base interactions energy: -375.360
where: short stacking energy: -156.700
Base-Backbone interact. energy: -0.077
local terms energy: -166.156310
where:
bonds (distance) C4'-P energy: -30.239
bonds (distance) P-C4' energy: -28.790
flat angles C4'-P-C4' energy: -35.158
flat angles P-C4'-P energy: -24.511
tors. eta vs tors. theta energy: -47.458
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: 7
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -522.429705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.429705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.429705 (E_RNA)
where:
Base-Base interactions energy: -383.214
where: short stacking energy: -141.146
Base-Backbone interact. energy: 1.854
local terms energy: -141.069679
where:
bonds (distance) C4'-P energy: -24.048
bonds (distance) P-C4' energy: -25.636
flat angles C4'-P-C4' energy: -32.251
flat angles P-C4'-P energy: -23.454
tors. eta vs tors. theta energy: -35.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -528.559462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.559462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.559462 (E_RNA)
where:
Base-Base interactions energy: -370.250
where: short stacking energy: -159.670
Base-Backbone interact. energy: -0.030
local terms energy: -158.279322
where:
bonds (distance) C4'-P energy: -31.658
bonds (distance) P-C4' energy: -28.129
flat angles C4'-P-C4' energy: -29.741
flat angles P-C4'-P energy: -23.709
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: 4, replica: 4
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -514.211792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.211792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.211792 (E_RNA)
where:
Base-Base interactions energy: -363.349
where: short stacking energy: -150.818
Base-Backbone interact. energy: -0.086
local terms energy: -150.776663
where:
bonds (distance) C4'-P energy: -24.682
bonds (distance) P-C4' energy: -23.121
flat angles C4'-P-C4' energy: -31.835
flat angles P-C4'-P energy: -25.860
tors. eta vs tors. theta energy: -45.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -455.151138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.151138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.151138 (E_RNA)
where:
Base-Base interactions energy: -309.457
where: short stacking energy: -135.524
Base-Backbone interact. energy: -0.287
local terms energy: -145.406913
where:
bonds (distance) C4'-P energy: -25.650
bonds (distance) P-C4' energy: -26.810
flat angles C4'-P-C4' energy: -29.778
flat angles P-C4'-P energy: -25.058
tors. eta vs tors. theta energy: -38.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -490.215469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.215469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.215469 (E_RNA)
where:
Base-Base interactions energy: -343.252
where: short stacking energy: -136.541
Base-Backbone interact. energy: -0.270
local terms energy: -146.693227
where:
bonds (distance) C4'-P energy: -26.882
bonds (distance) P-C4' energy: -24.266
flat angles C4'-P-C4' energy: -26.247
flat angles P-C4'-P energy: -22.705
tors. eta vs tors. theta energy: -46.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -431.251563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.251563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.251563 (E_RNA)
where:
Base-Base interactions energy: -293.278
where: short stacking energy: -132.672
Base-Backbone interact. energy: -0.013
local terms energy: -137.960995
where:
bonds (distance) C4'-P energy: -21.197
bonds (distance) P-C4' energy: -30.159
flat angles C4'-P-C4' energy: -22.149
flat angles P-C4'-P energy: -20.599
tors. eta vs tors. theta energy: -43.857
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: 408
Temperature: 1.250000
Total energy: -394.667149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.667149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.667149 (E_RNA)
where:
Base-Base interactions energy: -292.290
where: short stacking energy: -111.291
Base-Backbone interact. energy: -0.599
local terms energy: -101.778464
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -21.551
flat angles C4'-P-C4' energy: -28.443
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -26.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -320.310215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.310215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.310215 (E_RNA)
where:
Base-Base interactions energy: -228.603
where: short stacking energy: -85.655
Base-Backbone interact. energy: -0.161
local terms energy: -91.546132
where:
bonds (distance) C4'-P energy: -24.804
bonds (distance) P-C4' energy: -22.035
flat angles C4'-P-C4' energy: -24.077
flat angles P-C4'-P energy: -5.494
tors. eta vs tors. theta energy: -15.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -139.912845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.912845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.912845 (E_RNA)
where:
Base-Base interactions energy: -54.974
where: short stacking energy: -37.008
Base-Backbone interact. energy: -0.748
local terms energy: -84.191355
where:
bonds (distance) C4'-P energy: -24.710
bonds (distance) P-C4' energy: -25.381
flat angles C4'-P-C4' energy: -25.768
flat angles P-C4'-P energy: -18.702
tors. eta vs tors. theta energy: 10.369
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: 409
Temperature: 0.900000
Total energy: -538.689051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.689051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.689051 (E_RNA)
where:
Base-Base interactions energy: -378.328
where: short stacking energy: -155.071
Base-Backbone interact. energy: -0.181
local terms energy: -160.179707
where:
bonds (distance) C4'-P energy: -27.521
bonds (distance) P-C4' energy: -30.482
flat angles C4'-P-C4' energy: -35.323
flat angles P-C4'-P energy: -20.226
tors. eta vs tors. theta energy: -46.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -526.511199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.511199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.511199 (E_RNA)
where:
Base-Base interactions energy: -365.082
where: short stacking energy: -151.590
Base-Backbone interact. energy: -0.631
local terms energy: -160.798298
where:
bonds (distance) C4'-P energy: -28.101
bonds (distance) P-C4' energy: -33.473
flat angles C4'-P-C4' energy: -32.088
flat angles P-C4'-P energy: -18.658
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: 3, replica: 7
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -523.183935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.183935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.183935 (E_RNA)
where:
Base-Base interactions energy: -375.549
where: short stacking energy: -151.686
Base-Backbone interact. energy: -0.833
local terms energy: -146.802682
where:
bonds (distance) C4'-P energy: -28.562
bonds (distance) P-C4' energy: -24.115
flat angles C4'-P-C4' energy: -32.984
flat angles P-C4'-P energy: -18.474
tors. eta vs tors. theta energy: -42.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -514.446110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.446110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.446110 (E_RNA)
where:
Base-Base interactions energy: -362.594
where: short stacking energy: -148.102
Base-Backbone interact. energy: -0.203
local terms energy: -151.648720
where:
bonds (distance) C4'-P energy: -22.661
bonds (distance) P-C4' energy: -27.757
flat angles C4'-P-C4' energy: -29.815
flat angles P-C4'-P energy: -25.893
tors. eta vs tors. theta energy: -45.522
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: 2
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -452.887490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.887490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.887490 (E_RNA)
where:
Base-Base interactions energy: -307.406
where: short stacking energy: -131.380
Base-Backbone interact. energy: -0.006
local terms energy: -145.475051
where:
bonds (distance) C4'-P energy: -26.391
bonds (distance) P-C4' energy: -27.524
flat angles C4'-P-C4' energy: -31.461
flat angles P-C4'-P energy: -16.793
tors. eta vs tors. theta energy: -43.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -488.537805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.537805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.537805 (E_RNA)
where:
Base-Base interactions energy: -352.399
where: short stacking energy: -143.271
Base-Backbone interact. energy: -0.985
local terms energy: -135.154303
where:
bonds (distance) C4'-P energy: -23.668
bonds (distance) P-C4' energy: -30.421
flat angles C4'-P-C4' energy: -27.808
flat angles P-C4'-P energy: -16.755
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: 7, replica: 3
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -428.605349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.605349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.605349 (E_RNA)
where:
Base-Base interactions energy: -295.972
where: short stacking energy: -132.934
Base-Backbone interact. energy: -0.407
local terms energy: -132.225832
where:
bonds (distance) C4'-P energy: -22.091
bonds (distance) P-C4' energy: -26.854
flat angles C4'-P-C4' energy: -30.415
flat angles P-C4'-P energy: -17.676
tors. eta vs tors. theta energy: -35.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -410.371134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.371134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.371134 (E_RNA)
where:
Base-Base interactions energy: -295.389
where: short stacking energy: -116.761
Base-Backbone interact. energy: -0.458
local terms energy: -114.524416
where:
bonds (distance) C4'-P energy: -17.693
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -28.777
flat angles P-C4'-P energy: -18.158
tors. eta vs tors. theta energy: -34.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -299.084546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.084546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.084546 (E_RNA)
where:
Base-Base interactions energy: -211.034
where: short stacking energy: -86.385
Base-Backbone interact. energy: 1.033
local terms energy: -89.083948
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -27.126
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -19.954
tors. eta vs tors. theta energy: -10.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -136.249140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.249140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.249140 (E_RNA)
where:
Base-Base interactions energy: -39.082
where: short stacking energy: -39.064
Base-Backbone interact. energy: -0.365
local terms energy: -96.801860
where:
bonds (distance) C4'-P energy: -25.340
bonds (distance) P-C4' energy: -27.660
flat angles C4'-P-C4' energy: -25.062
flat angles P-C4'-P energy: -16.680
tors. eta vs tors. theta energy: -2.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -530.409338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.409338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.409338 (E_RNA)
where:
Base-Base interactions energy: -367.824
where: short stacking energy: -151.657
Base-Backbone interact. energy: 1.039
local terms energy: -163.624106
where:
bonds (distance) C4'-P energy: -32.046
bonds (distance) P-C4' energy: -27.025
flat angles C4'-P-C4' energy: -33.097
flat angles P-C4'-P energy: -25.083
tors. eta vs tors. theta energy: -46.374
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: 8
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -529.364634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.364634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.364634 (E_RNA)
where:
Base-Base interactions energy: -371.792
where: short stacking energy: -149.953
Base-Backbone interact. energy: 0.872
local terms energy: -158.443807
where:
bonds (distance) C4'-P energy: -31.177
bonds (distance) P-C4' energy: -33.361
flat angles C4'-P-C4' energy: -27.414
flat angles P-C4'-P energy: -22.459
tors. eta vs tors. theta energy: -44.033
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: 7
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -520.576479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.576479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.576479 (E_RNA)
where:
Base-Base interactions energy: -372.184
where: short stacking energy: -152.161
Base-Backbone interact. energy: -0.342
local terms energy: -148.050106
where:
bonds (distance) C4'-P energy: -21.296
bonds (distance) P-C4' energy: -25.233
flat angles C4'-P-C4' energy: -31.731
flat angles P-C4'-P energy: -26.362
tors. eta vs tors. theta energy: -43.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -502.060713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.060713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.060713 (E_RNA)
where:
Base-Base interactions energy: -357.942
where: short stacking energy: -149.203
Base-Backbone interact. energy: -0.001
local terms energy: -144.117662
where:
bonds (distance) C4'-P energy: -27.297
bonds (distance) P-C4' energy: -28.194
flat angles C4'-P-C4' energy: -29.448
flat angles P-C4'-P energy: -17.497
tors. eta vs tors. theta energy: -41.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -491.008560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.008560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.008560 (E_RNA)
where:
Base-Base interactions energy: -350.057
where: short stacking energy: -144.551
Base-Backbone interact. energy: -0.736
local terms energy: -140.215640
where:
bonds (distance) C4'-P energy: -26.005
bonds (distance) P-C4' energy: -25.044
flat angles C4'-P-C4' energy: -27.522
flat angles P-C4'-P energy: -19.563
tors. eta vs tors. theta energy: -42.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -438.181772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.181772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.181772 (E_RNA)
where:
Base-Base interactions energy: -300.727
where: short stacking energy: -129.694
Base-Backbone interact. energy: -0.318
local terms energy: -137.136989
where:
bonds (distance) C4'-P energy: -26.031
bonds (distance) P-C4' energy: -23.332
flat angles C4'-P-C4' energy: -30.614
flat angles P-C4'-P energy: -22.572
tors. eta vs tors. theta energy: -34.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -438.017599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.017599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.017599 (E_RNA)
where:
Base-Base interactions energy: -304.819
where: short stacking energy: -120.719
Base-Backbone interact. energy: -0.602
local terms energy: -132.595634
where:
bonds (distance) C4'-P energy: -26.934
bonds (distance) P-C4' energy: -23.761
flat angles C4'-P-C4' energy: -26.537
flat angles P-C4'-P energy: -19.127
tors. eta vs tors. theta energy: -36.237
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: 10
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -420.465647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.465647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.465647 (E_RNA)
where:
Base-Base interactions energy: -295.605
where: short stacking energy: -122.382
Base-Backbone interact. energy: 0.344
local terms energy: -125.204852
where:
bonds (distance) C4'-P energy: -30.826
bonds (distance) P-C4' energy: -21.924
flat angles C4'-P-C4' energy: -22.387
flat angles P-C4'-P energy: -14.630
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: 9, replica: 1
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -269.520379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.520379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.520379 (E_RNA)
where:
Base-Base interactions energy: -182.900
where: short stacking energy: -87.121
Base-Backbone interact. energy: 2.003
local terms energy: -88.623203
where:
bonds (distance) C4'-P energy: -23.137
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -21.728
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -13.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -139.327292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.327292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.327292 (E_RNA)
where:
Base-Base interactions energy: -54.680
where: short stacking energy: -31.694
Base-Backbone interact. energy: 3.533
local terms energy: -88.180846
where:
bonds (distance) C4'-P energy: -23.296
bonds (distance) P-C4' energy: -28.626
flat angles C4'-P-C4' energy: -25.232
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -1.367
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: 411
Temperature: 0.900000
Total energy: -539.700118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.700118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.700118 (E_RNA)
where:
Base-Base interactions energy: -375.196
where: short stacking energy: -165.796
Base-Backbone interact. energy: -0.004
local terms energy: -164.500705
where:
bonds (distance) C4'-P energy: -27.705
bonds (distance) P-C4' energy: -34.868
flat angles C4'-P-C4' energy: -30.798
flat angles P-C4'-P energy: -22.249
tors. eta vs tors. theta energy: -48.880
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: 2, replica: 8
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -530.874770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.874770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.874770 (E_RNA)
where:
Base-Base interactions energy: -376.427
where: short stacking energy: -158.414
Base-Backbone interact. energy: -0.214
local terms energy: -154.234426
where:
bonds (distance) C4'-P energy: -24.217
bonds (distance) P-C4' energy: -28.570
flat angles C4'-P-C4' energy: -31.732
flat angles P-C4'-P energy: -23.137
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: 7
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -521.065415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.065415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.065415 (E_RNA)
where:
Base-Base interactions energy: -373.937
where: short stacking energy: -144.937
Base-Backbone interact. energy: -0.109
local terms energy: -147.019429
where:
bonds (distance) C4'-P energy: -22.997
bonds (distance) P-C4' energy: -25.853
flat angles C4'-P-C4' energy: -29.585
flat angles P-C4'-P energy: -25.327
tors. eta vs tors. theta energy: -43.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -506.452854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.452854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.452854 (E_RNA)
where:
Base-Base interactions energy: -351.574
where: short stacking energy: -148.530
Base-Backbone interact. energy: 0.636
local terms energy: -155.514802
where:
bonds (distance) C4'-P energy: -32.212
bonds (distance) P-C4' energy: -23.143
flat angles C4'-P-C4' energy: -32.935
flat angles P-C4'-P energy: -20.232
tors. eta vs tors. theta energy: -46.993
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: 5, replica: 4
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -487.055503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.055503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.055503 (E_RNA)
where:
Base-Base interactions energy: -337.978
where: short stacking energy: -145.220
Base-Backbone interact. energy: 1.343
local terms energy: -150.420156
where:
bonds (distance) C4'-P energy: -27.154
bonds (distance) P-C4' energy: -26.454
flat angles C4'-P-C4' energy: -32.565
flat angles P-C4'-P energy: -17.061
tors. eta vs tors. theta energy: -47.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -440.003043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.003043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.003043 (E_RNA)
where:
Base-Base interactions energy: -307.120
where: short stacking energy: -143.721
Base-Backbone interact. energy: -0.266
local terms energy: -132.617293
where:
bonds (distance) C4'-P energy: -17.715
bonds (distance) P-C4' energy: -27.056
flat angles C4'-P-C4' energy: -27.988
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: -45.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -429.649493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.649493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.649493 (E_RNA)
where:
Base-Base interactions energy: -285.265
where: short stacking energy: -127.216
Base-Backbone interact. energy: -0.576
local terms energy: -143.808639
where:
bonds (distance) C4'-P energy: -28.871
bonds (distance) P-C4' energy: -29.457
flat angles C4'-P-C4' energy: -30.179
flat angles P-C4'-P energy: -15.483
tors. eta vs tors. theta energy: -39.818
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: 10
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -419.741358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.741358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.741358 (E_RNA)
where:
Base-Base interactions energy: -302.818
where: short stacking energy: -126.303
Base-Backbone interact. energy: -0.013
local terms energy: -116.910251
where:
bonds (distance) C4'-P energy: -10.834
bonds (distance) P-C4' energy: -24.503
flat angles C4'-P-C4' energy: -32.503
flat angles P-C4'-P energy: -19.017
tors. eta vs tors. theta energy: -30.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -280.924058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.924058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.924058 (E_RNA)
where:
Base-Base interactions energy: -184.625
where: short stacking energy: -84.557
Base-Backbone interact. energy: 3.128
local terms energy: -99.427332
where:
bonds (distance) C4'-P energy: -28.775
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -20.408
flat angles P-C4'-P energy: -15.479
tors. eta vs tors. theta energy: -17.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -125.668667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.668667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.668667 (E_RNA)
where:
Base-Base interactions energy: -39.070
where: short stacking energy: -39.085
Base-Backbone interact. energy: 0.584
local terms energy: -87.183305
where:
bonds (distance) C4'-P energy: -23.792
bonds (distance) P-C4' energy: -25.099
flat angles C4'-P-C4' energy: -20.096
flat angles P-C4'-P energy: -19.654
tors. eta vs tors. theta energy: 1.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -542.646030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.646030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.646030 (E_RNA)
where:
Base-Base interactions energy: -374.871
where: short stacking energy: -155.807
Base-Backbone interact. energy: -3.429
local terms energy: -164.345939
where:
bonds (distance) C4'-P energy: -26.747
bonds (distance) P-C4' energy: -31.513
flat angles C4'-P-C4' energy: -32.713
flat angles P-C4'-P energy: -25.105
tors. eta vs tors. theta energy: -48.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -528.078183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.078183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.078183 (E_RNA)
where:
Base-Base interactions energy: -373.273
where: short stacking energy: -152.012
Base-Backbone interact. energy: -0.496
local terms energy: -154.309566
where:
bonds (distance) C4'-P energy: -28.065
bonds (distance) P-C4' energy: -29.681
flat angles C4'-P-C4' energy: -30.473
flat angles P-C4'-P energy: -24.157
tors. eta vs tors. theta energy: -41.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -517.017726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.017726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.017726 (E_RNA)
where:
Base-Base interactions energy: -377.545
where: short stacking energy: -142.232
Base-Backbone interact. energy: -0.095
local terms energy: -139.378321
where:
bonds (distance) C4'-P energy: -22.984
bonds (distance) P-C4' energy: -26.259
flat angles C4'-P-C4' energy: -28.085
flat angles P-C4'-P energy: -24.247
tors. eta vs tors. theta energy: -37.804
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: 4, replica: 9
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -502.315571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.315571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.315571 (E_RNA)
where:
Base-Base interactions energy: -356.964
where: short stacking energy: -144.510
Base-Backbone interact. energy: -0.006
local terms energy: -145.345334
where:
bonds (distance) C4'-P energy: -19.279
bonds (distance) P-C4' energy: -33.150
flat angles C4'-P-C4' energy: -29.691
flat angles P-C4'-P energy: -20.584
tors. eta vs tors. theta energy: -42.640
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: 4
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -492.264082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.264082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.264082 (E_RNA)
where:
Base-Base interactions energy: -342.265
where: short stacking energy: -149.808
Base-Backbone interact. energy: -0.036
local terms energy: -149.962845
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -28.741
flat angles C4'-P-C4' energy: -30.974
flat angles P-C4'-P energy: -22.620
tors. eta vs tors. theta energy: -49.480
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: 2
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -447.241115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.241115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.241115 (E_RNA)
where:
Base-Base interactions energy: -291.705
where: short stacking energy: -134.957
Base-Backbone interact. energy: -0.311
local terms energy: -155.224442
where:
bonds (distance) C4'-P energy: -25.941
bonds (distance) P-C4' energy: -29.921
flat angles C4'-P-C4' energy: -32.861
flat angles P-C4'-P energy: -24.603
tors. eta vs tors. theta energy: -41.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -402.791133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.791133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.791133 (E_RNA)
where:
Base-Base interactions energy: -266.481
where: short stacking energy: -104.636
Base-Backbone interact. energy: -0.673
local terms energy: -135.637133
where:
bonds (distance) C4'-P energy: -28.267
bonds (distance) P-C4' energy: -26.317
flat angles C4'-P-C4' energy: -31.738
flat angles P-C4'-P energy: -18.064
tors. eta vs tors. theta energy: -31.251
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: 8, replica: 3
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -404.959748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.959748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.959748 (E_RNA)
where:
Base-Base interactions energy: -262.765
where: short stacking energy: -121.069
Base-Backbone interact. energy: -0.589
local terms energy: -141.605035
where:
bonds (distance) C4'-P energy: -27.903
bonds (distance) P-C4' energy: -27.209
flat angles C4'-P-C4' energy: -28.779
flat angles P-C4'-P energy: -19.156
tors. eta vs tors. theta energy: -38.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -294.982619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.982619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.982619 (E_RNA)
where:
Base-Base interactions energy: -185.571
where: short stacking energy: -76.729
Base-Backbone interact. energy: -1.138
local terms energy: -108.273124
where:
bonds (distance) C4'-P energy: -26.044
bonds (distance) P-C4' energy: -23.390
flat angles C4'-P-C4' energy: -26.652
flat angles P-C4'-P energy: -18.506
tors. eta vs tors. theta energy: -13.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -130.955436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.955436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.955436 (E_RNA)
where:
Base-Base interactions energy: -44.432
where: short stacking energy: -38.156
Base-Backbone interact. energy: 0.735
local terms energy: -87.258053
where:
bonds (distance) C4'-P energy: -27.077
bonds (distance) P-C4' energy: -20.622
flat angles C4'-P-C4' energy: -22.628
flat angles P-C4'-P energy: -17.655
tors. eta vs tors. theta energy: 0.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -533.813959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.813959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.813959 (E_RNA)
where:
Base-Base interactions energy: -377.403
where: short stacking energy: -151.326
Base-Backbone interact. energy: -0.014
local terms energy: -156.396204
where:
bonds (distance) C4'-P energy: -30.793
bonds (distance) P-C4' energy: -25.703
flat angles C4'-P-C4' energy: -33.679
flat angles P-C4'-P energy: -23.278
tors. eta vs tors. theta energy: -42.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -520.759191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.759191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.759191 (E_RNA)
where:
Base-Base interactions energy: -377.775
where: short stacking energy: -149.048
Base-Backbone interact. energy: -0.982
local terms energy: -142.002263
where:
bonds (distance) C4'-P energy: -24.321
bonds (distance) P-C4' energy: -22.346
flat angles C4'-P-C4' energy: -32.158
flat angles P-C4'-P energy: -24.712
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: 3, replica: 8
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -517.542512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.542512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.542512 (E_RNA)
where:
Base-Base interactions energy: -366.271
where: short stacking energy: -154.765
Base-Backbone interact. energy: -1.188
local terms energy: -150.084253
where:
bonds (distance) C4'-P energy: -26.496
bonds (distance) P-C4' energy: -28.781
flat angles C4'-P-C4' energy: -31.080
flat angles P-C4'-P energy: -17.831
tors. eta vs tors. theta energy: -45.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -505.811909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.811909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.811909 (E_RNA)
where:
Base-Base interactions energy: -354.371
where: short stacking energy: -151.372
Base-Backbone interact. energy: -0.006
local terms energy: -151.435316
where:
bonds (distance) C4'-P energy: -26.268
bonds (distance) P-C4' energy: -26.871
flat angles C4'-P-C4' energy: -31.204
flat angles P-C4'-P energy: -19.860
tors. eta vs tors. theta energy: -47.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -503.465168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.465168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.465168 (E_RNA)
where:
Base-Base interactions energy: -363.666
where: short stacking energy: -140.815
Base-Backbone interact. energy: -0.843
local terms energy: -138.956980
where:
bonds (distance) C4'-P energy: -20.848
bonds (distance) P-C4' energy: -26.689
flat angles C4'-P-C4' energy: -28.574
flat angles P-C4'-P energy: -22.506
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: 6, replica: 2
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -439.571806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.571806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.571806 (E_RNA)
where:
Base-Base interactions energy: -294.541
where: short stacking energy: -129.843
Base-Backbone interact. energy: -0.732
local terms energy: -144.299280
where:
bonds (distance) C4'-P energy: -30.366
bonds (distance) P-C4' energy: -27.940
flat angles C4'-P-C4' energy: -31.570
flat angles P-C4'-P energy: -16.585
tors. eta vs tors. theta energy: -37.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -404.750913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.750913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.750913 (E_RNA)
where:
Base-Base interactions energy: -271.337
where: short stacking energy: -112.684
Base-Backbone interact. energy: -1.217
local terms energy: -132.197079
where:
bonds (distance) C4'-P energy: -23.725
bonds (distance) P-C4' energy: -27.320
flat angles C4'-P-C4' energy: -30.572
flat angles P-C4'-P energy: -23.403
tors. eta vs tors. theta energy: -27.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -411.097983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.097983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.097983 (E_RNA)
where:
Base-Base interactions energy: -280.810
where: short stacking energy: -122.324
Base-Backbone interact. energy: -0.720
local terms energy: -129.568389
where:
bonds (distance) C4'-P energy: -20.464
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -27.607
flat angles P-C4'-P energy: -17.467
tors. eta vs tors. theta energy: -39.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -298.219033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.219033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.219033 (E_RNA)
where:
Base-Base interactions energy: -187.843
where: short stacking energy: -93.523
Base-Backbone interact. energy: -0.070
local terms energy: -110.305699
where:
bonds (distance) C4'-P energy: -22.430
bonds (distance) P-C4' energy: -25.293
flat angles C4'-P-C4' energy: -25.823
flat angles P-C4'-P energy: -15.479
tors. eta vs tors. theta energy: -21.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -169.408198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.408198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.408198 (E_RNA)
where:
Base-Base interactions energy: -72.392
where: short stacking energy: -65.914
Base-Backbone interact. energy: 0.146
local terms energy: -97.162584
where:
bonds (distance) C4'-P energy: -25.681
bonds (distance) P-C4' energy: -28.619
flat angles C4'-P-C4' energy: -21.185
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -9.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -532.786416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.786416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.786416 (E_RNA)
where:
Base-Base interactions energy: -375.669
where: short stacking energy: -164.054
Base-Backbone interact. energy: -0.510
local terms energy: -156.607789
where:
bonds (distance) C4'-P energy: -28.078
bonds (distance) P-C4' energy: -25.347
flat angles C4'-P-C4' energy: -35.257
flat angles P-C4'-P energy: -22.797
tors. eta vs tors. theta energy: -45.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -518.760991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.760991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.760991 (E_RNA)
where:
Base-Base interactions energy: -382.145
where: short stacking energy: -146.498
Base-Backbone interact. energy: -0.122
local terms energy: -136.494643
where:
bonds (distance) C4'-P energy: -20.447
bonds (distance) P-C4' energy: -29.588
flat angles C4'-P-C4' energy: -28.804
flat angles P-C4'-P energy: -20.624
tors. eta vs tors. theta energy: -37.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -506.526167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.526167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.526167 (E_RNA)
where:
Base-Base interactions energy: -358.336
where: short stacking energy: -150.304
Base-Backbone interact. energy: -0.788
local terms energy: -147.402232
where:
bonds (distance) C4'-P energy: -21.556
bonds (distance) P-C4' energy: -31.515
flat angles C4'-P-C4' energy: -32.629
flat angles P-C4'-P energy: -17.309
tors. eta vs tors. theta energy: -44.393
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: 8
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -510.372342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.372342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.372342 (E_RNA)
where:
Base-Base interactions energy: -358.510
where: short stacking energy: -151.513
Base-Backbone interact. energy: -0.015
local terms energy: -151.847825
where:
bonds (distance) C4'-P energy: -28.193
bonds (distance) P-C4' energy: -22.084
flat angles C4'-P-C4' energy: -31.266
flat angles P-C4'-P energy: -23.407
tors. eta vs tors. theta energy: -46.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -508.558000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.558000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.558000 (E_RNA)
where:
Base-Base interactions energy: -358.379
where: short stacking energy: -150.595
Base-Backbone interact. energy: -0.165
local terms energy: -150.013666
where:
bonds (distance) C4'-P energy: -25.662
bonds (distance) P-C4' energy: -31.786
flat angles C4'-P-C4' energy: -25.337
flat angles P-C4'-P energy: -22.336
tors. eta vs tors. theta energy: -44.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -439.251131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.251131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.251131 (E_RNA)
where:
Base-Base interactions energy: -302.320
where: short stacking energy: -137.954
Base-Backbone interact. energy: -0.631
local terms energy: -136.300439
where:
bonds (distance) C4'-P energy: -26.562
bonds (distance) P-C4' energy: -26.907
flat angles C4'-P-C4' energy: -30.981
flat angles P-C4'-P energy: -12.624
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: 7, replica: 10
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -406.833329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.833329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.833329 (E_RNA)
where:
Base-Base interactions energy: -281.428
where: short stacking energy: -112.307
Base-Backbone interact. energy: 0.114
local terms energy: -125.519739
where:
bonds (distance) C4'-P energy: -23.257
bonds (distance) P-C4' energy: -27.993
flat angles C4'-P-C4' energy: -30.968
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -33.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -382.196708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.196708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.196708 (E_RNA)
where:
Base-Base interactions energy: -261.621
where: short stacking energy: -116.314
Base-Backbone interact. energy: -0.174
local terms energy: -120.401609
where:
bonds (distance) C4'-P energy: -18.578
bonds (distance) P-C4' energy: -27.000
flat angles C4'-P-C4' energy: -31.272
flat angles P-C4'-P energy: -16.826
tors. eta vs tors. theta energy: -26.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -260.004252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.004252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.004252 (E_RNA)
where:
Base-Base interactions energy: -158.895
where: short stacking energy: -82.077
Base-Backbone interact. energy: -1.741
local terms energy: -99.368663
where:
bonds (distance) C4'-P energy: -25.372
bonds (distance) P-C4' energy: -20.990
flat angles C4'-P-C4' energy: -19.722
flat angles P-C4'-P energy: -18.088
tors. eta vs tors. theta energy: -15.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -137.984951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.984951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.984951 (E_RNA)
where:
Base-Base interactions energy: -49.823
where: short stacking energy: -45.028
Base-Backbone interact. energy: -0.257
local terms energy: -87.905004
where:
bonds (distance) C4'-P energy: -24.774
bonds (distance) P-C4' energy: -26.502
flat angles C4'-P-C4' energy: -19.429
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -4.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -532.977117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.977117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.977117 (E_RNA)
where:
Base-Base interactions energy: -377.958
where: short stacking energy: -161.221
Base-Backbone interact. energy: -0.070
local terms energy: -154.948931
where:
bonds (distance) C4'-P energy: -22.553
bonds (distance) P-C4' energy: -30.037
flat angles C4'-P-C4' energy: -32.976
flat angles P-C4'-P energy: -23.446
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: 2, replica: 7
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -530.627056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.627056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.627056 (E_RNA)
where:
Base-Base interactions energy: -373.983
where: short stacking energy: -152.163
Base-Backbone interact. energy: -0.182
local terms energy: -156.461375
where:
bonds (distance) C4'-P energy: -25.254
bonds (distance) P-C4' energy: -28.777
flat angles C4'-P-C4' energy: -32.240
flat angles P-C4'-P energy: -24.724
tors. eta vs tors. theta energy: -45.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -522.415055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.415055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.415055 (E_RNA)
where:
Base-Base interactions energy: -369.975
where: short stacking energy: -154.651
Base-Backbone interact. energy: -1.003
local terms energy: -151.436415
where:
bonds (distance) C4'-P energy: -25.252
bonds (distance) P-C4' energy: -22.947
flat angles C4'-P-C4' energy: -34.467
flat angles P-C4'-P energy: -21.894
tors. eta vs tors. theta energy: -46.876
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: 9
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -512.702298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.702298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.702298 (E_RNA)
where:
Base-Base interactions energy: -365.717
where: short stacking energy: -145.233
Base-Backbone interact. energy: -0.331
local terms energy: -146.653864
where:
bonds (distance) C4'-P energy: -27.505
bonds (distance) P-C4' energy: -28.495
flat angles C4'-P-C4' energy: -29.771
flat angles P-C4'-P energy: -19.765
tors. eta vs tors. theta energy: -41.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -499.078491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.078491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.078491 (E_RNA)
where:
Base-Base interactions energy: -347.749
where: short stacking energy: -145.261
Base-Backbone interact. energy: -0.005
local terms energy: -151.324231
where:
bonds (distance) C4'-P energy: -25.871
bonds (distance) P-C4' energy: -21.423
flat angles C4'-P-C4' energy: -34.921
flat angles P-C4'-P energy: -23.607
tors. eta vs tors. theta energy: -45.501
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: 6, replica: 10
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -436.661297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.661297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.661297 (E_RNA)
where:
Base-Base interactions energy: -289.863
where: short stacking energy: -118.668
Base-Backbone interact. energy: -0.894
local terms energy: -145.905156
where:
bonds (distance) C4'-P energy: -26.759
bonds (distance) P-C4' energy: -32.744
flat angles C4'-P-C4' energy: -30.353
flat angles P-C4'-P energy: -25.036
tors. eta vs tors. theta energy: -31.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -429.793912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.793912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.793912 (E_RNA)
where:
Base-Base interactions energy: -294.189
where: short stacking energy: -131.113
Base-Backbone interact. energy: 0.057
local terms energy: -135.662366
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -27.646
flat angles P-C4'-P energy: -18.253
tors. eta vs tors. theta energy: -39.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -425.015732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.015732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.015732 (E_RNA)
where:
Base-Base interactions energy: -291.060
where: short stacking energy: -135.357
Base-Backbone interact. energy: -0.354
local terms energy: -133.601681
where:
bonds (distance) C4'-P energy: -32.300
bonds (distance) P-C4' energy: -26.055
flat angles C4'-P-C4' energy: -20.632
flat angles P-C4'-P energy: -16.225
tors. eta vs tors. theta energy: -38.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -237.283982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.283982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.283982 (E_RNA)
where:
Base-Base interactions energy: -143.211
where: short stacking energy: -70.903
Base-Backbone interact. energy: -0.203
local terms energy: -93.870010
where:
bonds (distance) C4'-P energy: -29.203
bonds (distance) P-C4' energy: -22.998
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -15.504
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: 10, replica: 5
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -134.279575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.279575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.279575 (E_RNA)
where:
Base-Base interactions energy: -56.581
where: short stacking energy: -47.743
Base-Backbone interact. energy: 0.325
local terms energy: -78.023680
where:
bonds (distance) C4'-P energy: -23.643
bonds (distance) P-C4' energy: -23.971
flat angles C4'-P-C4' energy: -19.667
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -533.768747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.768747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.768747 (E_RNA)
where:
Base-Base interactions energy: -376.046
where: short stacking energy: -155.093
Base-Backbone interact. energy: -0.664
local terms energy: -157.059329
where:
bonds (distance) C4'-P energy: -27.195
bonds (distance) P-C4' energy: -25.660
flat angles C4'-P-C4' energy: -34.050
flat angles P-C4'-P energy: -23.508
tors. eta vs tors. theta energy: -46.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -532.847487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.847487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.847487 (E_RNA)
where:
Base-Base interactions energy: -384.851
where: short stacking energy: -149.363
Base-Backbone interact. energy: 1.417
local terms energy: -149.413422
where:
bonds (distance) C4'-P energy: -24.599
bonds (distance) P-C4' energy: -23.909
flat angles C4'-P-C4' energy: -29.192
flat angles P-C4'-P energy: -25.423
tors. eta vs tors. theta energy: -46.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -519.283977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.283977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.283977 (E_RNA)
where:
Base-Base interactions energy: -367.834
where: short stacking energy: -156.020
Base-Backbone interact. energy: -0.070
local terms energy: -151.380594
where:
bonds (distance) C4'-P energy: -31.073
bonds (distance) P-C4' energy: -23.529
flat angles C4'-P-C4' energy: -32.406
flat angles P-C4'-P energy: -20.478
tors. eta vs tors. theta energy: -43.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -514.614440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.614440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.614440 (E_RNA)
where:
Base-Base interactions energy: -363.820
where: short stacking energy: -154.019
Base-Backbone interact. energy: -0.077
local terms energy: -150.718198
where:
bonds (distance) C4'-P energy: -25.734
bonds (distance) P-C4' energy: -25.386
flat angles C4'-P-C4' energy: -32.476
flat angles P-C4'-P energy: -21.917
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: 5, replica: 8
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -490.370838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.370838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.370838 (E_RNA)
where:
Base-Base interactions energy: -341.022
where: short stacking energy: -146.813
Base-Backbone interact. energy: -0.184
local terms energy: -149.164603
where:
bonds (distance) C4'-P energy: -24.985
bonds (distance) P-C4' energy: -24.367
flat angles C4'-P-C4' energy: -30.974
flat angles P-C4'-P energy: -23.837
tors. eta vs tors. theta energy: -45.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -429.873338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.873338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.873338 (E_RNA)
where:
Base-Base interactions energy: -294.204
where: short stacking energy: -125.421
Base-Backbone interact. energy: -0.243
local terms energy: -135.426687
where:
bonds (distance) C4'-P energy: -22.252
bonds (distance) P-C4' energy: -25.702
flat angles C4'-P-C4' energy: -30.813
flat angles P-C4'-P energy: -21.567
tors. eta vs tors. theta energy: -35.093
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: 7, replica: 2
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -410.968620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.968620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.968620 (E_RNA)
where:
Base-Base interactions energy: -286.337
where: short stacking energy: -122.849
Base-Backbone interact. energy: -0.659
local terms energy: -123.972260
where:
bonds (distance) C4'-P energy: -26.405
bonds (distance) P-C4' energy: -24.868
flat angles C4'-P-C4' energy: -21.036
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -38.965
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: 3
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -424.539433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.539433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.539433 (E_RNA)
where:
Base-Base interactions energy: -287.992
where: short stacking energy: -123.788
Base-Backbone interact. energy: -0.119
local terms energy: -136.428456
where:
bonds (distance) C4'-P energy: -28.398
bonds (distance) P-C4' energy: -21.918
flat angles C4'-P-C4' energy: -27.912
flat angles P-C4'-P energy: -21.120
tors. eta vs tors. theta energy: -37.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -235.110751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.110751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.110751 (E_RNA)
where:
Base-Base interactions energy: -144.122
where: short stacking energy: -68.934
Base-Backbone interact. energy: -1.241
local terms energy: -89.747413
where:
bonds (distance) C4'-P energy: -27.426
bonds (distance) P-C4' energy: -26.348
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -8.530
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: 5
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -141.646165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.646165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.646165 (E_RNA)
where:
Base-Base interactions energy: -55.768
where: short stacking energy: -45.638
Base-Backbone interact. energy: -0.531
local terms energy: -85.347311
where:
bonds (distance) C4'-P energy: -21.796
bonds (distance) P-C4' energy: -28.965
flat angles C4'-P-C4' energy: -24.657
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: -4.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -520.913504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.913504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.913504 (E_RNA)
where:
Base-Base interactions energy: -367.156
where: short stacking energy: -150.621
Base-Backbone interact. energy: -0.599
local terms energy: -153.158519
where:
bonds (distance) C4'-P energy: -28.888
bonds (distance) P-C4' energy: -29.649
flat angles C4'-P-C4' energy: -28.854
flat angles P-C4'-P energy: -23.147
tors. eta vs tors. theta energy: -42.620
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: 9
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -517.947034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.947034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.947034 (E_RNA)
where:
Base-Base interactions energy: -361.462
where: short stacking energy: -149.752
Base-Backbone interact. energy: -0.580
local terms energy: -155.904410
where:
bonds (distance) C4'-P energy: -22.505
bonds (distance) P-C4' energy: -33.510
flat angles C4'-P-C4' energy: -32.022
flat angles P-C4'-P energy: -22.787
tors. eta vs tors. theta energy: -45.080
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: 6
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -516.407233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.407233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.407233 (E_RNA)
where:
Base-Base interactions energy: -368.649
where: short stacking energy: -147.719
Base-Backbone interact. energy: -0.184
local terms energy: -147.573615
where:
bonds (distance) C4'-P energy: -23.658
bonds (distance) P-C4' energy: -25.761
flat angles C4'-P-C4' energy: -32.426
flat angles P-C4'-P energy: -21.976
tors. eta vs tors. theta energy: -43.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -513.827804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.827804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.827804 (E_RNA)
where:
Base-Base interactions energy: -362.067
where: short stacking energy: -150.460
Base-Backbone interact. energy: -0.059
local terms energy: -151.701180
where:
bonds (distance) C4'-P energy: -21.333
bonds (distance) P-C4' energy: -30.633
flat angles C4'-P-C4' energy: -31.404
flat angles P-C4'-P energy: -23.285
tors. eta vs tors. theta energy: -45.046
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: 4
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -500.689648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.689648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.689648 (E_RNA)
where:
Base-Base interactions energy: -350.319
where: short stacking energy: -139.625
Base-Backbone interact. energy: -0.317
local terms energy: -150.054004
where:
bonds (distance) C4'-P energy: -22.940
bonds (distance) P-C4' energy: -29.569
flat angles C4'-P-C4' energy: -33.034
flat angles P-C4'-P energy: -17.338
tors. eta vs tors. theta energy: -47.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -409.727002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.727002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.727002 (E_RNA)
where:
Base-Base interactions energy: -280.931
where: short stacking energy: -123.307
Base-Backbone interact. energy: -0.104
local terms energy: -128.692159
where:
bonds (distance) C4'-P energy: -26.323
bonds (distance) P-C4' energy: -26.639
flat angles C4'-P-C4' energy: -27.730
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -33.957
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: 10
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -422.118553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.118553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.118553 (E_RNA)
where:
Base-Base interactions energy: -289.213
where: short stacking energy: -116.255
Base-Backbone interact. energy: -0.032
local terms energy: -132.872981
where:
bonds (distance) C4'-P energy: -22.820
bonds (distance) P-C4' energy: -28.805
flat angles C4'-P-C4' energy: -22.907
flat angles P-C4'-P energy: -16.233
tors. eta vs tors. theta energy: -42.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -387.225961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.225961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.225961 (E_RNA)
where:
Base-Base interactions energy: -267.728
where: short stacking energy: -119.186
Base-Backbone interact. energy: -0.089
local terms energy: -119.409338
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -22.559
flat angles C4'-P-C4' energy: -23.343
flat angles P-C4'-P energy: -13.404
tors. eta vs tors. theta energy: -37.347
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: 417
Temperature: 1.300000
Total energy: -254.056482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.056482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.056482 (E_RNA)
where:
Base-Base interactions energy: -150.202
where: short stacking energy: -79.169
Base-Backbone interact. energy: -0.896
local terms energy: -102.957810
where:
bonds (distance) C4'-P energy: -25.749
bonds (distance) P-C4' energy: -20.000
flat angles C4'-P-C4' energy: -18.527
flat angles P-C4'-P energy: -23.229
tors. eta vs tors. theta energy: -15.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -166.956433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.956433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.956433 (E_RNA)
where:
Base-Base interactions energy: -74.510
where: short stacking energy: -44.740
Base-Backbone interact. energy: -1.111
local terms energy: -91.334751
where:
bonds (distance) C4'-P energy: -29.547
bonds (distance) P-C4' energy: -17.164
flat angles C4'-P-C4' energy: -25.308
flat angles P-C4'-P energy: -18.129
tors. eta vs tors. theta energy: -1.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -522.436050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.436050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.436050 (E_RNA)
where:
Base-Base interactions energy: -369.629
where: short stacking energy: -160.525
Base-Backbone interact. energy: -0.563
local terms energy: -152.244153
where:
bonds (distance) C4'-P energy: -27.787
bonds (distance) P-C4' energy: -27.937
flat angles C4'-P-C4' energy: -31.185
flat angles P-C4'-P energy: -21.927
tors. eta vs tors. theta energy: -43.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -519.904186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.904186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.904186 (E_RNA)
where:
Base-Base interactions energy: -373.886
where: short stacking energy: -146.755
Base-Backbone interact. energy: -0.706
local terms energy: -145.312168
where:
bonds (distance) C4'-P energy: -26.063
bonds (distance) P-C4' energy: -27.569
flat angles C4'-P-C4' energy: -27.684
flat angles P-C4'-P energy: -22.721
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: 3, replica: 8
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -529.012006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.012006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.012006 (E_RNA)
where:
Base-Base interactions energy: -370.436
where: short stacking energy: -154.885
Base-Backbone interact. energy: -0.390
local terms energy: -158.186006
where:
bonds (distance) C4'-P energy: -30.170
bonds (distance) P-C4' energy: -32.836
flat angles C4'-P-C4' energy: -31.351
flat angles P-C4'-P energy: -18.572
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: 4, replica: 6
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -512.201095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.201095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.201095 (E_RNA)
where:
Base-Base interactions energy: -368.375
where: short stacking energy: -155.738
Base-Backbone interact. energy: -0.160
local terms energy: -143.665471
where:
bonds (distance) C4'-P energy: -22.563
bonds (distance) P-C4' energy: -25.464
flat angles C4'-P-C4' energy: -27.391
flat angles P-C4'-P energy: -24.352
tors. eta vs tors. theta energy: -43.895
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: 4
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -491.734789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.734789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.734789 (E_RNA)
where:
Base-Base interactions energy: -350.306
where: short stacking energy: -135.593
Base-Backbone interact. energy: -0.200
local terms energy: -141.228345
where:
bonds (distance) C4'-P energy: -29.536
bonds (distance) P-C4' energy: -21.153
flat angles C4'-P-C4' energy: -26.126
flat angles P-C4'-P energy: -19.230
tors. eta vs tors. theta energy: -45.184
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: 2
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -420.240263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.240263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.240263 (E_RNA)
where:
Base-Base interactions energy: -292.623
where: short stacking energy: -134.881
Base-Backbone interact. energy: -0.312
local terms energy: -127.305084
where:
bonds (distance) C4'-P energy: -22.505
bonds (distance) P-C4' energy: -25.352
flat angles C4'-P-C4' energy: -27.378
flat angles P-C4'-P energy: -14.456
tors. eta vs tors. theta energy: -37.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -420.029619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.029619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.029619 (E_RNA)
where:
Base-Base interactions energy: -293.467
where: short stacking energy: -115.781
Base-Backbone interact. energy: 0.302
local terms energy: -126.864908
where:
bonds (distance) C4'-P energy: -26.196
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -23.865
flat angles P-C4'-P energy: -20.271
tors. eta vs tors. theta energy: -36.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -387.404106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.404106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.404106 (E_RNA)
where:
Base-Base interactions energy: -263.208
where: short stacking energy: -117.183
Base-Backbone interact. energy: -0.199
local terms energy: -123.997047
where:
bonds (distance) C4'-P energy: -23.961
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -22.029
flat angles P-C4'-P energy: -21.783
tors. eta vs tors. theta energy: -37.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -217.395665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.395665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.395665 (E_RNA)
where:
Base-Base interactions energy: -137.372
where: short stacking energy: -79.354
Base-Backbone interact. energy: -0.198
local terms energy: -79.826086
where:
bonds (distance) C4'-P energy: -22.672
bonds (distance) P-C4' energy: -24.520
flat angles C4'-P-C4' energy: -26.675
flat angles P-C4'-P energy: 6.922
tors. eta vs tors. theta energy: -12.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -194.687973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.687973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.687973 (E_RNA)
where:
Base-Base interactions energy: -108.609
where: short stacking energy: -60.061
Base-Backbone interact. energy: -0.375
local terms energy: -85.703520
where:
bonds (distance) C4'-P energy: -22.082
bonds (distance) P-C4' energy: -27.356
flat angles C4'-P-C4' energy: -22.957
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -2.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -534.884695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.884695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.884695 (E_RNA)
where:
Base-Base interactions energy: -379.076
where: short stacking energy: -154.819
Base-Backbone interact. energy: -0.133
local terms energy: -155.675956
where:
bonds (distance) C4'-P energy: -26.331
bonds (distance) P-C4' energy: -28.897
flat angles C4'-P-C4' energy: -32.933
flat angles P-C4'-P energy: -22.876
tors. eta vs tors. theta energy: -44.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -514.962570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.962570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.962570 (E_RNA)
where:
Base-Base interactions energy: -371.074
where: short stacking energy: -155.295
Base-Backbone interact. energy: -0.275
local terms energy: -143.613739
where:
bonds (distance) C4'-P energy: -26.797
bonds (distance) P-C4' energy: -24.577
flat angles C4'-P-C4' energy: -29.528
flat angles P-C4'-P energy: -18.889
tors. eta vs tors. theta energy: -43.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -519.929269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.929269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.929269 (E_RNA)
where:
Base-Base interactions energy: -366.229
where: short stacking energy: -152.925
Base-Backbone interact. energy: -0.188
local terms energy: -153.512800
where:
bonds (distance) C4'-P energy: -26.506
bonds (distance) P-C4' energy: -29.545
flat angles C4'-P-C4' energy: -29.847
flat angles P-C4'-P energy: -22.944
tors. eta vs tors. theta energy: -44.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -507.026295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.026295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.026295 (E_RNA)
where:
Base-Base interactions energy: -363.360
where: short stacking energy: -140.015
Base-Backbone interact. energy: -0.204
local terms energy: -143.462391
where:
bonds (distance) C4'-P energy: -24.831
bonds (distance) P-C4' energy: -30.762
flat angles C4'-P-C4' energy: -31.596
flat angles P-C4'-P energy: -17.546
tors. eta vs tors. theta energy: -38.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -485.990964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.990964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.990964 (E_RNA)
where:
Base-Base interactions energy: -338.985
where: short stacking energy: -132.041
Base-Backbone interact. energy: -0.167
local terms energy: -146.839071
where:
bonds (distance) C4'-P energy: -27.604
bonds (distance) P-C4' energy: -28.330
flat angles C4'-P-C4' energy: -33.269
flat angles P-C4'-P energy: -16.520
tors. eta vs tors. theta energy: -41.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -419.490691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.490691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.490691 (E_RNA)
where:
Base-Base interactions energy: -287.405
where: short stacking energy: -133.947
Base-Backbone interact. energy: -0.071
local terms energy: -132.015138
where:
bonds (distance) C4'-P energy: -28.736
bonds (distance) P-C4' energy: -21.124
flat angles C4'-P-C4' energy: -23.411
flat angles P-C4'-P energy: -19.984
tors. eta vs tors. theta energy: -38.760
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: 2
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -388.975544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.975544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.975544 (E_RNA)
where:
Base-Base interactions energy: -268.028
where: short stacking energy: -127.492
Base-Backbone interact. energy: -0.537
local terms energy: -120.410848
where:
bonds (distance) C4'-P energy: -21.853
bonds (distance) P-C4' energy: -23.848
flat angles C4'-P-C4' energy: -29.351
flat angles P-C4'-P energy: -14.737
tors. eta vs tors. theta energy: -30.622
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: 8, replica: 3
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -415.063014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.063014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.063014 (E_RNA)
where:
Base-Base interactions energy: -285.339
where: short stacking energy: -135.580
Base-Backbone interact. energy: 2.956
local terms energy: -132.679793
where:
bonds (distance) C4'-P energy: -24.185
bonds (distance) P-C4' energy: -21.084
flat angles C4'-P-C4' energy: -27.036
flat angles P-C4'-P energy: -20.175
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: 9, replica: 1
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -245.660024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.660024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.660024 (E_RNA)
where:
Base-Base interactions energy: -157.856
where: short stacking energy: -61.170
Base-Backbone interact. energy: 0.030
local terms energy: -87.833800
where:
bonds (distance) C4'-P energy: -26.856
bonds (distance) P-C4' energy: -31.117
flat angles C4'-P-C4' energy: -21.665
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: 1.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -224.601108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.601108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.601108 (E_RNA)
where:
Base-Base interactions energy: -120.509
where: short stacking energy: -67.063
Base-Backbone interact. energy: -0.337
local terms energy: -103.754922
where:
bonds (distance) C4'-P energy: -23.175
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -28.951
flat angles P-C4'-P energy: -20.574
tors. eta vs tors. theta energy: -11.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -528.901765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.901765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.901765 (E_RNA)
where:
Base-Base interactions energy: -373.904
where: short stacking energy: -149.151
Base-Backbone interact. energy: -0.972
local terms energy: -154.025646
where:
bonds (distance) C4'-P energy: -30.188
bonds (distance) P-C4' energy: -27.956
flat angles C4'-P-C4' energy: -31.021
flat angles P-C4'-P energy: -20.393
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: 7
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -536.672563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.672563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.672563 (E_RNA)
where:
Base-Base interactions energy: -368.993
where: short stacking energy: -152.796
Base-Backbone interact. energy: -0.030
local terms energy: -167.649234
where:
bonds (distance) C4'-P energy: -30.982
bonds (distance) P-C4' energy: -32.033
flat angles C4'-P-C4' energy: -29.499
flat angles P-C4'-P energy: -24.348
tors. eta vs tors. theta energy: -50.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -519.371120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.371120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.371120 (E_RNA)
where:
Base-Base interactions energy: -369.244
where: short stacking energy: -147.597
Base-Backbone interact. energy: -0.421
local terms energy: -149.705896
where:
bonds (distance) C4'-P energy: -26.823
bonds (distance) P-C4' energy: -28.977
flat angles C4'-P-C4' energy: -27.148
flat angles P-C4'-P energy: -22.824
tors. eta vs tors. theta energy: -43.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -502.800059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.800059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.800059 (E_RNA)
where:
Base-Base interactions energy: -344.981
where: short stacking energy: -144.452
Base-Backbone interact. energy: -0.247
local terms energy: -157.572251
where:
bonds (distance) C4'-P energy: -29.902
bonds (distance) P-C4' energy: -28.756
flat angles C4'-P-C4' energy: -30.143
flat angles P-C4'-P energy: -22.072
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: 5, replica: 4
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -503.909634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.909634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.909634 (E_RNA)
where:
Base-Base interactions energy: -347.559
where: short stacking energy: -148.015
Base-Backbone interact. energy: -1.438
local terms energy: -154.912625
where:
bonds (distance) C4'-P energy: -20.661
bonds (distance) P-C4' energy: -31.197
flat angles C4'-P-C4' energy: -33.732
flat angles P-C4'-P energy: -20.571
tors. eta vs tors. theta energy: -48.752
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: 10
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -434.555089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.555089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.555089 (E_RNA)
where:
Base-Base interactions energy: -292.530
where: short stacking energy: -121.816
Base-Backbone interact. energy: 0.065
local terms energy: -142.089587
where:
bonds (distance) C4'-P energy: -28.293
bonds (distance) P-C4' energy: -21.491
flat angles C4'-P-C4' energy: -27.523
flat angles P-C4'-P energy: -24.586
tors. eta vs tors. theta energy: -40.197
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: 3
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -415.778790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.778790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.778790 (E_RNA)
where:
Base-Base interactions energy: -287.524
where: short stacking energy: -125.027
Base-Backbone interact. energy: 1.551
local terms energy: -129.805153
where:
bonds (distance) C4'-P energy: -26.334
bonds (distance) P-C4' energy: -24.925
flat angles C4'-P-C4' energy: -26.864
flat angles P-C4'-P energy: -16.969
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: 8, replica: 2
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -404.935733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.935733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.935733 (E_RNA)
where:
Base-Base interactions energy: -284.937
where: short stacking energy: -127.466
Base-Backbone interact. energy: 3.406
local terms energy: -123.405077
where:
bonds (distance) C4'-P energy: -21.777
bonds (distance) P-C4' energy: -25.582
flat angles C4'-P-C4' energy: -30.252
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -32.515
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: 9, replica: 1
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -241.850933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.850933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.850933 (E_RNA)
where:
Base-Base interactions energy: -139.412
where: short stacking energy: -65.780
Base-Backbone interact. energy: -0.841
local terms energy: -101.598395
where:
bonds (distance) C4'-P energy: -21.796
bonds (distance) P-C4' energy: -25.766
flat angles C4'-P-C4' energy: -26.372
flat angles P-C4'-P energy: -14.185
tors. eta vs tors. theta energy: -13.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -199.023978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.023978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.023978 (E_RNA)
where:
Base-Base interactions energy: -110.671
where: short stacking energy: -57.291
Base-Backbone interact. energy: 0.230
local terms energy: -88.582200
where:
bonds (distance) C4'-P energy: -25.505
bonds (distance) P-C4' energy: -26.413
flat angles C4'-P-C4' energy: -21.854
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -5.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -538.124420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.124420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.124420 (E_RNA)
where:
Base-Base interactions energy: -389.061
where: short stacking energy: -155.685
Base-Backbone interact. energy: -0.546
local terms energy: -148.516823
where:
bonds (distance) C4'-P energy: -21.293
bonds (distance) P-C4' energy: -25.914
flat angles C4'-P-C4' energy: -34.077
flat angles P-C4'-P energy: -24.089
tors. eta vs tors. theta energy: -43.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -536.524662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.524662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.524662 (E_RNA)
where:
Base-Base interactions energy: -376.155
where: short stacking energy: -159.413
Base-Backbone interact. energy: -0.319
local terms energy: -160.050514
where:
bonds (distance) C4'-P energy: -31.091
bonds (distance) P-C4' energy: -26.168
flat angles C4'-P-C4' energy: -31.694
flat angles P-C4'-P energy: -23.180
tors. eta vs tors. theta energy: -47.918
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: 6
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -513.047404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.047404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.047404 (E_RNA)
where:
Base-Base interactions energy: -362.224
where: short stacking energy: -153.377
Base-Backbone interact. energy: -0.002
local terms energy: -150.821361
where:
bonds (distance) C4'-P energy: -25.565
bonds (distance) P-C4' energy: -26.672
flat angles C4'-P-C4' energy: -30.053
flat angles P-C4'-P energy: -20.674
tors. eta vs tors. theta energy: -47.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -502.706117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.706117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.706117 (E_RNA)
where:
Base-Base interactions energy: -361.058
where: short stacking energy: -148.231
Base-Backbone interact. energy: -0.940
local terms energy: -140.708102
where:
bonds (distance) C4'-P energy: -24.926
bonds (distance) P-C4' energy: -19.607
flat angles C4'-P-C4' energy: -28.551
flat angles P-C4'-P energy: -24.336
tors. eta vs tors. theta energy: -43.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -502.271429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.271429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.271429 (E_RNA)
where:
Base-Base interactions energy: -342.824
where: short stacking energy: -144.307
Base-Backbone interact. energy: -0.840
local terms energy: -158.607122
where:
bonds (distance) C4'-P energy: -29.898
bonds (distance) P-C4' energy: -29.064
flat angles C4'-P-C4' energy: -27.754
flat angles P-C4'-P energy: -24.511
tors. eta vs tors. theta energy: -47.382
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: 3
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -408.032407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.032407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.032407 (E_RNA)
where:
Base-Base interactions energy: -283.651
where: short stacking energy: -133.219
Base-Backbone interact. energy: -0.779
local terms energy: -123.602270
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -22.107
flat angles C4'-P-C4' energy: -30.092
flat angles P-C4'-P energy: -22.232
tors. eta vs tors. theta energy: -34.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -432.253250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.253250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.253250 (E_RNA)
where:
Base-Base interactions energy: -295.781
where: short stacking energy: -123.674
Base-Backbone interact. energy: -0.202
local terms energy: -136.270357
where:
bonds (distance) C4'-P energy: -25.718
bonds (distance) P-C4' energy: -28.474
flat angles C4'-P-C4' energy: -26.076
flat angles P-C4'-P energy: -21.760
tors. eta vs tors. theta energy: -34.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -417.976995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.976995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.976995 (E_RNA)
where:
Base-Base interactions energy: -277.775
where: short stacking energy: -130.047
Base-Backbone interact. energy: -0.020
local terms energy: -140.181989
where:
bonds (distance) C4'-P energy: -25.641
bonds (distance) P-C4' energy: -23.946
flat angles C4'-P-C4' energy: -32.626
flat angles P-C4'-P energy: -18.317
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: 9, replica: 1
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -217.991014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.991014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.991014 (E_RNA)
where:
Base-Base interactions energy: -111.037
where: short stacking energy: -54.895
Base-Backbone interact. energy: -0.864
local terms energy: -106.089740
where:
bonds (distance) C4'-P energy: -20.505
bonds (distance) P-C4' energy: -34.261
flat angles C4'-P-C4' energy: -28.968
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -9.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -204.078877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.078877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.078877 (E_RNA)
where:
Base-Base interactions energy: -97.507
where: short stacking energy: -60.286
Base-Backbone interact. energy: -1.006
local terms energy: -105.565927
where:
bonds (distance) C4'-P energy: -25.128
bonds (distance) P-C4' energy: -29.382
flat angles C4'-P-C4' energy: -26.174
flat angles P-C4'-P energy: -18.426
tors. eta vs tors. theta energy: -6.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -536.464036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.464036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.464036 (E_RNA)
where:
Base-Base interactions energy: -396.797
where: short stacking energy: -155.930
Base-Backbone interact. energy: -0.392
local terms energy: -139.275003
where:
bonds (distance) C4'-P energy: -25.800
bonds (distance) P-C4' energy: -21.000
flat angles C4'-P-C4' energy: -28.664
flat angles P-C4'-P energy: -19.925
tors. eta vs tors. theta energy: -43.886
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: 8
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -539.471120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.471120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.471120 (E_RNA)
where:
Base-Base interactions energy: -381.500
where: short stacking energy: -141.566
Base-Backbone interact. energy: -0.048
local terms energy: -157.922787
where:
bonds (distance) C4'-P energy: -33.226
bonds (distance) P-C4' energy: -25.196
flat angles C4'-P-C4' energy: -30.023
flat angles P-C4'-P energy: -26.766
tors. eta vs tors. theta energy: -42.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -514.219938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.219938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.219938 (E_RNA)
where:
Base-Base interactions energy: -357.725
where: short stacking energy: -152.037
Base-Backbone interact. energy: -0.002
local terms energy: -156.493709
where:
bonds (distance) C4'-P energy: -23.952
bonds (distance) P-C4' energy: -29.667
flat angles C4'-P-C4' energy: -34.588
flat angles P-C4'-P energy: -21.797
tors. eta vs tors. theta energy: -46.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -502.232421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.232421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.232421 (E_RNA)
where:
Base-Base interactions energy: -354.517
where: short stacking energy: -135.688
Base-Backbone interact. energy: -0.004
local terms energy: -147.711306
where:
bonds (distance) C4'-P energy: -25.852
bonds (distance) P-C4' energy: -25.678
flat angles C4'-P-C4' energy: -31.120
flat angles P-C4'-P energy: -21.829
tors. eta vs tors. theta energy: -43.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -488.644985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.644985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.644985 (E_RNA)
where:
Base-Base interactions energy: -339.180
where: short stacking energy: -146.161
Base-Backbone interact. energy: -0.044
local terms energy: -149.421388
where:
bonds (distance) C4'-P energy: -25.383
bonds (distance) P-C4' energy: -24.336
flat angles C4'-P-C4' energy: -33.596
flat angles P-C4'-P energy: -22.571
tors. eta vs tors. theta energy: -43.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -437.631547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.631547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.631547 (E_RNA)
where:
Base-Base interactions energy: -292.591
where: short stacking energy: -135.539
Base-Backbone interact. energy: -0.029
local terms energy: -145.011930
where:
bonds (distance) C4'-P energy: -25.506
bonds (distance) P-C4' energy: -28.767
flat angles C4'-P-C4' energy: -31.107
flat angles P-C4'-P energy: -20.600
tors. eta vs tors. theta energy: -39.033
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: 2
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -427.421777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.421777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.421777 (E_RNA)
where:
Base-Base interactions energy: -287.785
where: short stacking energy: -128.811
Base-Backbone interact. energy: -1.167
local terms energy: -138.469783
where:
bonds (distance) C4'-P energy: -26.452
bonds (distance) P-C4' energy: -21.368
flat angles C4'-P-C4' energy: -30.877
flat angles P-C4'-P energy: -19.474
tors. eta vs tors. theta energy: -40.298
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: 10
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -403.953345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.953345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.953345 (E_RNA)
where:
Base-Base interactions energy: -291.360
where: short stacking energy: -118.030
Base-Backbone interact. energy: -0.698
local terms energy: -111.895821
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -20.678
flat angles C4'-P-C4' energy: -23.515
flat angles P-C4'-P energy: -20.190
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: 9, replica: 5
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -248.983069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.983069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.983069 (E_RNA)
where:
Base-Base interactions energy: -152.134
where: short stacking energy: -83.966
Base-Backbone interact. energy: -0.125
local terms energy: -96.724050
where:
bonds (distance) C4'-P energy: -18.540
bonds (distance) P-C4' energy: -27.082
flat angles C4'-P-C4' energy: -18.154
flat angles P-C4'-P energy: -17.822
tors. eta vs tors. theta energy: -15.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -199.349551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.349551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.349551 (E_RNA)
where:
Base-Base interactions energy: -112.240
where: short stacking energy: -54.306
Base-Backbone interact. energy: -0.930
local terms energy: -86.179764
where:
bonds (distance) C4'-P energy: -25.503
bonds (distance) P-C4' energy: -25.876
flat angles C4'-P-C4' energy: -18.716
flat angles P-C4'-P energy: -13.504
tors. eta vs tors. theta energy: -2.581
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: 1, replica: 7
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -534.331968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.331968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.331968 (E_RNA)
where:
Base-Base interactions energy: -375.331
where: short stacking energy: -152.182
Base-Backbone interact. energy: -0.282
local terms energy: -158.718841
where:
bonds (distance) C4'-P energy: -28.300
bonds (distance) P-C4' energy: -27.847
flat angles C4'-P-C4' energy: -32.163
flat angles P-C4'-P energy: -23.526
tors. eta vs tors. theta energy: -46.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -522.338535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.338535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.338535 (E_RNA)
where:
Base-Base interactions energy: -373.848
where: short stacking energy: -156.718
Base-Backbone interact. energy: -0.012
local terms energy: -148.478406
where:
bonds (distance) C4'-P energy: -23.680
bonds (distance) P-C4' energy: -27.061
flat angles C4'-P-C4' energy: -33.106
flat angles P-C4'-P energy: -20.455
tors. eta vs tors. theta energy: -44.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -527.002635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.002635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.002635 (E_RNA)
where:
Base-Base interactions energy: -379.881
where: short stacking energy: -155.779
Base-Backbone interact. energy: -0.029
local terms energy: -147.091987
where:
bonds (distance) C4'-P energy: -27.322
bonds (distance) P-C4' energy: -24.434
flat angles C4'-P-C4' energy: -30.682
flat angles P-C4'-P energy: -20.761
tors. eta vs tors. theta energy: -43.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -514.833084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.833084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.833084 (E_RNA)
where:
Base-Base interactions energy: -369.027
where: short stacking energy: -148.433
Base-Backbone interact. energy: -0.050
local terms energy: -145.755715
where:
bonds (distance) C4'-P energy: -26.584
bonds (distance) P-C4' energy: -26.871
flat angles C4'-P-C4' energy: -28.562
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: -46.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -467.189210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.189210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.189210 (E_RNA)
where:
Base-Base interactions energy: -333.215
where: short stacking energy: -139.114
Base-Backbone interact. energy: -0.708
local terms energy: -133.266688
where:
bonds (distance) C4'-P energy: -26.075
bonds (distance) P-C4' energy: -20.398
flat angles C4'-P-C4' energy: -31.483
flat angles P-C4'-P energy: -13.596
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: 6, replica: 2
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -423.014004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.014004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.014004 (E_RNA)
where:
Base-Base interactions energy: -288.982
where: short stacking energy: -124.662
Base-Backbone interact. energy: -0.053
local terms energy: -133.979193
where:
bonds (distance) C4'-P energy: -25.512
bonds (distance) P-C4' energy: -28.318
flat angles C4'-P-C4' energy: -27.331
flat angles P-C4'-P energy: -16.945
tors. eta vs tors. theta energy: -35.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -418.682701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.682701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.682701 (E_RNA)
where:
Base-Base interactions energy: -290.466
where: short stacking energy: -127.083
Base-Backbone interact. energy: -0.714
local terms energy: -127.502935
where:
bonds (distance) C4'-P energy: -21.548
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -28.365
flat angles P-C4'-P energy: -21.390
tors. eta vs tors. theta energy: -36.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -407.567620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.567620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.567620 (E_RNA)
where:
Base-Base interactions energy: -295.735
where: short stacking energy: -119.554
Base-Backbone interact. energy: -1.146
local terms energy: -110.686740
where:
bonds (distance) C4'-P energy: -18.206
bonds (distance) P-C4' energy: -27.391
flat angles C4'-P-C4' energy: -20.818
flat angles P-C4'-P energy: -17.504
tors. eta vs tors. theta energy: -26.769
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: 5
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -214.086464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.086464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.086464 (E_RNA)
where:
Base-Base interactions energy: -125.595
where: short stacking energy: -57.718
Base-Backbone interact. energy: -0.850
local terms energy: -87.641529
where:
bonds (distance) C4'-P energy: -23.514
bonds (distance) P-C4' energy: -25.299
flat angles C4'-P-C4' energy: -19.859
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -7.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -197.893477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.893477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.893477 (E_RNA)
where:
Base-Base interactions energy: -106.945
where: short stacking energy: -66.217
Base-Backbone interact. energy: -0.624
local terms energy: -90.323751
where:
bonds (distance) C4'-P energy: -27.339
bonds (distance) P-C4' energy: -22.975
flat angles C4'-P-C4' energy: -21.724
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -6.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -531.576481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.576481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.576481 (E_RNA)
where:
Base-Base interactions energy: -375.993
where: short stacking energy: -155.630
Base-Backbone interact. energy: -0.591
local terms energy: -154.992664
where:
bonds (distance) C4'-P energy: -25.217
bonds (distance) P-C4' energy: -26.824
flat angles C4'-P-C4' energy: -30.791
flat angles P-C4'-P energy: -23.402
tors. eta vs tors. theta energy: -48.760
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: 7
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -522.816559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.816559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.816559 (E_RNA)
where:
Base-Base interactions energy: -362.146
where: short stacking energy: -153.839
Base-Backbone interact. energy: -0.799
local terms energy: -159.871054
where:
bonds (distance) C4'-P energy: -28.533
bonds (distance) P-C4' energy: -28.945
flat angles C4'-P-C4' energy: -35.436
flat angles P-C4'-P energy: -20.963
tors. eta vs tors. theta energy: -45.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -511.919011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.919011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.919011 (E_RNA)
where:
Base-Base interactions energy: -365.133
where: short stacking energy: -139.125
Base-Backbone interact. energy: -0.922
local terms energy: -145.864243
where:
bonds (distance) C4'-P energy: -24.057
bonds (distance) P-C4' energy: -31.706
flat angles C4'-P-C4' energy: -30.288
flat angles P-C4'-P energy: -16.945
tors. eta vs tors. theta energy: -42.868
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: 6
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -510.655454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.655454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.655454 (E_RNA)
where:
Base-Base interactions energy: -361.356
where: short stacking energy: -148.824
Base-Backbone interact. energy: -0.200
local terms energy: -149.099179
where:
bonds (distance) C4'-P energy: -27.829
bonds (distance) P-C4' energy: -25.611
flat angles C4'-P-C4' energy: -27.537
flat angles P-C4'-P energy: -25.619
tors. eta vs tors. theta energy: -42.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -457.418405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.418405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.418405 (E_RNA)
where:
Base-Base interactions energy: -311.169
where: short stacking energy: -139.457
Base-Backbone interact. energy: -0.026
local terms energy: -146.223263
where:
bonds (distance) C4'-P energy: -23.048
bonds (distance) P-C4' energy: -33.285
flat angles C4'-P-C4' energy: -30.337
flat angles P-C4'-P energy: -20.648
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: 6, replica: 2
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -415.001049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.001049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.001049 (E_RNA)
where:
Base-Base interactions energy: -278.937
where: short stacking energy: -125.496
Base-Backbone interact. energy: -0.085
local terms energy: -135.978851
where:
bonds (distance) C4'-P energy: -20.498
bonds (distance) P-C4' energy: -27.474
flat angles C4'-P-C4' energy: -30.072
flat angles P-C4'-P energy: -17.026
tors. eta vs tors. theta energy: -40.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -417.718692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.718692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.718692 (E_RNA)
where:
Base-Base interactions energy: -289.202
where: short stacking energy: -117.714
Base-Backbone interact. energy: -0.408
local terms energy: -128.108956
where:
bonds (distance) C4'-P energy: -23.452
bonds (distance) P-C4' energy: -24.722
flat angles C4'-P-C4' energy: -32.128
flat angles P-C4'-P energy: -22.507
tors. eta vs tors. theta energy: -25.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -415.694371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.694371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.694371 (E_RNA)
where:
Base-Base interactions energy: -284.738
where: short stacking energy: -129.678
Base-Backbone interact. energy: -1.046
local terms energy: -129.909993
where:
bonds (distance) C4'-P energy: -23.193
bonds (distance) P-C4' energy: -23.711
flat angles C4'-P-C4' energy: -27.965
flat angles P-C4'-P energy: -19.112
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: 9, replica: 1
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -187.034705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.034705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.034705 (E_RNA)
where:
Base-Base interactions energy: -99.832
where: short stacking energy: -49.931
Base-Backbone interact. energy: -0.633
local terms energy: -86.569615
where:
bonds (distance) C4'-P energy: -29.672
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -19.915
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -1.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -188.501800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.501800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.501800 (E_RNA)
where:
Base-Base interactions energy: -100.000
where: short stacking energy: -46.749
Base-Backbone interact. energy: -0.560
local terms energy: -87.941831
where:
bonds (distance) C4'-P energy: -18.240
bonds (distance) P-C4' energy: -26.449
flat angles C4'-P-C4' energy: -24.167
flat angles P-C4'-P energy: -19.739
tors. eta vs tors. theta energy: 0.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -522.075023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.075023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.075023 (E_RNA)
where:
Base-Base interactions energy: -359.849
where: short stacking energy: -141.810
Base-Backbone interact. energy: -0.946
local terms energy: -161.279602
where:
bonds (distance) C4'-P energy: -29.741
bonds (distance) P-C4' energy: -28.026
flat angles C4'-P-C4' energy: -36.127
flat angles P-C4'-P energy: -24.219
tors. eta vs tors. theta energy: -43.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -517.721801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.721801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.721801 (E_RNA)
where:
Base-Base interactions energy: -357.017
where: short stacking energy: -151.204
Base-Backbone interact. energy: -0.009
local terms energy: -160.695632
where:
bonds (distance) C4'-P energy: -26.092
bonds (distance) P-C4' energy: -29.769
flat angles C4'-P-C4' energy: -32.808
flat angles P-C4'-P energy: -25.972
tors. eta vs tors. theta energy: -46.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -517.968959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.968959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.968959 (E_RNA)
where:
Base-Base interactions energy: -365.729
where: short stacking energy: -159.835
Base-Backbone interact. energy: -0.053
local terms energy: -152.187369
where:
bonds (distance) C4'-P energy: -26.302
bonds (distance) P-C4' energy: -24.494
flat angles C4'-P-C4' energy: -32.892
flat angles P-C4'-P energy: -20.999
tors. eta vs tors. theta energy: -47.501
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: 4, replica: 6
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -512.757347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.757347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.757347 (E_RNA)
where:
Base-Base interactions energy: -372.948
where: short stacking energy: -150.706
Base-Backbone interact. energy: -0.144
local terms energy: -139.664836
where:
bonds (distance) C4'-P energy: -22.212
bonds (distance) P-C4' energy: -25.046
flat angles C4'-P-C4' energy: -29.849
flat angles P-C4'-P energy: -22.964
tors. eta vs tors. theta energy: -39.595
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: 4
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -474.714440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.714440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.714440 (E_RNA)
where:
Base-Base interactions energy: -346.755
where: short stacking energy: -139.724
Base-Backbone interact. energy: -0.834
local terms energy: -127.125343
where:
bonds (distance) C4'-P energy: -19.561
bonds (distance) P-C4' energy: -27.540
flat angles C4'-P-C4' energy: -22.618
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: -44.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -428.505042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.505042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.505042 (E_RNA)
where:
Base-Base interactions energy: -290.723
where: short stacking energy: -130.421
Base-Backbone interact. energy: 0.484
local terms energy: -138.266754
where:
bonds (distance) C4'-P energy: -27.853
bonds (distance) P-C4' energy: -29.836
flat angles C4'-P-C4' energy: -25.755
flat angles P-C4'-P energy: -18.667
tors. eta vs tors. theta energy: -36.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -430.837943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.837943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.837943 (E_RNA)
where:
Base-Base interactions energy: -298.358
where: short stacking energy: -134.361
Base-Backbone interact. energy: -0.543
local terms energy: -131.936443
where:
bonds (distance) C4'-P energy: -17.645
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -34.995
flat angles P-C4'-P energy: -24.299
tors. eta vs tors. theta energy: -37.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -414.762811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.762811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.762811 (E_RNA)
where:
Base-Base interactions energy: -288.890
where: short stacking energy: -134.855
Base-Backbone interact. energy: -0.074
local terms energy: -125.799594
where:
bonds (distance) C4'-P energy: -23.812
bonds (distance) P-C4' energy: -25.315
flat angles C4'-P-C4' energy: -24.739
flat angles P-C4'-P energy: -14.874
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: 9, replica: 1
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -232.287943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.287943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.287943 (E_RNA)
where:
Base-Base interactions energy: -133.963
where: short stacking energy: -67.289
Base-Backbone interact. energy: -0.193
local terms energy: -98.131897
where:
bonds (distance) C4'-P energy: -22.392
bonds (distance) P-C4' energy: -30.103
flat angles C4'-P-C4' energy: -19.946
flat angles P-C4'-P energy: -17.442
tors. eta vs tors. theta energy: -8.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -205.528650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.528650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.528650 (E_RNA)
where:
Base-Base interactions energy: -112.814
where: short stacking energy: -62.332
Base-Backbone interact. energy: -0.559
local terms energy: -92.154967
where:
bonds (distance) C4'-P energy: -24.545
bonds (distance) P-C4' energy: -21.620
flat angles C4'-P-C4' energy: -25.973
flat angles P-C4'-P energy: -16.208
tors. eta vs tors. theta energy: -3.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -538.319229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.319229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.319229 (E_RNA)
where:
Base-Base interactions energy: -379.822
where: short stacking energy: -153.501
Base-Backbone interact. energy: -0.049
local terms energy: -158.447306
where:
bonds (distance) C4'-P energy: -31.393
bonds (distance) P-C4' energy: -25.112
flat angles C4'-P-C4' energy: -33.045
flat angles P-C4'-P energy: -21.346
tors. eta vs tors. theta energy: -47.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -544.655021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.655021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.655021 (E_RNA)
where:
Base-Base interactions energy: -383.020
where: short stacking energy: -161.676
Base-Backbone interact. energy: -0.627
local terms energy: -161.007885
where:
bonds (distance) C4'-P energy: -25.982
bonds (distance) P-C4' energy: -28.442
flat angles C4'-P-C4' energy: -30.229
flat angles P-C4'-P energy: -25.709
tors. eta vs tors. theta energy: -50.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -517.949819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.949819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.949819 (E_RNA)
where:
Base-Base interactions energy: -381.118
where: short stacking energy: -147.593
Base-Backbone interact. energy: -0.461
local terms energy: -136.371673
where:
bonds (distance) C4'-P energy: -22.349
bonds (distance) P-C4' energy: -23.029
flat angles C4'-P-C4' energy: -25.736
flat angles P-C4'-P energy: -23.091
tors. eta vs tors. theta energy: -42.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -511.711461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.711461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.711461 (E_RNA)
where:
Base-Base interactions energy: -361.290
where: short stacking energy: -152.640
Base-Backbone interact. energy: -0.014
local terms energy: -150.406752
where:
bonds (distance) C4'-P energy: -30.797
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -30.026
flat angles P-C4'-P energy: -21.579
tors. eta vs tors. theta energy: -45.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -492.501488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.501488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.501488 (E_RNA)
where:
Base-Base interactions energy: -360.173
where: short stacking energy: -152.176
Base-Backbone interact. energy: 0.127
local terms energy: -132.456150
where:
bonds (distance) C4'-P energy: -25.822
bonds (distance) P-C4' energy: -20.110
flat angles C4'-P-C4' energy: -28.812
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -46.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -417.199680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.199680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.199680 (E_RNA)
where:
Base-Base interactions energy: -283.690
where: short stacking energy: -122.929
Base-Backbone interact. energy: -0.333
local terms energy: -133.175838
where:
bonds (distance) C4'-P energy: -17.392
bonds (distance) P-C4' energy: -31.862
flat angles C4'-P-C4' energy: -28.591
flat angles P-C4'-P energy: -23.109
tors. eta vs tors. theta energy: -32.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -418.935316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.935316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.935316 (E_RNA)
where:
Base-Base interactions energy: -279.512
where: short stacking energy: -125.776
Base-Backbone interact. energy: -0.280
local terms energy: -139.144083
where:
bonds (distance) C4'-P energy: -29.143
bonds (distance) P-C4' energy: -24.946
flat angles C4'-P-C4' energy: -29.616
flat angles P-C4'-P energy: -20.187
tors. eta vs tors. theta energy: -35.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -406.068808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.068808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.068808 (E_RNA)
where:
Base-Base interactions energy: -278.545
where: short stacking energy: -120.386
Base-Backbone interact. energy: 0.025
local terms energy: -127.548791
where:
bonds (distance) C4'-P energy: -24.123
bonds (distance) P-C4' energy: -28.177
flat angles C4'-P-C4' energy: -28.171
flat angles P-C4'-P energy: -16.305
tors. eta vs tors. theta energy: -30.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -253.583393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.583393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.583393 (E_RNA)
where:
Base-Base interactions energy: -145.212
where: short stacking energy: -84.065
Base-Backbone interact. energy: -0.487
local terms energy: -107.884560
where:
bonds (distance) C4'-P energy: -26.111
bonds (distance) P-C4' energy: -26.540
flat angles C4'-P-C4' energy: -25.306
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: -16.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -210.629144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.629144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.629144 (E_RNA)
where:
Base-Base interactions energy: -115.882
where: short stacking energy: -67.548
Base-Backbone interact. energy: -0.404
local terms energy: -94.343025
where:
bonds (distance) C4'-P energy: -23.383
bonds (distance) P-C4' energy: -21.308
flat angles C4'-P-C4' energy: -27.586
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -10.355
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: 8
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -538.570746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.570746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.570746 (E_RNA)
where:
Base-Base interactions energy: -382.630
where: short stacking energy: -167.261
Base-Backbone interact. energy: 1.166
local terms energy: -157.106447
where:
bonds (distance) C4'-P energy: -29.686
bonds (distance) P-C4' energy: -26.357
flat angles C4'-P-C4' energy: -28.215
flat angles P-C4'-P energy: -25.793
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: 2, replica: 6
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -519.947044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.947044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.947044 (E_RNA)
where:
Base-Base interactions energy: -372.777
where: short stacking energy: -149.914
Base-Backbone interact. energy: -0.328
local terms energy: -146.841782
where:
bonds (distance) C4'-P energy: -23.578
bonds (distance) P-C4' energy: -27.565
flat angles C4'-P-C4' energy: -29.992
flat angles P-C4'-P energy: -21.736
tors. eta vs tors. theta energy: -43.971
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: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -520.976790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.976790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.976790 (E_RNA)
where:
Base-Base interactions energy: -359.180
where: short stacking energy: -146.957
Base-Backbone interact. energy: -0.001
local terms energy: -161.795866
where:
bonds (distance) C4'-P energy: -31.847
bonds (distance) P-C4' energy: -30.730
flat angles C4'-P-C4' energy: -32.719
flat angles P-C4'-P energy: -21.924
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: 4, replica: 7
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -508.994511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.994511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.994511 (E_RNA)
where:
Base-Base interactions energy: -365.749
where: short stacking energy: -156.506
Base-Backbone interact. energy: -0.795
local terms energy: -142.451252
where:
bonds (distance) C4'-P energy: -19.223
bonds (distance) P-C4' energy: -24.945
flat angles C4'-P-C4' energy: -30.801
flat angles P-C4'-P energy: -20.955
tors. eta vs tors. theta energy: -46.528
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: 4
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -487.141306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.141306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.141306 (E_RNA)
where:
Base-Base interactions energy: -340.017
where: short stacking energy: -140.312
Base-Backbone interact. energy: -1.070
local terms energy: -146.054298
where:
bonds (distance) C4'-P energy: -29.058
bonds (distance) P-C4' energy: -24.607
flat angles C4'-P-C4' energy: -30.460
flat angles P-C4'-P energy: -16.644
tors. eta vs tors. theta energy: -45.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -434.287504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.287504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.287504 (E_RNA)
where:
Base-Base interactions energy: -288.856
where: short stacking energy: -123.759
Base-Backbone interact. energy: -0.362
local terms energy: -145.069432
where:
bonds (distance) C4'-P energy: -30.118
bonds (distance) P-C4' energy: -26.465
flat angles C4'-P-C4' energy: -29.049
flat angles P-C4'-P energy: -22.079
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: 10
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -403.996202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.996202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.996202 (E_RNA)
where:
Base-Base interactions energy: -296.712
where: short stacking energy: -121.998
Base-Backbone interact. energy: -0.413
local terms energy: -106.871444
where:
bonds (distance) C4'-P energy: -16.683
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -27.672
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -34.091
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: 2
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -394.120237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.120237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.120237 (E_RNA)
where:
Base-Base interactions energy: -273.983
where: short stacking energy: -116.592
Base-Backbone interact. energy: -0.590
local terms energy: -119.547041
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -28.637
flat angles C4'-P-C4' energy: -33.205
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -31.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -213.352199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.352199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.352199 (E_RNA)
where:
Base-Base interactions energy: -131.395
where: short stacking energy: -76.395
Base-Backbone interact. energy: 1.597
local terms energy: -83.553703
where:
bonds (distance) C4'-P energy: -16.763
bonds (distance) P-C4' energy: -26.440
flat angles C4'-P-C4' energy: -25.498
flat angles P-C4'-P energy: -5.870
tors. eta vs tors. theta energy: -8.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -223.012772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.012772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.012772 (E_RNA)
where:
Base-Base interactions energy: -113.460
where: short stacking energy: -62.555
Base-Backbone interact. energy: -1.364
local terms energy: -108.188798
where:
bonds (distance) C4'-P energy: -28.134
bonds (distance) P-C4' energy: -28.293
flat angles C4'-P-C4' energy: -29.917
flat angles P-C4'-P energy: -17.840
tors. eta vs tors. theta energy: -4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -532.116764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.116764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.116764 (E_RNA)
where:
Base-Base interactions energy: -373.084
where: short stacking energy: -159.405
Base-Backbone interact. energy: -0.022
local terms energy: -159.011272
where:
bonds (distance) C4'-P energy: -30.106
bonds (distance) P-C4' energy: -31.607
flat angles C4'-P-C4' energy: -33.246
flat angles P-C4'-P energy: -18.715
tors. eta vs tors. theta energy: -45.337
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: 8
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -522.935337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.935337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.935337 (E_RNA)
where:
Base-Base interactions energy: -372.197
where: short stacking energy: -158.145
Base-Backbone interact. energy: -0.280
local terms energy: -150.457782
where:
bonds (distance) C4'-P energy: -20.825
bonds (distance) P-C4' energy: -28.643
flat angles C4'-P-C4' energy: -32.399
flat angles P-C4'-P energy: -21.518
tors. eta vs tors. theta energy: -47.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -521.784920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.784920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.784920 (E_RNA)
where:
Base-Base interactions energy: -370.899
where: short stacking energy: -147.715
Base-Backbone interact. energy: -0.121
local terms energy: -150.765206
where:
bonds (distance) C4'-P energy: -30.602
bonds (distance) P-C4' energy: -25.854
flat angles C4'-P-C4' energy: -26.602
flat angles P-C4'-P energy: -21.005
tors. eta vs tors. theta energy: -46.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -505.429840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.429840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.429840 (E_RNA)
where:
Base-Base interactions energy: -369.027
where: short stacking energy: -154.806
Base-Backbone interact. energy: -0.868
local terms energy: -135.533915
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -24.227
flat angles C4'-P-C4' energy: -25.795
flat angles P-C4'-P energy: -22.842
tors. eta vs tors. theta energy: -45.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -484.994070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.994070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.994070 (E_RNA)
where:
Base-Base interactions energy: -345.338
where: short stacking energy: -144.939
Base-Backbone interact. energy: 0.516
local terms energy: -140.172070
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -24.226
flat angles C4'-P-C4' energy: -33.149
flat angles P-C4'-P energy: -16.202
tors. eta vs tors. theta energy: -47.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -440.390367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.390367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.390367 (E_RNA)
where:
Base-Base interactions energy: -298.683
where: short stacking energy: -136.550
Base-Backbone interact. energy: -0.183
local terms energy: -141.524554
where:
bonds (distance) C4'-P energy: -30.827
bonds (distance) P-C4' energy: -22.601
flat angles C4'-P-C4' energy: -26.862
flat angles P-C4'-P energy: -18.034
tors. eta vs tors. theta energy: -43.201
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: 428
Temperature: 1.200000
Total energy: -404.233096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.233096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.233096 (E_RNA)
where:
Base-Base interactions energy: -279.905
where: short stacking energy: -118.903
Base-Backbone interact. energy: -0.196
local terms energy: -124.131455
where:
bonds (distance) C4'-P energy: -27.467
bonds (distance) P-C4' energy: -26.929
flat angles C4'-P-C4' energy: -25.281
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -31.924
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: 2
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -404.745076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.745076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.745076 (E_RNA)
where:
Base-Base interactions energy: -268.706
where: short stacking energy: -115.489
Base-Backbone interact. energy: -0.126
local terms energy: -135.913241
where:
bonds (distance) C4'-P energy: -27.003
bonds (distance) P-C4' energy: -24.276
flat angles C4'-P-C4' energy: -27.904
flat angles P-C4'-P energy: -19.663
tors. eta vs tors. theta energy: -37.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -218.596183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.596183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.596183 (E_RNA)
where:
Base-Base interactions energy: -128.951
where: short stacking energy: -62.027
Base-Backbone interact. energy: 0.881
local terms energy: -90.526102
where:
bonds (distance) C4'-P energy: -28.943
bonds (distance) P-C4' energy: -25.987
flat angles C4'-P-C4' energy: -22.267
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -5.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -126.407550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.407550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.407550 (E_RNA)
where:
Base-Base interactions energy: -45.320
where: short stacking energy: -34.606
Base-Backbone interact. energy: -0.204
local terms energy: -80.883595
where:
bonds (distance) C4'-P energy: -24.130
bonds (distance) P-C4' energy: -21.778
flat angles C4'-P-C4' energy: -27.162
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: 5.658
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: 1, replica: 6
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -526.849010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.849010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.849010 (E_RNA)
where:
Base-Base interactions energy: -374.871
where: short stacking energy: -157.674
Base-Backbone interact. energy: -0.181
local terms energy: -151.796889
where:
bonds (distance) C4'-P energy: -27.030
bonds (distance) P-C4' energy: -26.546
flat angles C4'-P-C4' energy: -30.860
flat angles P-C4'-P energy: -19.801
tors. eta vs tors. theta energy: -47.560
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: 429
Temperature: 0.950000
Total energy: -528.850828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.850828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.850828 (E_RNA)
where:
Base-Base interactions energy: -370.673
where: short stacking energy: -156.899
Base-Backbone interact. energy: -0.025
local terms energy: -158.152684
where:
bonds (distance) C4'-P energy: -25.675
bonds (distance) P-C4' energy: -27.319
flat angles C4'-P-C4' energy: -34.683
flat angles P-C4'-P energy: -19.759
tors. eta vs tors. theta energy: -50.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -521.867853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.867853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.867853 (E_RNA)
where:
Base-Base interactions energy: -367.943
where: short stacking energy: -161.847
Base-Backbone interact. energy: -0.007
local terms energy: -153.917980
where:
bonds (distance) C4'-P energy: -29.079
bonds (distance) P-C4' energy: -25.431
flat angles C4'-P-C4' energy: -28.736
flat angles P-C4'-P energy: -23.928
tors. eta vs tors. theta energy: -46.744
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: 4, replica: 7
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -513.490104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.490104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.490104 (E_RNA)
where:
Base-Base interactions energy: -365.760
where: short stacking energy: -150.774
Base-Backbone interact. energy: -0.007
local terms energy: -147.722898
where:
bonds (distance) C4'-P energy: -24.291
bonds (distance) P-C4' energy: -27.522
flat angles C4'-P-C4' energy: -31.335
flat angles P-C4'-P energy: -20.714
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: 5, replica: 4
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -498.713898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.713898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.713898 (E_RNA)
where:
Base-Base interactions energy: -354.112
where: short stacking energy: -155.504
Base-Backbone interact. energy: -0.775
local terms energy: -143.826631
where:
bonds (distance) C4'-P energy: -24.849
bonds (distance) P-C4' energy: -23.620
flat angles C4'-P-C4' energy: -29.057
flat angles P-C4'-P energy: -21.137
tors. eta vs tors. theta energy: -45.163
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: 3
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -435.902908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.902908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.902908 (E_RNA)
where:
Base-Base interactions energy: -288.875
where: short stacking energy: -123.690
Base-Backbone interact. energy: -1.259
local terms energy: -145.769578
where:
bonds (distance) C4'-P energy: -26.019
bonds (distance) P-C4' energy: -27.931
flat angles C4'-P-C4' energy: -29.543
flat angles P-C4'-P energy: -24.507
tors. eta vs tors. theta energy: -37.768
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: 7, replica: 10
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -417.327598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.327598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.327598 (E_RNA)
where:
Base-Base interactions energy: -285.259
where: short stacking energy: -116.509
Base-Backbone interact. energy: -0.017
local terms energy: -132.052232
where:
bonds (distance) C4'-P energy: -30.942
bonds (distance) P-C4' energy: -27.165
flat angles C4'-P-C4' energy: -26.367
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -37.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -398.903785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.903785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.903785 (E_RNA)
where:
Base-Base interactions energy: -268.143
where: short stacking energy: -115.174
Base-Backbone interact. energy: -0.327
local terms energy: -130.433862
where:
bonds (distance) C4'-P energy: -24.379
bonds (distance) P-C4' energy: -25.048
flat angles C4'-P-C4' energy: -28.900
flat angles P-C4'-P energy: -17.486
tors. eta vs tors. theta energy: -34.622
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: 9, replica: 5
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -196.043760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.043760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.043760 (E_RNA)
where:
Base-Base interactions energy: -99.686
where: short stacking energy: -62.484
Base-Backbone interact. energy: -0.510
local terms energy: -95.847776
where:
bonds (distance) C4'-P energy: -22.529
bonds (distance) P-C4' energy: -28.266
flat angles C4'-P-C4' energy: -27.279
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -3.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -156.953801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.953801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.953801 (E_RNA)
where:
Base-Base interactions energy: -72.602
where: short stacking energy: -38.482
Base-Backbone interact. energy: -0.952
local terms energy: -83.399990
where:
bonds (distance) C4'-P energy: -22.403
bonds (distance) P-C4' energy: -24.332
flat angles C4'-P-C4' energy: -23.837
flat angles P-C4'-P energy: -14.137
tors. eta vs tors. theta energy: 1.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -536.451613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.451613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.451613 (E_RNA)
where:
Base-Base interactions energy: -378.382
where: short stacking energy: -156.079
Base-Backbone interact. energy: -0.525
local terms energy: -157.543902
where:
bonds (distance) C4'-P energy: -26.299
bonds (distance) P-C4' energy: -30.751
flat angles C4'-P-C4' energy: -31.210
flat angles P-C4'-P energy: -24.173
tors. eta vs tors. theta energy: -45.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -526.991818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.991818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.991818 (E_RNA)
where:
Base-Base interactions energy: -380.215
where: short stacking energy: -156.448
Base-Backbone interact. energy: -0.157
local terms energy: -146.619885
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -29.240
flat angles C4'-P-C4' energy: -29.049
flat angles P-C4'-P energy: -22.802
tors. eta vs tors. theta energy: -46.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -529.477520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.477520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.477520 (E_RNA)
where:
Base-Base interactions energy: -373.804
where: short stacking energy: -159.115
Base-Backbone interact. energy: -0.045
local terms energy: -155.628550
where:
bonds (distance) C4'-P energy: -29.249
bonds (distance) P-C4' energy: -27.340
flat angles C4'-P-C4' energy: -32.453
flat angles P-C4'-P energy: -22.491
tors. eta vs tors. theta energy: -44.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -505.917329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.917329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.917329 (E_RNA)
where:
Base-Base interactions energy: -362.815
where: short stacking energy: -143.863
Base-Backbone interact. energy: -0.099
local terms energy: -143.003209
where:
bonds (distance) C4'-P energy: -25.399
bonds (distance) P-C4' energy: -26.890
flat angles C4'-P-C4' energy: -30.116
flat angles P-C4'-P energy: -16.340
tors. eta vs tors. theta energy: -44.260
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: 4
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -505.461686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.461686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.461686 (E_RNA)
where:
Base-Base interactions energy: -359.524
where: short stacking energy: -146.692
Base-Backbone interact. energy: -0.438
local terms energy: -145.500453
where:
bonds (distance) C4'-P energy: -27.334
bonds (distance) P-C4' energy: -27.199
flat angles C4'-P-C4' energy: -29.475
flat angles P-C4'-P energy: -17.029
tors. eta vs tors. theta energy: -44.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -433.969705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.969705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.969705 (E_RNA)
where:
Base-Base interactions energy: -299.291
where: short stacking energy: -124.003
Base-Backbone interact. energy: -1.384
local terms energy: -133.295110
where:
bonds (distance) C4'-P energy: -25.184
bonds (distance) P-C4' energy: -29.458
flat angles C4'-P-C4' energy: -28.241
flat angles P-C4'-P energy: -20.487
tors. eta vs tors. theta energy: -29.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -417.338717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.338717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.338717 (E_RNA)
where:
Base-Base interactions energy: -288.121
where: short stacking energy: -132.884
Base-Backbone interact. energy: -0.093
local terms energy: -129.124732
where:
bonds (distance) C4'-P energy: -28.465
bonds (distance) P-C4' energy: -21.305
flat angles C4'-P-C4' energy: -25.441
flat angles P-C4'-P energy: -17.906
tors. eta vs tors. theta energy: -36.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -396.373107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.373107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.373107 (E_RNA)
where:
Base-Base interactions energy: -282.414
where: short stacking energy: -119.521
Base-Backbone interact. energy: -0.515
local terms energy: -113.444483
where:
bonds (distance) C4'-P energy: -19.027
bonds (distance) P-C4' energy: -16.602
flat angles C4'-P-C4' energy: -29.219
flat angles P-C4'-P energy: -18.422
tors. eta vs tors. theta energy: -30.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -150.986961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.986961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.986961 (E_RNA)
where:
Base-Base interactions energy: -63.422
where: short stacking energy: -56.093
Base-Backbone interact. energy: -0.624
local terms energy: -86.940822
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -24.369
flat angles C4'-P-C4' energy: -27.999
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -6.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -196.709475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.709475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.709475 (E_RNA)
where:
Base-Base interactions energy: -105.793
where: short stacking energy: -64.451
Base-Backbone interact. energy: -0.542
local terms energy: -90.374186
where:
bonds (distance) C4'-P energy: -22.355
bonds (distance) P-C4' energy: -23.550
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -17.794
tors. eta vs tors. theta energy: -12.874
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: 6
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -533.904170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.904170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.904170 (E_RNA)
where:
Base-Base interactions energy: -378.130
where: short stacking energy: -159.108
Base-Backbone interact. energy: -0.518
local terms energy: -155.256419
where:
bonds (distance) C4'-P energy: -28.269
bonds (distance) P-C4' energy: -30.065
flat angles C4'-P-C4' energy: -31.392
flat angles P-C4'-P energy: -18.162
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: 7
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -524.338274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.338274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.338274 (E_RNA)
where:
Base-Base interactions energy: -373.478
where: short stacking energy: -151.404
Base-Backbone interact. energy: -0.163
local terms energy: -150.697576
where:
bonds (distance) C4'-P energy: -31.161
bonds (distance) P-C4' energy: -27.288
flat angles C4'-P-C4' energy: -27.336
flat angles P-C4'-P energy: -20.517
tors. eta vs tors. theta energy: -44.395
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: 8
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -527.137587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.137587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.137587 (E_RNA)
where:
Base-Base interactions energy: -370.239
where: short stacking energy: -146.762
Base-Backbone interact. energy: -0.030
local terms energy: -156.869129
where:
bonds (distance) C4'-P energy: -33.075
bonds (distance) P-C4' energy: -28.950
flat angles C4'-P-C4' energy: -32.412
flat angles P-C4'-P energy: -14.921
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: 431
Temperature: 1.050000
Total energy: -509.186959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.186959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.186959 (E_RNA)
where:
Base-Base interactions energy: -359.041
where: short stacking energy: -145.063
Base-Backbone interact. energy: -0.559
local terms energy: -149.586620
where:
bonds (distance) C4'-P energy: -30.044
bonds (distance) P-C4' energy: -27.891
flat angles C4'-P-C4' energy: -32.147
flat angles P-C4'-P energy: -18.769
tors. eta vs tors. theta energy: -40.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -500.268814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.268814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.268814 (E_RNA)
where:
Base-Base interactions energy: -355.273
where: short stacking energy: -142.066
Base-Backbone interact. energy: -0.083
local terms energy: -144.912772
where:
bonds (distance) C4'-P energy: -25.977
bonds (distance) P-C4' energy: -24.595
flat angles C4'-P-C4' energy: -31.887
flat angles P-C4'-P energy: -21.315
tors. eta vs tors. theta energy: -41.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -446.456454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.456454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.456454 (E_RNA)
where:
Base-Base interactions energy: -314.451
where: short stacking energy: -136.180
Base-Backbone interact. energy: 0.789
local terms energy: -132.794348
where:
bonds (distance) C4'-P energy: -26.230
bonds (distance) P-C4' energy: -24.255
flat angles C4'-P-C4' energy: -22.298
flat angles P-C4'-P energy: -20.344
tors. eta vs tors. theta energy: -39.668
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: 3
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -436.008879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.008879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.008879 (E_RNA)
where:
Base-Base interactions energy: -292.734
where: short stacking energy: -126.352
Base-Backbone interact. energy: -0.292
local terms energy: -142.983316
where:
bonds (distance) C4'-P energy: -25.337
bonds (distance) P-C4' energy: -26.537
flat angles C4'-P-C4' energy: -31.552
flat angles P-C4'-P energy: -19.931
tors. eta vs tors. theta energy: -39.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -403.103968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.103968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.103968 (E_RNA)
where:
Base-Base interactions energy: -281.655
where: short stacking energy: -114.860
Base-Backbone interact. energy: -1.460
local terms energy: -119.989629
where:
bonds (distance) C4'-P energy: -18.578
bonds (distance) P-C4' energy: -25.032
flat angles C4'-P-C4' energy: -28.235
flat angles P-C4'-P energy: -19.612
tors. eta vs tors. theta energy: -28.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -164.711553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.711553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.711553 (E_RNA)
where:
Base-Base interactions energy: -61.915
where: short stacking energy: -55.843
Base-Backbone interact. energy: -0.387
local terms energy: -102.409813
where:
bonds (distance) C4'-P energy: -25.669
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -26.794
flat angles P-C4'-P energy: -20.061
tors. eta vs tors. theta energy: -11.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -207.140602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.140602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.140602 (E_RNA)
where:
Base-Base interactions energy: -115.305
where: short stacking energy: -63.040
Base-Backbone interact. energy: 2.581
local terms energy: -94.417222
where:
bonds (distance) C4'-P energy: -24.506
bonds (distance) P-C4' energy: -27.286
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -13.387
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: 1, replica: 6
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -537.977070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.977070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.977070 (E_RNA)
where:
Base-Base interactions energy: -376.738
where: short stacking energy: -150.733
Base-Backbone interact. energy: -0.596
local terms energy: -160.643840
where:
bonds (distance) C4'-P energy: -29.286
bonds (distance) P-C4' energy: -30.631
flat angles C4'-P-C4' energy: -31.701
flat angles P-C4'-P energy: -21.365
tors. eta vs tors. theta energy: -47.661
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: 7
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -529.004054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.004054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.004054 (E_RNA)
where:
Base-Base interactions energy: -379.407
where: short stacking energy: -155.072
Base-Backbone interact. energy: 0.998
local terms energy: -150.595189
where:
bonds (distance) C4'-P energy: -25.589
bonds (distance) P-C4' energy: -23.306
flat angles C4'-P-C4' energy: -33.411
flat angles P-C4'-P energy: -21.783
tors. eta vs tors. theta energy: -46.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -520.217166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.217166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.217166 (E_RNA)
where:
Base-Base interactions energy: -368.600
where: short stacking energy: -146.847
Base-Backbone interact. energy: -0.023
local terms energy: -151.593443
where:
bonds (distance) C4'-P energy: -26.170
bonds (distance) P-C4' energy: -23.011
flat angles C4'-P-C4' energy: -30.430
flat angles P-C4'-P energy: -25.681
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: 4, replica: 8
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -514.083382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.083382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.083382 (E_RNA)
where:
Base-Base interactions energy: -369.464
where: short stacking energy: -162.022
Base-Backbone interact. energy: -0.093
local terms energy: -144.526517
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -27.519
flat angles C4'-P-C4' energy: -27.469
flat angles P-C4'-P energy: -21.486
tors. eta vs tors. theta energy: -47.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -498.492097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.492097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.492097 (E_RNA)
where:
Base-Base interactions energy: -352.095
where: short stacking energy: -142.837
Base-Backbone interact. energy: -0.059
local terms energy: -146.337935
where:
bonds (distance) C4'-P energy: -27.911
bonds (distance) P-C4' energy: -24.715
flat angles C4'-P-C4' energy: -30.313
flat angles P-C4'-P energy: -20.064
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: 6, replica: 2
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -428.337971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.337971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.337971 (E_RNA)
where:
Base-Base interactions energy: -305.936
where: short stacking energy: -135.346
Base-Backbone interact. energy: -0.184
local terms energy: -122.217448
where:
bonds (distance) C4'-P energy: -22.275
bonds (distance) P-C4' energy: -22.998
flat angles C4'-P-C4' energy: -26.007
flat angles P-C4'-P energy: -16.950
tors. eta vs tors. theta energy: -33.988
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: 7, replica: 3
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -419.005495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.005495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.005495 (E_RNA)
where:
Base-Base interactions energy: -292.697
where: short stacking energy: -134.246
Base-Backbone interact. energy: 0.447
local terms energy: -126.754812
where:
bonds (distance) C4'-P energy: -22.866
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -32.255
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -38.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -341.367994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.367994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.367994 (E_RNA)
where:
Base-Base interactions energy: -226.625
where: short stacking energy: -90.819
Base-Backbone interact. energy: -0.422
local terms energy: -114.321555
where:
bonds (distance) C4'-P energy: -23.850
bonds (distance) P-C4' energy: -30.708
flat angles C4'-P-C4' energy: -25.921
flat angles P-C4'-P energy: -19.102
tors. eta vs tors. theta energy: -14.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -156.826219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.826219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.826219 (E_RNA)
where:
Base-Base interactions energy: -69.329
where: short stacking energy: -39.763
Base-Backbone interact. energy: -0.180
local terms energy: -87.318051
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -23.004
flat angles C4'-P-C4' energy: -25.700
flat angles P-C4'-P energy: -21.172
tors. eta vs tors. theta energy: -3.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -203.802586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.802586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.802586 (E_RNA)
where:
Base-Base interactions energy: -116.434
where: short stacking energy: -64.238
Base-Backbone interact. energy: 3.229
local terms energy: -90.597595
where:
bonds (distance) C4'-P energy: -25.437
bonds (distance) P-C4' energy: -20.804
flat angles C4'-P-C4' energy: -23.655
flat angles P-C4'-P energy: -18.841
tors. eta vs tors. theta energy: -1.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -538.403169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.403169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.403169 (E_RNA)
where:
Base-Base interactions energy: -381.107
where: short stacking energy: -153.148
Base-Backbone interact. energy: -0.049
local terms energy: -157.247366
where:
bonds (distance) C4'-P energy: -28.469
bonds (distance) P-C4' energy: -30.207
flat angles C4'-P-C4' energy: -32.852
flat angles P-C4'-P energy: -20.687
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: 2, replica: 7
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -527.841311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.841311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.841311 (E_RNA)
where:
Base-Base interactions energy: -373.287
where: short stacking energy: -162.239
Base-Backbone interact. energy: -0.676
local terms energy: -153.878271
where:
bonds (distance) C4'-P energy: -24.378
bonds (distance) P-C4' energy: -27.819
flat angles C4'-P-C4' energy: -30.747
flat angles P-C4'-P energy: -24.502
tors. eta vs tors. theta energy: -46.433
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: 433
Temperature: 1.000000
Total energy: -508.494082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.494082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.494082 (E_RNA)
where:
Base-Base interactions energy: -358.868
where: short stacking energy: -135.779
Base-Backbone interact. energy: -0.603
local terms energy: -149.022175
where:
bonds (distance) C4'-P energy: -30.893
bonds (distance) P-C4' energy: -23.103
flat angles C4'-P-C4' energy: -32.088
flat angles P-C4'-P energy: -23.861
tors. eta vs tors. theta energy: -39.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -508.224015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.224015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.224015 (E_RNA)
where:
Base-Base interactions energy: -361.898
where: short stacking energy: -158.483
Base-Backbone interact. energy: -0.658
local terms energy: -145.667851
where:
bonds (distance) C4'-P energy: -21.030
bonds (distance) P-C4' energy: -27.160
flat angles C4'-P-C4' energy: -30.141
flat angles P-C4'-P energy: -21.551
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: 433
Temperature: 1.100000
Total energy: -489.335015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.335015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.335015 (E_RNA)
where:
Base-Base interactions energy: -342.510
where: short stacking energy: -148.074
Base-Backbone interact. energy: -1.390
local terms energy: -145.435510
where:
bonds (distance) C4'-P energy: -23.349
bonds (distance) P-C4' energy: -26.414
flat angles C4'-P-C4' energy: -32.155
flat angles P-C4'-P energy: -21.239
tors. eta vs tors. theta energy: -42.279
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: 6, replica: 3
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -432.735837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.735837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.735837 (E_RNA)
where:
Base-Base interactions energy: -283.518
where: short stacking energy: -134.453
Base-Backbone interact. energy: 0.930
local terms energy: -150.147701
where:
bonds (distance) C4'-P energy: -29.116
bonds (distance) P-C4' energy: -22.772
flat angles C4'-P-C4' energy: -33.130
flat angles P-C4'-P energy: -23.288
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: 2
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -444.375404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.375404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.375404 (E_RNA)
where:
Base-Base interactions energy: -310.025
where: short stacking energy: -134.594
Base-Backbone interact. energy: -0.748
local terms energy: -133.602814
where:
bonds (distance) C4'-P energy: -25.376
bonds (distance) P-C4' energy: -19.885
flat angles C4'-P-C4' energy: -26.688
flat angles P-C4'-P energy: -23.308
tors. eta vs tors. theta energy: -38.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -329.259364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.259364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.259364 (E_RNA)
where:
Base-Base interactions energy: -208.992
where: short stacking energy: -99.339
Base-Backbone interact. energy: -0.175
local terms energy: -120.092624
where:
bonds (distance) C4'-P energy: -26.799
bonds (distance) P-C4' energy: -27.335
flat angles C4'-P-C4' energy: -21.778
flat angles P-C4'-P energy: -16.211
tors. eta vs tors. theta energy: -27.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -146.978177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.978177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.978177 (E_RNA)
where:
Base-Base interactions energy: -56.495
where: short stacking energy: -52.207
Base-Backbone interact. energy: -0.518
local terms energy: -89.965672
where:
bonds (distance) C4'-P energy: -27.056
bonds (distance) P-C4' energy: -27.594
flat angles C4'-P-C4' energy: -19.048
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -1.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -202.949599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.949599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.949599 (E_RNA)
where:
Base-Base interactions energy: -114.550
where: short stacking energy: -59.222
Base-Backbone interact. energy: -0.304
local terms energy: -88.095756
where:
bonds (distance) C4'-P energy: -22.547
bonds (distance) P-C4' energy: -18.811
flat angles C4'-P-C4' energy: -24.879
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -10.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -536.942818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.942818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.942818 (E_RNA)
where:
Base-Base interactions energy: -383.360
where: short stacking energy: -158.526
Base-Backbone interact. energy: 0.077
local terms energy: -153.659484
where:
bonds (distance) C4'-P energy: -25.409
bonds (distance) P-C4' energy: -27.239
flat angles C4'-P-C4' energy: -29.302
flat angles P-C4'-P energy: -23.306
tors. eta vs tors. theta energy: -48.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -529.455329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.455329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.455329 (E_RNA)
where:
Base-Base interactions energy: -370.222
where: short stacking energy: -153.274
Base-Backbone interact. energy: -0.153
local terms energy: -159.080726
where:
bonds (distance) C4'-P energy: -28.291
bonds (distance) P-C4' energy: -29.594
flat angles C4'-P-C4' energy: -33.211
flat angles P-C4'-P energy: -22.275
tors. eta vs tors. theta energy: -45.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -520.888332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.888332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.888332 (E_RNA)
where:
Base-Base interactions energy: -371.169
where: short stacking energy: -151.213
Base-Backbone interact. energy: -0.740
local terms energy: -148.979303
where:
bonds (distance) C4'-P energy: -23.975
bonds (distance) P-C4' energy: -22.730
flat angles C4'-P-C4' energy: -32.976
flat angles P-C4'-P energy: -22.888
tors. eta vs tors. theta energy: -46.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -490.630756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.630756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.630756 (E_RNA)
where:
Base-Base interactions energy: -342.322
where: short stacking energy: -139.579
Base-Backbone interact. energy: -0.006
local terms energy: -148.302356
where:
bonds (distance) C4'-P energy: -29.389
bonds (distance) P-C4' energy: -27.063
flat angles C4'-P-C4' energy: -26.446
flat angles P-C4'-P energy: -20.263
tors. eta vs tors. theta energy: -45.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -472.618234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.618234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.618234 (E_RNA)
where:
Base-Base interactions energy: -330.513
where: short stacking energy: -140.232
Base-Backbone interact. energy: -0.164
local terms energy: -141.941089
where:
bonds (distance) C4'-P energy: -21.987
bonds (distance) P-C4' energy: -29.901
flat angles C4'-P-C4' energy: -26.425
flat angles P-C4'-P energy: -24.137
tors. eta vs tors. theta energy: -39.492
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: 3
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -422.341267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.341267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.341267 (E_RNA)
where:
Base-Base interactions energy: -294.803
where: short stacking energy: -128.077
Base-Backbone interact. energy: -0.257
local terms energy: -127.281527
where:
bonds (distance) C4'-P energy: -22.189
bonds (distance) P-C4' energy: -29.818
flat angles C4'-P-C4' energy: -27.691
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -35.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -434.645431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.645431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.645431 (E_RNA)
where:
Base-Base interactions energy: -296.470
where: short stacking energy: -135.474
Base-Backbone interact. energy: -0.048
local terms energy: -138.127167
where:
bonds (distance) C4'-P energy: -25.438
bonds (distance) P-C4' energy: -29.358
flat angles C4'-P-C4' energy: -27.234
flat angles P-C4'-P energy: -19.673
tors. eta vs tors. theta energy: -36.424
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: 10
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -322.855178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.855178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.855178 (E_RNA)
where:
Base-Base interactions energy: -207.572
where: short stacking energy: -93.970
Base-Backbone interact. energy: -0.341
local terms energy: -114.942339
where:
bonds (distance) C4'-P energy: -27.234
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -27.557
flat angles P-C4'-P energy: -17.237
tors. eta vs tors. theta energy: -25.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -213.535605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.535605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.535605 (E_RNA)
where:
Base-Base interactions energy: -119.185
where: short stacking energy: -64.950
Base-Backbone interact. energy: 0.738
local terms energy: -95.088249
where:
bonds (distance) C4'-P energy: -26.937
bonds (distance) P-C4' energy: -21.715
flat angles C4'-P-C4' energy: -22.522
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -10.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -131.538068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.538068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.538068 (E_RNA)
where:
Base-Base interactions energy: -49.547
where: short stacking energy: -43.817
Base-Backbone interact. energy: -1.486
local terms energy: -80.504746
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -29.648
flat angles C4'-P-C4' energy: -23.731
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: 5.200
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: 1, replica: 6
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -535.446595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.446595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.446595 (E_RNA)
where:
Base-Base interactions energy: -373.053
where: short stacking energy: -152.433
Base-Backbone interact. energy: -0.448
local terms energy: -161.945370
where:
bonds (distance) C4'-P energy: -28.672
bonds (distance) P-C4' energy: -30.062
flat angles C4'-P-C4' energy: -29.541
flat angles P-C4'-P energy: -27.670
tors. eta vs tors. theta energy: -46.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -530.849506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.849506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.849506 (E_RNA)
where:
Base-Base interactions energy: -376.843
where: short stacking energy: -159.879
Base-Backbone interact. energy: -0.705
local terms energy: -153.301707
where:
bonds (distance) C4'-P energy: -25.035
bonds (distance) P-C4' energy: -27.967
flat angles C4'-P-C4' energy: -29.119
flat angles P-C4'-P energy: -21.759
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: 9
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -516.482881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.482881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.482881 (E_RNA)
where:
Base-Base interactions energy: -373.601
where: short stacking energy: -144.931
Base-Backbone interact. energy: -0.145
local terms energy: -142.736837
where:
bonds (distance) C4'-P energy: -22.627
bonds (distance) P-C4' energy: -23.390
flat angles C4'-P-C4' energy: -31.095
flat angles P-C4'-P energy: -22.047
tors. eta vs tors. theta energy: -43.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -490.317379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.317379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.317379 (E_RNA)
where:
Base-Base interactions energy: -341.344
where: short stacking energy: -150.028
Base-Backbone interact. energy: -1.216
local terms energy: -147.756979
where:
bonds (distance) C4'-P energy: -25.709
bonds (distance) P-C4' energy: -31.689
flat angles C4'-P-C4' energy: -26.239
flat angles P-C4'-P energy: -19.041
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: 5, replica: 8
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -492.307298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.307298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.307298 (E_RNA)
where:
Base-Base interactions energy: -347.977
where: short stacking energy: -147.325
Base-Backbone interact. energy: -1.004
local terms energy: -143.325526
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -28.774
flat angles C4'-P-C4' energy: -30.310
flat angles P-C4'-P energy: -26.254
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: 6, replica: 2
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -462.197995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.197995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.197995 (E_RNA)
where:
Base-Base interactions energy: -309.586
where: short stacking energy: -135.949
Base-Backbone interact. energy: 0.967
local terms energy: -153.579416
where:
bonds (distance) C4'-P energy: -24.522
bonds (distance) P-C4' energy: -31.802
flat angles C4'-P-C4' energy: -33.555
flat angles P-C4'-P energy: -18.971
tors. eta vs tors. theta energy: -44.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -417.707012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.707012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.707012 (E_RNA)
where:
Base-Base interactions energy: -285.727
where: short stacking energy: -130.702
Base-Backbone interact. energy: -0.014
local terms energy: -131.965481
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -28.115
flat angles P-C4'-P energy: -23.190
tors. eta vs tors. theta energy: -44.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -336.990367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.990367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.990367 (E_RNA)
where:
Base-Base interactions energy: -213.569
where: short stacking energy: -91.070
Base-Backbone interact. energy: -0.249
local terms energy: -123.173252
where:
bonds (distance) C4'-P energy: -24.791
bonds (distance) P-C4' energy: -24.932
flat angles C4'-P-C4' energy: -23.346
flat angles P-C4'-P energy: -18.897
tors. eta vs tors. theta energy: -31.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -226.182258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.182258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.182258 (E_RNA)
where:
Base-Base interactions energy: -130.591
where: short stacking energy: -70.646
Base-Backbone interact. energy: -0.137
local terms energy: -95.454613
where:
bonds (distance) C4'-P energy: -23.572
bonds (distance) P-C4' energy: -25.506
flat angles C4'-P-C4' energy: -21.035
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -14.536
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: 1
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -141.249253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.249253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.249253 (E_RNA)
where:
Base-Base interactions energy: -52.570
where: short stacking energy: -45.964
Base-Backbone interact. energy: -0.234
local terms energy: -88.445513
where:
bonds (distance) C4'-P energy: -18.868
bonds (distance) P-C4' energy: -25.506
flat angles C4'-P-C4' energy: -23.323
flat angles P-C4'-P energy: -16.868
tors. eta vs tors. theta energy: -3.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -530.463147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.463147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.463147 (E_RNA)
where:
Base-Base interactions energy: -369.343
where: short stacking energy: -155.880
Base-Backbone interact. energy: -0.588
local terms energy: -160.531618
where:
bonds (distance) C4'-P energy: -28.429
bonds (distance) P-C4' energy: -27.175
flat angles C4'-P-C4' energy: -33.112
flat angles P-C4'-P energy: -26.928
tors. eta vs tors. theta energy: -44.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -529.088938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.088938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.088938 (E_RNA)
where:
Base-Base interactions energy: -368.295
where: short stacking energy: -157.607
Base-Backbone interact. energy: -0.036
local terms energy: -160.757239
where:
bonds (distance) C4'-P energy: -27.047
bonds (distance) P-C4' energy: -32.357
flat angles C4'-P-C4' energy: -32.705
flat angles P-C4'-P energy: -19.555
tors. eta vs tors. theta energy: -49.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -517.012965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.012965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.012965 (E_RNA)
where:
Base-Base interactions energy: -361.514
where: short stacking energy: -155.139
Base-Backbone interact. energy: -0.136
local terms energy: -155.363042
where:
bonds (distance) C4'-P energy: -30.825
bonds (distance) P-C4' energy: -25.657
flat angles C4'-P-C4' energy: -32.956
flat angles P-C4'-P energy: -17.981
tors. eta vs tors. theta energy: -47.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -511.354078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.354078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.354078 (E_RNA)
where:
Base-Base interactions energy: -368.256
where: short stacking energy: -147.835
Base-Backbone interact. energy: -0.371
local terms energy: -142.727613
where:
bonds (distance) C4'-P energy: -26.483
bonds (distance) P-C4' energy: -23.984
flat angles C4'-P-C4' energy: -29.521
flat angles P-C4'-P energy: -18.437
tors. eta vs tors. theta energy: -44.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -447.622862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.622862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.622862 (E_RNA)
where:
Base-Base interactions energy: -298.342
where: short stacking energy: -136.900
Base-Backbone interact. energy: -0.014
local terms energy: -149.267539
where:
bonds (distance) C4'-P energy: -24.319
bonds (distance) P-C4' energy: -27.167
flat angles C4'-P-C4' energy: -29.618
flat angles P-C4'-P energy: -24.309
tors. eta vs tors. theta energy: -43.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -491.619598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.619598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.619598 (E_RNA)
where:
Base-Base interactions energy: -346.883
where: short stacking energy: -142.654
Base-Backbone interact. energy: -0.363
local terms energy: -144.373456
where:
bonds (distance) C4'-P energy: -27.125
bonds (distance) P-C4' energy: -23.689
flat angles C4'-P-C4' energy: -29.100
flat angles P-C4'-P energy: -21.211
tors. eta vs tors. theta energy: -43.248
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: 3
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -424.300479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.300479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.300479 (E_RNA)
where:
Base-Base interactions energy: -284.818
where: short stacking energy: -123.426
Base-Backbone interact. energy: -0.349
local terms energy: -139.132594
where:
bonds (distance) C4'-P energy: -26.096
bonds (distance) P-C4' energy: -26.808
flat angles C4'-P-C4' energy: -29.624
flat angles P-C4'-P energy: -19.568
tors. eta vs tors. theta energy: -37.037
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: 10
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -319.420903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.420903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.420903 (E_RNA)
where:
Base-Base interactions energy: -207.516
where: short stacking energy: -88.146
Base-Backbone interact. energy: -0.713
local terms energy: -111.192605
where:
bonds (distance) C4'-P energy: -21.089
bonds (distance) P-C4' energy: -26.611
flat angles C4'-P-C4' energy: -25.341
flat angles P-C4'-P energy: -16.400
tors. eta vs tors. theta energy: -21.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -206.744141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.744141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.744141 (E_RNA)
where:
Base-Base interactions energy: -96.690
where: short stacking energy: -60.944
Base-Backbone interact. energy: -0.263
local terms energy: -109.790500
where:
bonds (distance) C4'-P energy: -29.123
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -29.736
flat angles P-C4'-P energy: -22.960
tors. eta vs tors. theta energy: -11.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -134.001714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.001714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.001714 (E_RNA)
where:
Base-Base interactions energy: -53.823
where: short stacking energy: -53.823
Base-Backbone interact. energy: -0.527
local terms energy: -79.651914
where:
bonds (distance) C4'-P energy: -24.868
bonds (distance) P-C4' energy: -23.934
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -3.281
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: 6
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -539.251026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.251026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.251026 (E_RNA)
where:
Base-Base interactions energy: -382.826
where: short stacking energy: -164.053
Base-Backbone interact. energy: -0.215
local terms energy: -156.209256
where:
bonds (distance) C4'-P energy: -20.619
bonds (distance) P-C4' energy: -30.861
flat angles C4'-P-C4' energy: -30.375
flat angles P-C4'-P energy: -24.670
tors. eta vs tors. theta energy: -49.684
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: 2, replica: 7
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -524.589735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.589735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.589735 (E_RNA)
where:
Base-Base interactions energy: -366.115
where: short stacking energy: -154.757
Base-Backbone interact. energy: -0.244
local terms energy: -158.230406
where:
bonds (distance) C4'-P energy: -26.375
bonds (distance) P-C4' energy: -31.399
flat angles C4'-P-C4' energy: -30.242
flat angles P-C4'-P energy: -24.473
tors. eta vs tors. theta energy: -45.741
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: 3, replica: 4
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -508.841652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.841652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.841652 (E_RNA)
where:
Base-Base interactions energy: -358.588
where: short stacking energy: -150.502
Base-Backbone interact. energy: -0.081
local terms energy: -150.171997
where:
bonds (distance) C4'-P energy: -28.447
bonds (distance) P-C4' energy: -26.624
flat angles C4'-P-C4' energy: -31.731
flat angles P-C4'-P energy: -16.739
tors. eta vs tors. theta energy: -46.631
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: 4, replica: 9
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -518.720814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.720814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.720814 (E_RNA)
where:
Base-Base interactions energy: -366.476
where: short stacking energy: -156.900
Base-Backbone interact. energy: -0.687
local terms energy: -151.558005
where:
bonds (distance) C4'-P energy: -21.887
bonds (distance) P-C4' energy: -27.289
flat angles C4'-P-C4' energy: -32.993
flat angles P-C4'-P energy: -21.281
tors. eta vs tors. theta energy: -48.108
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: 437
Temperature: 1.100000
Total energy: -462.487423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.487423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.487423 (E_RNA)
where:
Base-Base interactions energy: -331.595
where: short stacking energy: -146.019
Base-Backbone interact. energy: -1.077
local terms energy: -129.815680
where:
bonds (distance) C4'-P energy: -21.341
bonds (distance) P-C4' energy: -23.849
flat angles C4'-P-C4' energy: -31.099
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -41.850
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: 8
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -497.985563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.985563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.985563 (E_RNA)
where:
Base-Base interactions energy: -348.441
where: short stacking energy: -143.569
Base-Backbone interact. energy: -0.070
local terms energy: -149.474977
where:
bonds (distance) C4'-P energy: -27.697
bonds (distance) P-C4' energy: -32.563
flat angles C4'-P-C4' energy: -23.614
flat angles P-C4'-P energy: -17.495
tors. eta vs tors. theta energy: -48.106
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: 3
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -410.026606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.026606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.026606 (E_RNA)
where:
Base-Base interactions energy: -276.853
where: short stacking energy: -120.993
Base-Backbone interact. energy: -0.513
local terms energy: -132.660635
where:
bonds (distance) C4'-P energy: -28.665
bonds (distance) P-C4' energy: -30.797
flat angles C4'-P-C4' energy: -24.629
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: -34.394
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: 10
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -336.868487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.868487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.868487 (E_RNA)
where:
Base-Base interactions energy: -220.819
where: short stacking energy: -98.187
Base-Backbone interact. energy: -0.480
local terms energy: -115.569746
where:
bonds (distance) C4'-P energy: -27.245
bonds (distance) P-C4' energy: -23.372
flat angles C4'-P-C4' energy: -19.587
flat angles P-C4'-P energy: -17.191
tors. eta vs tors. theta energy: -28.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -199.224431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.224431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.224431 (E_RNA)
where:
Base-Base interactions energy: -106.739
where: short stacking energy: -52.063
Base-Backbone interact. energy: -0.385
local terms energy: -92.100402
where:
bonds (distance) C4'-P energy: -22.561
bonds (distance) P-C4' energy: -26.325
flat angles C4'-P-C4' energy: -18.925
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -12.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -133.079728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.079728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.079728 (E_RNA)
where:
Base-Base interactions energy: -43.880
where: short stacking energy: -31.511
Base-Backbone interact. energy: -1.292
local terms energy: -87.907678
where:
bonds (distance) C4'-P energy: -26.922
bonds (distance) P-C4' energy: -33.080
flat angles C4'-P-C4' energy: -21.622
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: 4.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -540.546355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.546355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.546355 (E_RNA)
where:
Base-Base interactions energy: -379.063
where: short stacking energy: -161.293
Base-Backbone interact. energy: -0.320
local terms energy: -161.163345
where:
bonds (distance) C4'-P energy: -26.666
bonds (distance) P-C4' energy: -25.243
flat angles C4'-P-C4' energy: -36.927
flat angles P-C4'-P energy: -24.748
tors. eta vs tors. theta energy: -47.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -531.266437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.266437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.266437 (E_RNA)
where:
Base-Base interactions energy: -373.281
where: short stacking energy: -153.072
Base-Backbone interact. energy: -0.300
local terms energy: -157.685667
where:
bonds (distance) C4'-P energy: -26.022
bonds (distance) P-C4' energy: -24.256
flat angles C4'-P-C4' energy: -31.182
flat angles P-C4'-P energy: -26.607
tors. eta vs tors. theta energy: -49.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -520.897435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.897435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.897435 (E_RNA)
where:
Base-Base interactions energy: -366.113
where: short stacking energy: -158.611
Base-Backbone interact. energy: -0.705
local terms energy: -154.079534
where:
bonds (distance) C4'-P energy: -26.337
bonds (distance) P-C4' energy: -28.600
flat angles C4'-P-C4' energy: -33.909
flat angles P-C4'-P energy: -21.461
tors. eta vs tors. theta energy: -43.773
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: 4
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -504.547927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.547927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.547927 (E_RNA)
where:
Base-Base interactions energy: -358.929
where: short stacking energy: -151.416
Base-Backbone interact. energy: -0.106
local terms energy: -145.512173
where:
bonds (distance) C4'-P energy: -25.489
bonds (distance) P-C4' energy: -25.731
flat angles C4'-P-C4' energy: -29.162
flat angles P-C4'-P energy: -19.381
tors. eta vs tors. theta energy: -45.749
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: 8
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -497.013824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.013824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.013824 (E_RNA)
where:
Base-Base interactions energy: -355.176
where: short stacking energy: -137.224
Base-Backbone interact. energy: 0.070
local terms energy: -141.907967
where:
bonds (distance) C4'-P energy: -26.816
bonds (distance) P-C4' energy: -25.328
flat angles C4'-P-C4' energy: -22.604
flat angles P-C4'-P energy: -21.744
tors. eta vs tors. theta energy: -45.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -444.489506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.489506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.489506 (E_RNA)
where:
Base-Base interactions energy: -308.683
where: short stacking energy: -135.891
Base-Backbone interact. energy: -0.567
local terms energy: -135.239485
where:
bonds (distance) C4'-P energy: -32.151
bonds (distance) P-C4' energy: -20.999
flat angles C4'-P-C4' energy: -25.705
flat angles P-C4'-P energy: -12.605
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: 7, replica: 3
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -408.866398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.866398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.866398 (E_RNA)
where:
Base-Base interactions energy: -284.493
where: short stacking energy: -120.761
Base-Backbone interact. energy: 2.753
local terms energy: -127.126469
where:
bonds (distance) C4'-P energy: -19.835
bonds (distance) P-C4' energy: -25.461
flat angles C4'-P-C4' energy: -27.473
flat angles P-C4'-P energy: -18.381
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: 8, replica: 10
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -327.813230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.813230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.813230 (E_RNA)
where:
Base-Base interactions energy: -217.530
where: short stacking energy: -89.930
Base-Backbone interact. energy: 0.478
local terms energy: -110.761658
where:
bonds (distance) C4'-P energy: -27.858
bonds (distance) P-C4' energy: -24.123
flat angles C4'-P-C4' energy: -25.274
flat angles P-C4'-P energy: -15.260
tors. eta vs tors. theta energy: -18.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -216.845598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.845598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.845598 (E_RNA)
where:
Base-Base interactions energy: -130.177
where: short stacking energy: -64.006
Base-Backbone interact. energy: -0.604
local terms energy: -86.064761
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -28.010
flat angles C4'-P-C4' energy: -20.356
flat angles P-C4'-P energy: -16.949
tors. eta vs tors. theta energy: -4.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -135.464726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.464726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.464726 (E_RNA)
where:
Base-Base interactions energy: -57.580
where: short stacking energy: -53.440
Base-Backbone interact. energy: 3.288
local terms energy: -81.173091
where:
bonds (distance) C4'-P energy: -22.043
bonds (distance) P-C4' energy: -25.392
flat angles C4'-P-C4' energy: -20.931
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -3.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -530.504641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.504641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.504641 (E_RNA)
where:
Base-Base interactions energy: -364.575
where: short stacking energy: -152.385
Base-Backbone interact. energy: -0.788
local terms energy: -165.141628
where:
bonds (distance) C4'-P energy: -30.168
bonds (distance) P-C4' energy: -31.576
flat angles C4'-P-C4' energy: -30.051
flat angles P-C4'-P energy: -26.092
tors. eta vs tors. theta energy: -47.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -528.286259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.286259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.286259 (E_RNA)
where:
Base-Base interactions energy: -371.982
where: short stacking energy: -147.566
Base-Backbone interact. energy: -0.301
local terms energy: -156.003884
where:
bonds (distance) C4'-P energy: -27.791
bonds (distance) P-C4' energy: -28.485
flat angles C4'-P-C4' energy: -29.676
flat angles P-C4'-P energy: -23.156
tors. eta vs tors. theta energy: -46.897
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: 3, replica: 9
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -527.854198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.854198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.854198 (E_RNA)
where:
Base-Base interactions energy: -371.862
where: short stacking energy: -155.512
Base-Backbone interact. energy: -0.221
local terms energy: -155.771144
where:
bonds (distance) C4'-P energy: -28.254
bonds (distance) P-C4' energy: -28.413
flat angles C4'-P-C4' energy: -28.104
flat angles P-C4'-P energy: -24.450
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: 4, replica: 8
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -511.698469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.698469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.698469 (E_RNA)
where:
Base-Base interactions energy: -362.124
where: short stacking energy: -144.519
Base-Backbone interact. energy: 0.909
local terms energy: -150.483851
where:
bonds (distance) C4'-P energy: -24.981
bonds (distance) P-C4' energy: -25.870
flat angles C4'-P-C4' energy: -28.125
flat angles P-C4'-P energy: -21.886
tors. eta vs tors. theta energy: -49.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -483.234675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.234675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.234675 (E_RNA)
where:
Base-Base interactions energy: -326.858
where: short stacking energy: -148.072
Base-Backbone interact. energy: -0.499
local terms energy: -155.877433
where:
bonds (distance) C4'-P energy: -26.463
bonds (distance) P-C4' energy: -29.617
flat angles C4'-P-C4' energy: -31.696
flat angles P-C4'-P energy: -18.985
tors. eta vs tors. theta energy: -49.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -433.445764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.445764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.445764 (E_RNA)
where:
Base-Base interactions energy: -290.279
where: short stacking energy: -138.586
Base-Backbone interact. energy: -0.660
local terms energy: -142.506718
where:
bonds (distance) C4'-P energy: -24.803
bonds (distance) P-C4' energy: -30.441
flat angles C4'-P-C4' energy: -32.371
flat angles P-C4'-P energy: -16.539
tors. eta vs tors. theta energy: -38.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -411.250514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.250514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.250514 (E_RNA)
where:
Base-Base interactions energy: -277.074
where: short stacking energy: -124.084
Base-Backbone interact. energy: -0.139
local terms energy: -134.037625
where:
bonds (distance) C4'-P energy: -25.277
bonds (distance) P-C4' energy: -26.054
flat angles C4'-P-C4' energy: -29.953
flat angles P-C4'-P energy: -14.845
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: 8, replica: 10
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -325.442344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.442344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.442344 (E_RNA)
where:
Base-Base interactions energy: -232.040
where: short stacking energy: -92.664
Base-Backbone interact. energy: -1.160
local terms energy: -92.242017
where:
bonds (distance) C4'-P energy: -19.731
bonds (distance) P-C4' energy: -24.652
flat angles C4'-P-C4' energy: -21.692
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: -19.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -216.192391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.192391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.192391 (E_RNA)
where:
Base-Base interactions energy: -119.008
where: short stacking energy: -71.839
Base-Backbone interact. energy: 0.367
local terms energy: -97.550938
where:
bonds (distance) C4'-P energy: -23.784
bonds (distance) P-C4' energy: -25.785
flat angles C4'-P-C4' energy: -23.354
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -14.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -127.278081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.278081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.278081 (E_RNA)
where:
Base-Base interactions energy: -42.616
where: short stacking energy: -40.608
Base-Backbone interact. energy: -0.474
local terms energy: -84.189033
where:
bonds (distance) C4'-P energy: -30.440
bonds (distance) P-C4' energy: -26.121
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -15.518
tors. eta vs tors. theta energy: 0.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -532.546272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.546272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.546272 (E_RNA)
where:
Base-Base interactions energy: -370.913
where: short stacking energy: -155.992
Base-Backbone interact. energy: -0.014
local terms energy: -161.618562
where:
bonds (distance) C4'-P energy: -29.255
bonds (distance) P-C4' energy: -30.752
flat angles C4'-P-C4' energy: -31.368
flat angles P-C4'-P energy: -25.131
tors. eta vs tors. theta energy: -45.112
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: 2, replica: 7
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -525.540136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.540136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.540136 (E_RNA)
where:
Base-Base interactions energy: -374.111
where: short stacking energy: -156.015
Base-Backbone interact. energy: -0.402
local terms energy: -151.026283
where:
bonds (distance) C4'-P energy: -24.607
bonds (distance) P-C4' energy: -31.628
flat angles C4'-P-C4' energy: -30.653
flat angles P-C4'-P energy: -19.703
tors. eta vs tors. theta energy: -44.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -523.082046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.082046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.082046 (E_RNA)
where:
Base-Base interactions energy: -372.861
where: short stacking energy: -156.560
Base-Backbone interact. energy: -0.117
local terms energy: -150.103658
where:
bonds (distance) C4'-P energy: -25.035
bonds (distance) P-C4' energy: -32.243
flat angles C4'-P-C4' energy: -25.584
flat angles P-C4'-P energy: -21.345
tors. eta vs tors. theta energy: -45.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -522.044189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.044189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.044189 (E_RNA)
where:
Base-Base interactions energy: -368.107
where: short stacking energy: -150.323
Base-Backbone interact. energy: 0.985
local terms energy: -154.922163
where:
bonds (distance) C4'-P energy: -22.297
bonds (distance) P-C4' energy: -28.122
flat angles C4'-P-C4' energy: -33.217
flat angles P-C4'-P energy: -24.372
tors. eta vs tors. theta energy: -46.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -500.434616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.434616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.434616 (E_RNA)
where:
Base-Base interactions energy: -361.587
where: short stacking energy: -157.463
Base-Backbone interact. energy: -0.011
local terms energy: -138.836024
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -20.407
flat angles C4'-P-C4' energy: -30.606
flat angles P-C4'-P energy: -21.008
tors. eta vs tors. theta energy: -47.346
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: 440
Temperature: 1.150000
Total energy: -421.289467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.289467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.289467 (E_RNA)
where:
Base-Base interactions energy: -292.587
where: short stacking energy: -122.102
Base-Backbone interact. energy: -0.896
local terms energy: -127.805702
where:
bonds (distance) C4'-P energy: -21.875
bonds (distance) P-C4' energy: -23.525
flat angles C4'-P-C4' energy: -29.816
flat angles P-C4'-P energy: -18.699
tors. eta vs tors. theta energy: -33.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -409.329725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.329725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.329725 (E_RNA)
where:
Base-Base interactions energy: -286.982
where: short stacking energy: -121.488
Base-Backbone interact. energy: -0.166
local terms energy: -122.181605
where:
bonds (distance) C4'-P energy: -23.523
bonds (distance) P-C4' energy: -24.526
flat angles C4'-P-C4' energy: -23.744
flat angles P-C4'-P energy: -14.937
tors. eta vs tors. theta energy: -35.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -319.658130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.658130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.658130 (E_RNA)
where:
Base-Base interactions energy: -202.737
where: short stacking energy: -92.912
Base-Backbone interact. energy: -0.155
local terms energy: -116.765657
where:
bonds (distance) C4'-P energy: -23.822
bonds (distance) P-C4' energy: -28.825
flat angles C4'-P-C4' energy: -29.731
flat angles P-C4'-P energy: -18.025
tors. eta vs tors. theta energy: -16.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -209.069292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.069292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.069292 (E_RNA)
where:
Base-Base interactions energy: -105.561
where: short stacking energy: -56.577
Base-Backbone interact. energy: -0.347
local terms energy: -103.161530
where:
bonds (distance) C4'-P energy: -29.503
bonds (distance) P-C4' energy: -22.626
flat angles C4'-P-C4' energy: -22.473
flat angles P-C4'-P energy: -16.277
tors. eta vs tors. theta energy: -12.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -133.669684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.669684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.669684 (E_RNA)
where:
Base-Base interactions energy: -58.372
where: short stacking energy: -50.876
Base-Backbone interact. energy: 1.275
local terms energy: -76.572687
where:
bonds (distance) C4'-P energy: -17.778
bonds (distance) P-C4' energy: -23.894
flat angles C4'-P-C4' energy: -19.639
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -2.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -542.478891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.478891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.478891 (E_RNA)
where:
Base-Base interactions energy: -383.566
where: short stacking energy: -162.437
Base-Backbone interact. energy: -0.014
local terms energy: -158.898959
where:
bonds (distance) C4'-P energy: -21.760
bonds (distance) P-C4' energy: -28.595
flat angles C4'-P-C4' energy: -32.114
flat angles P-C4'-P energy: -26.714
tors. eta vs tors. theta energy: -49.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -524.494361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.494361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.494361 (E_RNA)
where:
Base-Base interactions energy: -378.424
where: short stacking energy: -146.353
Base-Backbone interact. energy: -0.209
local terms energy: -145.861307
where:
bonds (distance) C4'-P energy: -30.494
bonds (distance) P-C4' energy: -30.693
flat angles C4'-P-C4' energy: -26.448
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -42.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -521.781741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.781741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.781741 (E_RNA)
where:
Base-Base interactions energy: -376.340
where: short stacking energy: -148.887
Base-Backbone interact. energy: -0.013
local terms energy: -145.428622
where:
bonds (distance) C4'-P energy: -27.107
bonds (distance) P-C4' energy: -23.576
flat angles C4'-P-C4' energy: -31.140
flat angles P-C4'-P energy: -18.284
tors. eta vs tors. theta energy: -45.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -490.205932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.205932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.205932 (E_RNA)
where:
Base-Base interactions energy: -339.414
where: short stacking energy: -148.197
Base-Backbone interact. energy: -1.065
local terms energy: -149.726709
where:
bonds (distance) C4'-P energy: -22.819
bonds (distance) P-C4' energy: -29.177
flat angles C4'-P-C4' energy: -32.980
flat angles P-C4'-P energy: -20.402
tors. eta vs tors. theta energy: -44.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -497.070762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.070762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.070762 (E_RNA)
where:
Base-Base interactions energy: -350.052
where: short stacking energy: -145.886
Base-Backbone interact. energy: -0.071
local terms energy: -146.948023
where:
bonds (distance) C4'-P energy: -19.793
bonds (distance) P-C4' energy: -28.121
flat angles C4'-P-C4' energy: -26.374
flat angles P-C4'-P energy: -23.870
tors. eta vs tors. theta energy: -48.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -430.162706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.162706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.162706 (E_RNA)
where:
Base-Base interactions energy: -292.541
where: short stacking energy: -129.830
Base-Backbone interact. energy: -0.939
local terms energy: -136.682291
where:
bonds (distance) C4'-P energy: -19.769
bonds (distance) P-C4' energy: -33.089
flat angles C4'-P-C4' energy: -30.756
flat angles P-C4'-P energy: -19.797
tors. eta vs tors. theta energy: -33.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -427.600436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.600436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.600436 (E_RNA)
where:
Base-Base interactions energy: -293.125
where: short stacking energy: -136.678
Base-Backbone interact. energy: -0.735
local terms energy: -133.741071
where:
bonds (distance) C4'-P energy: -24.226
bonds (distance) P-C4' energy: -20.574
flat angles C4'-P-C4' energy: -27.620
flat angles P-C4'-P energy: -16.737
tors. eta vs tors. theta energy: -44.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -346.110947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.110947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.110947 (E_RNA)
where:
Base-Base interactions energy: -229.060
where: short stacking energy: -102.515
Base-Backbone interact. energy: -0.399
local terms energy: -116.651163
where:
bonds (distance) C4'-P energy: -23.271
bonds (distance) P-C4' energy: -29.106
flat angles C4'-P-C4' energy: -22.653
flat angles P-C4'-P energy: -16.869
tors. eta vs tors. theta energy: -24.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -224.832106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.832106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.832106 (E_RNA)
where:
Base-Base interactions energy: -125.652
where: short stacking energy: -63.314
Base-Backbone interact. energy: -0.467
local terms energy: -98.712386
where:
bonds (distance) C4'-P energy: -25.047
bonds (distance) P-C4' energy: -22.698
flat angles C4'-P-C4' energy: -23.030
flat angles P-C4'-P energy: -17.003
tors. eta vs tors. theta energy: -10.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -156.284982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.284982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.284982 (E_RNA)
where:
Base-Base interactions energy: -72.666
where: short stacking energy: -56.300
Base-Backbone interact. energy: 0.081
local terms energy: -83.700604
where:
bonds (distance) C4'-P energy: -29.630
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -21.452
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -6.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -538.803230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.803230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.803230 (E_RNA)
where:
Base-Base interactions energy: -390.497
where: short stacking energy: -154.063
Base-Backbone interact. energy: -0.503
local terms energy: -147.803224
where:
bonds (distance) C4'-P energy: -23.240
bonds (distance) P-C4' energy: -27.645
flat angles C4'-P-C4' energy: -33.267
flat angles P-C4'-P energy: -21.807
tors. eta vs tors. theta energy: -41.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -517.952906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.952906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.952906 (E_RNA)
where:
Base-Base interactions energy: -369.716
where: short stacking energy: -154.466
Base-Backbone interact. energy: -0.145
local terms energy: -148.091513
where:
bonds (distance) C4'-P energy: -31.881
bonds (distance) P-C4' energy: -30.810
flat angles C4'-P-C4' energy: -26.806
flat angles P-C4'-P energy: -18.721
tors. eta vs tors. theta energy: -39.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -528.687167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.687167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.687167 (E_RNA)
where:
Base-Base interactions energy: -372.051
where: short stacking energy: -146.392
Base-Backbone interact. energy: -0.074
local terms energy: -156.562960
where:
bonds (distance) C4'-P energy: -28.227
bonds (distance) P-C4' energy: -29.345
flat angles C4'-P-C4' energy: -30.169
flat angles P-C4'-P energy: -24.497
tors. eta vs tors. theta energy: -44.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -499.430247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.430247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.430247 (E_RNA)
where:
Base-Base interactions energy: -349.016
where: short stacking energy: -142.496
Base-Backbone interact. energy: -0.040
local terms energy: -150.375039
where:
bonds (distance) C4'-P energy: -31.073
bonds (distance) P-C4' energy: -28.159
flat angles C4'-P-C4' energy: -28.903
flat angles P-C4'-P energy: -15.904
tors. eta vs tors. theta energy: -46.336
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: 9
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -500.399857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.399857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.399857 (E_RNA)
where:
Base-Base interactions energy: -353.517
where: short stacking energy: -146.240
Base-Backbone interact. energy: -0.716
local terms energy: -146.166658
where:
bonds (distance) C4'-P energy: -28.624
bonds (distance) P-C4' energy: -24.520
flat angles C4'-P-C4' energy: -34.079
flat angles P-C4'-P energy: -14.443
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: 6, replica: 3
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -442.633687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.633687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.633687 (E_RNA)
where:
Base-Base interactions energy: -307.925
where: short stacking energy: -138.015
Base-Backbone interact. energy: -0.274
local terms energy: -134.434329
where:
bonds (distance) C4'-P energy: -19.665
bonds (distance) P-C4' energy: -24.054
flat angles C4'-P-C4' energy: -33.551
flat angles P-C4'-P energy: -19.988
tors. eta vs tors. theta energy: -37.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -451.212885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.212885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.212885 (E_RNA)
where:
Base-Base interactions energy: -315.401
where: short stacking energy: -140.302
Base-Backbone interact. energy: -0.010
local terms energy: -135.801049
where:
bonds (distance) C4'-P energy: -26.306
bonds (distance) P-C4' energy: -22.561
flat angles C4'-P-C4' energy: -27.456
flat angles P-C4'-P energy: -17.723
tors. eta vs tors. theta energy: -41.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -346.648909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.648909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.648909 (E_RNA)
where:
Base-Base interactions energy: -226.140
where: short stacking energy: -101.994
Base-Backbone interact. energy: -0.732
local terms energy: -119.777470
where:
bonds (distance) C4'-P energy: -29.863
bonds (distance) P-C4' energy: -20.937
flat angles C4'-P-C4' energy: -24.679
flat angles P-C4'-P energy: -16.108
tors. eta vs tors. theta energy: -28.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -185.117295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.117295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.117295 (E_RNA)
where:
Base-Base interactions energy: -112.166
where: short stacking energy: -57.149
Base-Backbone interact. energy: -0.387
local terms energy: -72.564630
where:
bonds (distance) C4'-P energy: -22.818
bonds (distance) P-C4' energy: -27.134
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: 1.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -208.661614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.661614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.661614 (E_RNA)
where:
Base-Base interactions energy: -116.654
where: short stacking energy: -48.102
Base-Backbone interact. energy: 1.610
local terms energy: -93.617257
where:
bonds (distance) C4'-P energy: -32.272
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -27.324
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -13.621
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: 1, replica: 7
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -527.771900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.771900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.771900 (E_RNA)
where:
Base-Base interactions energy: -383.314
where: short stacking energy: -152.736
Base-Backbone interact. energy: -0.146
local terms energy: -144.311905
where:
bonds (distance) C4'-P energy: -22.902
bonds (distance) P-C4' energy: -28.807
flat angles C4'-P-C4' energy: -29.381
flat angles P-C4'-P energy: -22.404
tors. eta vs tors. theta energy: -40.818
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: 443
Temperature: 0.950000
Total energy: -526.587529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.587529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.587529 (E_RNA)
where:
Base-Base interactions energy: -376.355
where: short stacking energy: -162.241
Base-Backbone interact. energy: -0.194
local terms energy: -150.037941
where:
bonds (distance) C4'-P energy: -21.309
bonds (distance) P-C4' energy: -27.950
flat angles C4'-P-C4' energy: -31.528
flat angles P-C4'-P energy: -21.269
tors. eta vs tors. theta energy: -47.981
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: 6
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -515.109750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.109750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.109750 (E_RNA)
where:
Base-Base interactions energy: -377.771
where: short stacking energy: -149.564
Base-Backbone interact. energy: -0.699
local terms energy: -136.639964
where:
bonds (distance) C4'-P energy: -23.982
bonds (distance) P-C4' energy: -26.434
flat angles C4'-P-C4' energy: -27.051
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -43.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -521.503380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.503380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.503380 (E_RNA)
where:
Base-Base interactions energy: -366.912
where: short stacking energy: -152.138
Base-Backbone interact. energy: -0.076
local terms energy: -154.515832
where:
bonds (distance) C4'-P energy: -23.993
bonds (distance) P-C4' energy: -27.008
flat angles C4'-P-C4' energy: -31.805
flat angles P-C4'-P energy: -24.321
tors. eta vs tors. theta energy: -47.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -488.093854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.093854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.093854 (E_RNA)
where:
Base-Base interactions energy: -340.776
where: short stacking energy: -146.849
Base-Backbone interact. energy: -0.006
local terms energy: -147.310957
where:
bonds (distance) C4'-P energy: -30.329
bonds (distance) P-C4' energy: -29.319
flat angles C4'-P-C4' energy: -24.063
flat angles P-C4'-P energy: -18.144
tors. eta vs tors. theta energy: -45.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -438.754028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.754028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.754028 (E_RNA)
where:
Base-Base interactions energy: -295.324
where: short stacking energy: -144.528
Base-Backbone interact. energy: -0.868
local terms energy: -142.561587
where:
bonds (distance) C4'-P energy: -22.973
bonds (distance) P-C4' energy: -26.345
flat angles C4'-P-C4' energy: -29.037
flat angles P-C4'-P energy: -22.305
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: 7, replica: 2
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -423.283641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.283641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.283641 (E_RNA)
where:
Base-Base interactions energy: -301.906
where: short stacking energy: -129.298
Base-Backbone interact. energy: -0.055
local terms energy: -121.322284
where:
bonds (distance) C4'-P energy: -20.662
bonds (distance) P-C4' energy: -22.701
flat angles C4'-P-C4' energy: -24.058
flat angles P-C4'-P energy: -15.519
tors. eta vs tors. theta energy: -38.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -338.680853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.680853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.680853 (E_RNA)
where:
Base-Base interactions energy: -216.423
where: short stacking energy: -100.215
Base-Backbone interact. energy: -0.671
local terms energy: -121.586870
where:
bonds (distance) C4'-P energy: -21.572
bonds (distance) P-C4' energy: -30.577
flat angles C4'-P-C4' energy: -27.866
flat angles P-C4'-P energy: -15.620
tors. eta vs tors. theta energy: -25.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -217.302052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.302052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.302052 (E_RNA)
where:
Base-Base interactions energy: -130.305
where: short stacking energy: -72.213
Base-Backbone interact. energy: -0.618
local terms energy: -86.379579
where:
bonds (distance) C4'-P energy: -20.598
bonds (distance) P-C4' energy: -24.958
flat angles C4'-P-C4' energy: -21.574
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -10.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -214.001382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.001382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.001382 (E_RNA)
where:
Base-Base interactions energy: -122.999
where: short stacking energy: -53.328
Base-Backbone interact. energy: 3.317
local terms energy: -94.319525
where:
bonds (distance) C4'-P energy: -22.521
bonds (distance) P-C4' energy: -27.400
flat angles C4'-P-C4' energy: -27.146
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -2.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -531.599097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.599097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.599097 (E_RNA)
where:
Base-Base interactions energy: -379.640
where: short stacking energy: -157.304
Base-Backbone interact. energy: -0.709
local terms energy: -151.249537
where:
bonds (distance) C4'-P energy: -26.157
bonds (distance) P-C4' energy: -29.370
flat angles C4'-P-C4' energy: -32.185
flat angles P-C4'-P energy: -21.678
tors. eta vs tors. theta energy: -41.860
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: 7
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -523.291553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.291553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.291553 (E_RNA)
where:
Base-Base interactions energy: -369.606
where: short stacking energy: -159.928
Base-Backbone interact. energy: -0.001
local terms energy: -153.684325
where:
bonds (distance) C4'-P energy: -29.069
bonds (distance) P-C4' energy: -23.598
flat angles C4'-P-C4' energy: -31.595
flat angles P-C4'-P energy: -23.190
tors. eta vs tors. theta energy: -46.232
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: 6
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -514.462220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.462220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.462220 (E_RNA)
where:
Base-Base interactions energy: -362.113
where: short stacking energy: -149.638
Base-Backbone interact. energy: -0.032
local terms energy: -152.317479
where:
bonds (distance) C4'-P energy: -31.914
bonds (distance) P-C4' energy: -24.457
flat angles C4'-P-C4' energy: -30.102
flat angles P-C4'-P energy: -23.401
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: 4, replica: 9
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -506.988466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.988466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.988466 (E_RNA)
where:
Base-Base interactions energy: -353.895
where: short stacking energy: -148.910
Base-Backbone interact. energy: -0.178
local terms energy: -152.915652
where:
bonds (distance) C4'-P energy: -29.877
bonds (distance) P-C4' energy: -25.515
flat angles C4'-P-C4' energy: -28.028
flat angles P-C4'-P energy: -23.289
tors. eta vs tors. theta energy: -46.206
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: 4
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -478.313210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.313210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.313210 (E_RNA)
where:
Base-Base interactions energy: -343.889
where: short stacking energy: -151.394
Base-Backbone interact. energy: -0.464
local terms energy: -133.960738
where:
bonds (distance) C4'-P energy: -22.360
bonds (distance) P-C4' energy: -18.084
flat angles C4'-P-C4' energy: -29.384
flat angles P-C4'-P energy: -19.222
tors. eta vs tors. theta energy: -44.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -442.338528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.338528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.338528 (E_RNA)
where:
Base-Base interactions energy: -300.600
where: short stacking energy: -133.041
Base-Backbone interact. energy: -0.092
local terms energy: -141.646395
where:
bonds (distance) C4'-P energy: -24.496
bonds (distance) P-C4' energy: -27.651
flat angles C4'-P-C4' energy: -27.671
flat angles P-C4'-P energy: -17.670
tors. eta vs tors. theta energy: -44.158
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: 444
Temperature: 1.200000
Total energy: -340.021726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.021726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.021726 (E_RNA)
where:
Base-Base interactions energy: -219.313
where: short stacking energy: -97.946
Base-Backbone interact. energy: -0.311
local terms energy: -120.397642
where:
bonds (distance) C4'-P energy: -29.442
bonds (distance) P-C4' energy: -29.717
flat angles C4'-P-C4' energy: -28.824
flat angles P-C4'-P energy: -15.598
tors. eta vs tors. theta energy: -16.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -409.646134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.646134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.646134 (E_RNA)
where:
Base-Base interactions energy: -270.058
where: short stacking energy: -123.336
Base-Backbone interact. energy: -0.111
local terms energy: -139.477166
where:
bonds (distance) C4'-P energy: -26.134
bonds (distance) P-C4' energy: -27.108
flat angles C4'-P-C4' energy: -29.951
flat angles P-C4'-P energy: -16.534
tors. eta vs tors. theta energy: -39.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -220.784265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.784265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.784265 (E_RNA)
where:
Base-Base interactions energy: -122.438
where: short stacking energy: -63.600
Base-Backbone interact. energy: -1.578
local terms energy: -96.767763
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -26.736
flat angles C4'-P-C4' energy: -28.065
flat angles P-C4'-P energy: -16.277
tors. eta vs tors. theta energy: -10.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -192.697427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.697427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.697427 (E_RNA)
where:
Base-Base interactions energy: -113.824
where: short stacking energy: -50.691
Base-Backbone interact. energy: 0.568
local terms energy: -79.441367
where:
bonds (distance) C4'-P energy: -28.560
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -4.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -531.264584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.264584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.264584 (E_RNA)
where:
Base-Base interactions energy: -373.166
where: short stacking energy: -152.341
Base-Backbone interact. energy: -1.620
local terms energy: -156.479239
where:
bonds (distance) C4'-P energy: -24.810
bonds (distance) P-C4' energy: -31.593
flat angles C4'-P-C4' energy: -33.541
flat angles P-C4'-P energy: -23.605
tors. eta vs tors. theta energy: -42.930
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: 7
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -516.824705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.824705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.824705 (E_RNA)
where:
Base-Base interactions energy: -365.736
where: short stacking energy: -153.741
Base-Backbone interact. energy: -0.101
local terms energy: -150.987769
where:
bonds (distance) C4'-P energy: -22.543
bonds (distance) P-C4' energy: -29.533
flat angles C4'-P-C4' energy: -28.493
flat angles P-C4'-P energy: -25.625
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: 3, replica: 6
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -517.060242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.060242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.060242 (E_RNA)
where:
Base-Base interactions energy: -363.456
where: short stacking energy: -148.915
Base-Backbone interact. energy: -0.992
local terms energy: -152.612688
where:
bonds (distance) C4'-P energy: -30.684
bonds (distance) P-C4' energy: -30.502
flat angles C4'-P-C4' energy: -25.414
flat angles P-C4'-P energy: -19.601
tors. eta vs tors. theta energy: -46.412
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: 4, replica: 4
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -500.648924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.648924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.648924 (E_RNA)
where:
Base-Base interactions energy: -352.138
where: short stacking energy: -150.842
Base-Backbone interact. energy: -0.300
local terms energy: -148.211503
where:
bonds (distance) C4'-P energy: -25.529
bonds (distance) P-C4' energy: -22.219
flat angles C4'-P-C4' energy: -32.203
flat angles P-C4'-P energy: -21.502
tors. eta vs tors. theta energy: -46.758
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: 9
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -504.656984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.656984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.656984 (E_RNA)
where:
Base-Base interactions energy: -351.912
where: short stacking energy: -138.905
Base-Backbone interact. energy: -0.154
local terms energy: -152.591100
where:
bonds (distance) C4'-P energy: -26.951
bonds (distance) P-C4' energy: -27.883
flat angles C4'-P-C4' energy: -29.615
flat angles P-C4'-P energy: -22.653
tors. eta vs tors. theta energy: -45.490
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: 6, replica: 3
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -439.774880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.774880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.774880 (E_RNA)
where:
Base-Base interactions energy: -303.126
where: short stacking energy: -134.902
Base-Backbone interact. energy: -0.021
local terms energy: -136.627862
where:
bonds (distance) C4'-P energy: -23.477
bonds (distance) P-C4' energy: -30.929
flat angles C4'-P-C4' energy: -30.047
flat angles P-C4'-P energy: -15.846
tors. eta vs tors. theta energy: -36.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -324.703719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.703719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.703719 (E_RNA)
where:
Base-Base interactions energy: -218.629
where: short stacking energy: -99.284
Base-Backbone interact. energy: 1.867
local terms energy: -107.942341
where:
bonds (distance) C4'-P energy: -22.034
bonds (distance) P-C4' energy: -23.083
flat angles C4'-P-C4' energy: -24.986
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -22.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -401.193468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.193468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.193468 (E_RNA)
where:
Base-Base interactions energy: -271.565
where: short stacking energy: -121.155
Base-Backbone interact. energy: -0.061
local terms energy: -129.568245
where:
bonds (distance) C4'-P energy: -23.944
bonds (distance) P-C4' energy: -25.775
flat angles C4'-P-C4' energy: -31.422
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -34.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -217.697668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.697668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.697668 (E_RNA)
where:
Base-Base interactions energy: -117.482
where: short stacking energy: -66.409
Base-Backbone interact. energy: -0.545
local terms energy: -99.670331
where:
bonds (distance) C4'-P energy: -19.587
bonds (distance) P-C4' energy: -27.346
flat angles C4'-P-C4' energy: -22.065
flat angles P-C4'-P energy: -18.504
tors. eta vs tors. theta energy: -12.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -148.626788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.626788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.626788 (E_RNA)
where:
Base-Base interactions energy: -68.467
where: short stacking energy: -42.723
Base-Backbone interact. energy: 2.151
local terms energy: -82.310748
where:
bonds (distance) C4'-P energy: -31.936
bonds (distance) P-C4' energy: -22.605
flat angles C4'-P-C4' energy: -18.633
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: -3.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -533.018975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.018975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.018975 (E_RNA)
where:
Base-Base interactions energy: -378.928
where: short stacking energy: -153.331
Base-Backbone interact. energy: -0.224
local terms energy: -153.867462
where:
bonds (distance) C4'-P energy: -27.787
bonds (distance) P-C4' energy: -33.570
flat angles C4'-P-C4' energy: -26.534
flat angles P-C4'-P energy: -25.352
tors. eta vs tors. theta energy: -40.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -524.353654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.353654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.353654 (E_RNA)
where:
Base-Base interactions energy: -379.793
where: short stacking energy: -156.357
Base-Backbone interact. energy: -0.002
local terms energy: -144.559359
where:
bonds (distance) C4'-P energy: -21.913
bonds (distance) P-C4' energy: -29.136
flat angles C4'-P-C4' energy: -27.634
flat angles P-C4'-P energy: -19.213
tors. eta vs tors. theta energy: -46.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -514.570939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.570939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.570939 (E_RNA)
where:
Base-Base interactions energy: -371.096
where: short stacking energy: -152.588
Base-Backbone interact. energy: 2.941
local terms energy: -146.415796
where:
bonds (distance) C4'-P energy: -30.688
bonds (distance) P-C4' energy: -21.890
flat angles C4'-P-C4' energy: -28.980
flat angles P-C4'-P energy: -21.580
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: 4, replica: 4
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -494.917566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.917566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.917566 (E_RNA)
where:
Base-Base interactions energy: -346.230
where: short stacking energy: -152.781
Base-Backbone interact. energy: -0.245
local terms energy: -148.442950
where:
bonds (distance) C4'-P energy: -26.969
bonds (distance) P-C4' energy: -28.111
flat angles C4'-P-C4' energy: -25.926
flat angles P-C4'-P energy: -19.822
tors. eta vs tors. theta energy: -47.615
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: 9
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -513.829677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.829677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.829677 (E_RNA)
where:
Base-Base interactions energy: -360.316
where: short stacking energy: -153.425
Base-Backbone interact. energy: -0.004
local terms energy: -153.510368
where:
bonds (distance) C4'-P energy: -25.767
bonds (distance) P-C4' energy: -27.021
flat angles C4'-P-C4' energy: -31.918
flat angles P-C4'-P energy: -21.098
tors. eta vs tors. theta energy: -47.706
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: 3
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -413.660013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.660013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.660013 (E_RNA)
where:
Base-Base interactions energy: -284.868
where: short stacking energy: -127.714
Base-Backbone interact. energy: -0.143
local terms energy: -128.649070
where:
bonds (distance) C4'-P energy: -25.370
bonds (distance) P-C4' energy: -21.485
flat angles C4'-P-C4' energy: -22.888
flat angles P-C4'-P energy: -17.977
tors. eta vs tors. theta energy: -40.930
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: 446
Temperature: 1.200000
Total energy: -385.442684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.442684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.442684 (E_RNA)
where:
Base-Base interactions energy: -255.167
where: short stacking energy: -106.240
Base-Backbone interact. energy: -0.865
local terms energy: -129.411434
where:
bonds (distance) C4'-P energy: -24.933
bonds (distance) P-C4' energy: -25.796
flat angles C4'-P-C4' energy: -30.080
flat angles P-C4'-P energy: -20.314
tors. eta vs tors. theta energy: -28.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -317.962784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.962784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.962784 (E_RNA)
where:
Base-Base interactions energy: -210.143
where: short stacking energy: -98.099
Base-Backbone interact. energy: -0.218
local terms energy: -107.601945
where:
bonds (distance) C4'-P energy: -22.295
bonds (distance) P-C4' energy: -25.048
flat angles C4'-P-C4' energy: -23.664
flat angles P-C4'-P energy: -17.569
tors. eta vs tors. theta energy: -19.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -216.755569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.755569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.755569 (E_RNA)
where:
Base-Base interactions energy: -124.543
where: short stacking energy: -73.841
Base-Backbone interact. energy: -0.087
local terms energy: -92.126103
where:
bonds (distance) C4'-P energy: -24.566
bonds (distance) P-C4' energy: -17.909
flat angles C4'-P-C4' energy: -20.595
flat angles P-C4'-P energy: -16.005
tors. eta vs tors. theta energy: -13.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -128.892663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.892663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.892663 (E_RNA)
where:
Base-Base interactions energy: -44.809
where: short stacking energy: -46.109
Base-Backbone interact. energy: -0.404
local terms energy: -83.679075
where:
bonds (distance) C4'-P energy: -19.930
bonds (distance) P-C4' energy: -22.840
flat angles C4'-P-C4' energy: -23.787
flat angles P-C4'-P energy: -17.245
tors. eta vs tors. theta energy: 0.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/2KX8-d8faabb0_01
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 8
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -541.135172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.135172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.135172 (E_RNA)
where:
Base-Base interactions energy: -387.267
where: short stacking energy: -153.873
Base-Backbone interact. energy: 2.270
local terms energy: -156.138187
where:
bonds (distance) C4'-P energy: -26.231
bonds (distance) P-C4' energy: -32.811
flat angles C4'-P-C4' energy: -29.820
flat angles P-C4'-P energy: -23.032
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: 2, replica: 6
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -526.661584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.661584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.661584 (E_RNA)
where:
Base-Base interactions energy: -376.315
where: short stacking energy: -153.576
Base-Backbone interact. energy: -0.552
local terms energy: -149.795076
where:
bonds (distance) C4'-P energy: -28.039
bonds (distance) P-C4' energy: -27.476
flat angles C4'-P-C4' energy: -28.023
flat angles P-C4'-P energy: -20.774
tors. eta vs tors. theta energy: -45.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -518.978759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.978759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.978759 (E_RNA)
where:
Base-Base interactions energy: -365.522
where: short stacking energy: -139.375
Base-Backbone interact. energy: -0.160
local terms energy: -153.295893
where:
bonds (distance) C4'-P energy: -22.427
bonds (distance) P-C4' energy: -30.850
flat angles C4'-P-C4' energy: -30.589
flat angles P-C4'-P energy: -23.395
tors. eta vs tors. theta energy: -46.035
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: 447
Temperature: 1.050000
Total energy: -499.125679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.125679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.125679 (E_RNA)
where:
Base-Base interactions energy: -350.412
where: short stacking energy: -157.470
Base-Backbone interact. energy: -0.066
local terms energy: -148.647910
where:
bonds (distance) C4'-P energy: -24.207
bonds (distance) P-C4' energy: -23.839
flat angles C4'-P-C4' energy: -32.451
flat angles P-C4'-P energy: -17.213
tors. eta vs tors. theta energy: -50.937
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: 5, replica: 9
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -513.051111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.051111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.051111 (E_RNA)
where:
Base-Base interactions energy: -354.153
where: short stacking energy: -151.710
Base-Backbone interact. energy: -0.010
local terms energy: -158.888130
where:
bonds (distance) C4'-P energy: -28.816
bonds (distance) P-C4' energy: -29.382
flat angles C4'-P-C4' energy: -31.640
flat angles P-C4'-P energy: -20.904
tors. eta vs tors. theta energy: -48.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -423.157035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.157035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.157035 (E_RNA)
where:
Base-Base interactions energy: -296.161
where: short stacking energy: -131.943
Base-Backbone interact. energy: -0.426
local terms energy: -126.570959
where:
bonds (distance) C4'-P energy: -22.605
bonds (distance) P-C4' energy: -26.478
flat angles C4'-P-C4' energy: -24.730
flat angles P-C4'-P energy: -18.885
tors. eta vs tors. theta energy: -33.872
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: 2
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -398.575463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.575463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.575463 (E_RNA)
where:
Base-Base interactions energy: -285.623
where: short stacking energy: -108.782
Base-Backbone interact. energy: -0.065
local terms energy: -112.886878
where:
bonds (distance) C4'-P energy: -25.801
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -21.486
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -34.301
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: 10
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -331.188696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.188696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.188696 (E_RNA)
where:
Base-Base interactions energy: -219.691
where: short stacking energy: -101.050
Base-Backbone interact. energy: -0.014
local terms energy: -111.483612
where:
bonds (distance) C4'-P energy: -21.887
bonds (distance) P-C4' energy: -26.243
flat angles C4'-P-C4' energy: -28.331
flat angles P-C4'-P energy: -15.168
tors. eta vs tors. theta energy: -19.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -205.308569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.308569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.308569 (E_RNA)
where:
Base-Base interactions energy: -121.752
where: short stacking energy: -64.752
Base-Backbone interact. energy: 1.586
local terms energy: -85.143103
where:
bonds (distance) C4'-P energy: -23.713
bonds (distance) P-C4' energy: -20.463
flat angles C4'-P-C4' energy: -22.186
flat angles P-C4'-P energy: -14.591
tors. eta vs tors. theta energy: -4.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -150.715535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.715535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.715535 (E_RNA)
where:
Base-Base interactions energy: -76.389
where: short stacking energy: -43.344
Base-Backbone interact. energy: 1.793
local terms energy: -76.119141
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -24.472
flat angles C4'-P-C4' energy: -18.604
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -0.936
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 8
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -536.308484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.308484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.308484 (E_RNA)
where:
Base-Base interactions energy: -377.550
where: short stacking energy: -159.244
Base-Backbone interact. energy: -1.547
local terms energy: -157.211097
where:
bonds (distance) C4'-P energy: -27.765
bonds (distance) P-C4' energy: -28.927
flat angles C4'-P-C4' energy: -30.152
flat angles P-C4'-P energy: -22.343
tors. eta vs tors. theta energy: -48.024
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: 6
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -521.428264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.428264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.428264 (E_RNA)
where:
Base-Base interactions energy: -363.940
where: short stacking energy: -146.211
Base-Backbone interact. energy: -0.088
local terms energy: -157.400864
where:
bonds (distance) C4'-P energy: -31.853
bonds (distance) P-C4' energy: -30.748
flat angles C4'-P-C4' energy: -29.479
flat angles P-C4'-P energy: -21.714
tors. eta vs tors. theta energy: -43.606
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: 4
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -511.812560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.812560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.812560 (E_RNA)
where:
Base-Base interactions energy: -368.450
where: short stacking energy: -146.723
Base-Backbone interact. energy: -0.396
local terms energy: -142.965766
where:
bonds (distance) C4'-P energy: -24.470
bonds (distance) P-C4' energy: -27.669
flat angles C4'-P-C4' energy: -28.823
flat angles P-C4'-P energy: -19.904
tors. eta vs tors. theta energy: -42.099
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: 7
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -496.273481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.273481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.273481 (E_RNA)
where:
Base-Base interactions energy: -359.011
where: short stacking energy: -134.601
Base-Backbone interact. energy: -1.385
local terms energy: -135.877307
where:
bonds (distance) C4'-P energy: -24.487
bonds (distance) P-C4' energy: -23.218
flat angles C4'-P-C4' energy: -26.285
flat angles P-C4'-P energy: -19.249
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: 5, replica: 9
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -494.492102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.492102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.492102 (E_RNA)
where:
Base-Base interactions energy: -351.683
where: short stacking energy: -139.126
Base-Backbone interact. energy: -0.118
local terms energy: -142.690367
where:
bonds (distance) C4'-P energy: -25.601
bonds (distance) P-C4' energy: -29.029
flat angles C4'-P-C4' energy: -25.464
flat angles P-C4'-P energy: -22.263
tors. eta vs tors. theta energy: -40.334
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: 3
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -412.125785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.125785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.125785 (E_RNA)
where:
Base-Base interactions energy: -289.104
where: short stacking energy: -124.473
Base-Backbone interact. energy: -0.602
local terms energy: -122.419552
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -23.003
flat angles C4'-P-C4' energy: -29.808
flat angles P-C4'-P energy: -21.978
tors. eta vs tors. theta energy: -32.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -415.516618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.516618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.516618 (E_RNA)
where:
Base-Base interactions energy: -292.650
where: short stacking energy: -130.376
Base-Backbone interact. energy: -0.482
local terms energy: -122.385222
where:
bonds (distance) C4'-P energy: -30.268
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -24.289
flat angles P-C4'-P energy: -10.622
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: 10
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -336.728756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.728756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.728756 (E_RNA)
where:
Base-Base interactions energy: -215.791
where: short stacking energy: -98.734
Base-Backbone interact. energy: -0.128
local terms energy: -120.809679
where:
bonds (distance) C4'-P energy: -20.936
bonds (distance) P-C4' energy: -27.157
flat angles C4'-P-C4' energy: -27.322
flat angles P-C4'-P energy: -20.282
tors. eta vs tors. theta energy: -25.112
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: 1
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -182.423544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.423544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.423544 (E_RNA)
where:
Base-Base interactions energy: -82.008
where: short stacking energy: -59.711
Base-Backbone interact. energy: -0.720
local terms energy: -99.696147
where:
bonds (distance) C4'-P energy: -24.019
bonds (distance) P-C4' energy: -27.166
flat angles C4'-P-C4' energy: -26.243
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -10.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -189.447835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.447835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.447835 (E_RNA)
where:
Base-Base interactions energy: -106.494
where: short stacking energy: -63.021
Base-Backbone interact. energy: -0.612
local terms energy: -82.340901
where:
bonds (distance) C4'-P energy: -23.875
bonds (distance) P-C4' energy: -21.062
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -17.109
tors. eta vs tors. theta energy: -7.823
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 8
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -532.284753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.284753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.284753 (E_RNA)
where:
Base-Base interactions energy: -367.395
where: short stacking energy: -159.902
Base-Backbone interact. energy: -0.216
local terms energy: -164.673102
where:
bonds (distance) C4'-P energy: -26.738
bonds (distance) P-C4' energy: -30.528
flat angles C4'-P-C4' energy: -33.392
flat angles P-C4'-P energy: -26.760
tors. eta vs tors. theta energy: -47.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -517.835527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.835527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.835527 (E_RNA)
where:
Base-Base interactions energy: -363.872
where: short stacking energy: -151.133
Base-Backbone interact. energy: -0.677
local terms energy: -153.286436
where:
bonds (distance) C4'-P energy: -28.808
bonds (distance) P-C4' energy: -21.758
flat angles C4'-P-C4' energy: -31.782
flat angles P-C4'-P energy: -25.344
tors. eta vs tors. theta energy: -45.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -519.357462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.357462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.357462 (E_RNA)
where:
Base-Base interactions energy: -366.799
where: short stacking energy: -157.360
Base-Backbone interact. energy: -0.172
local terms energy: -152.386986
where:
bonds (distance) C4'-P energy: -24.551
bonds (distance) P-C4' energy: -33.199
flat angles C4'-P-C4' energy: -31.938
flat angles P-C4'-P energy: -19.990
tors. eta vs tors. theta energy: -42.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -504.956263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.956263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.956263 (E_RNA)
where:
Base-Base interactions energy: -357.825
where: short stacking energy: -140.722
Base-Backbone interact. energy: -0.250
local terms energy: -146.880859
where:
bonds (distance) C4'-P energy: -23.305
bonds (distance) P-C4' energy: -21.252
flat angles C4'-P-C4' energy: -34.316
flat angles P-C4'-P energy: -24.728
tors. eta vs tors. theta energy: -43.280
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: 7
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -503.947949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.947949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.947949 (E_RNA)
where:
Base-Base interactions energy: -353.777
where: short stacking energy: -151.580
Base-Backbone interact. energy: -0.011
local terms energy: -150.160074
where:
bonds (distance) C4'-P energy: -23.199
bonds (distance) P-C4' energy: -31.623
flat angles C4'-P-C4' energy: -28.029
flat angles P-C4'-P energy: -22.026
tors. eta vs tors. theta energy: -45.284
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: 2
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -442.284324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.284324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.284324 (E_RNA)
where:
Base-Base interactions energy: -292.748
where: short stacking energy: -127.791
Base-Backbone interact. energy: -0.686
local terms energy: -148.849868
where:
bonds (distance) C4'-P energy: -25.051
bonds (distance) P-C4' energy: -27.436
flat angles C4'-P-C4' energy: -33.404
flat angles P-C4'-P energy: -23.321
tors. eta vs tors. theta energy: -39.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -411.144052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.144052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.144052 (E_RNA)
where:
Base-Base interactions energy: -281.148
where: short stacking energy: -124.849
Base-Backbone interact. energy: -0.328
local terms energy: -129.668693
where:
bonds (distance) C4'-P energy: -25.586
bonds (distance) P-C4' energy: -25.228
flat angles C4'-P-C4' energy: -29.031
flat angles P-C4'-P energy: -15.610
tors. eta vs tors. theta energy: -34.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -334.623158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.623158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.623158 (E_RNA)
where:
Base-Base interactions energy: -236.351
where: short stacking energy: -98.316
Base-Backbone interact. energy: -1.719
local terms energy: -96.552614
where:
bonds (distance) C4'-P energy: -19.657
bonds (distance) P-C4' energy: -22.835
flat angles C4'-P-C4' energy: -21.153
flat angles P-C4'-P energy: -14.346
tors. eta vs tors. theta energy: -18.562
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: 449
Temperature: 1.300000
Total energy: -139.806149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.806149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.806149 (E_RNA)
where:
Base-Base interactions energy: -35.621
where: short stacking energy: -35.621
Base-Backbone interact. energy: -0.414
local terms energy: -103.770876
where:
bonds (distance) C4'-P energy: -27.622
bonds (distance) P-C4' energy: -31.820
flat angles C4'-P-C4' energy: -21.916
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -8.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -183.864551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.864551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.864551 (E_RNA)
where:
Base-Base interactions energy: -96.754
where: short stacking energy: -55.081
Base-Backbone interact. energy: 0.059
local terms energy: -87.170143
where:
bonds (distance) C4'-P energy: -20.596
bonds (distance) P-C4' energy: -29.474
flat angles C4'-P-C4' energy: -20.974
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -0.417
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 4
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -537.654431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.654431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.654431 (E_RNA)
where:
Base-Base interactions energy: -381.795
where: short stacking energy: -159.335
Base-Backbone interact. energy: -0.314
local terms energy: -155.546098
where:
bonds (distance) C4'-P energy: -31.498
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -34.528
flat angles P-C4'-P energy: -21.105
tors. eta vs tors. theta energy: -46.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -525.004215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.004215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.004215 (E_RNA)
where:
Base-Base interactions energy: -372.751
where: short stacking energy: -153.989
Base-Backbone interact. energy: -0.099
local terms energy: -152.154813
where:
bonds (distance) C4'-P energy: -26.563
bonds (distance) P-C4' energy: -28.543
flat angles C4'-P-C4' energy: -27.997
flat angles P-C4'-P energy: -21.030
tors. eta vs tors. theta energy: -48.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -517.318989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.318989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.318989 (E_RNA)
where:
Base-Base interactions energy: -364.921
where: short stacking energy: -158.196
Base-Backbone interact. energy: -0.016
local terms energy: -152.382006
where:
bonds (distance) C4'-P energy: -26.682
bonds (distance) P-C4' energy: -30.345
flat angles C4'-P-C4' energy: -31.364
flat angles P-C4'-P energy: -17.711
tors. eta vs tors. theta energy: -46.280
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: 450
Temperature: 1.050000
Total energy: -501.628279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.628279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.628279 (E_RNA)
where:
Base-Base interactions energy: -364.005
where: short stacking energy: -146.606
Base-Backbone interact. energy: -0.156
local terms energy: -137.467551
where:
bonds (distance) C4'-P energy: -19.994
bonds (distance) P-C4' energy: -28.125
flat angles C4'-P-C4' energy: -25.554
flat angles P-C4'-P energy: -22.216
tors. eta vs tors. theta energy: -41.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -508.618173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.618173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.618173 (E_RNA)
where:
Base-Base interactions energy: -364.234
where: short stacking energy: -149.661
Base-Backbone interact. energy: -0.238
local terms energy: -144.146965
where:
bonds (distance) C4'-P energy: -24.500
bonds (distance) P-C4' energy: -29.762
flat angles C4'-P-C4' energy: -27.501
flat angles P-C4'-P energy: -22.663
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: 6, replica: 2
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -438.009783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.009783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.009783 (E_RNA)
where:
Base-Base interactions energy: -298.594
where: short stacking energy: -127.898
Base-Backbone interact. energy: -0.079
local terms energy: -139.337294
where:
bonds (distance) C4'-P energy: -24.636
bonds (distance) P-C4' energy: -27.249
flat angles C4'-P-C4' energy: -32.223
flat angles P-C4'-P energy: -18.186
tors. eta vs tors. theta energy: -37.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -416.520154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.520154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.520154 (E_RNA)
where:
Base-Base interactions energy: -286.399
where: short stacking energy: -124.971
Base-Backbone interact. energy: -0.266
local terms energy: -129.854673
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -30.299
flat angles C4'-P-C4' energy: -27.817
flat angles P-C4'-P energy: -20.680
tors. eta vs tors. theta energy: -35.110
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: 10
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -333.188631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.188631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.188631 (E_RNA)
where:
Base-Base interactions energy: -223.697
where: short stacking energy: -97.130
Base-Backbone interact. energy: -0.536
local terms energy: -108.955631
where:
bonds (distance) C4'-P energy: -24.864
bonds (distance) P-C4' energy: -28.281
flat angles C4'-P-C4' energy: -21.950
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -24.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -154.971951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.971951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.971951 (E_RNA)
where:
Base-Base interactions energy: -64.378
where: short stacking energy: -54.897
Base-Backbone interact. energy: -0.212
local terms energy: -90.381950
where:
bonds (distance) C4'-P energy: -26.864
bonds (distance) P-C4' energy: -25.656
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -14.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -137.411512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.411512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.411512 (E_RNA)
where:
Base-Base interactions energy: -47.683
where: short stacking energy: -41.318
Base-Backbone interact. energy: 0.050
local terms energy: -89.778276
where:
bonds (distance) C4'-P energy: -27.828
bonds (distance) P-C4' energy: -22.598
flat angles C4'-P-C4' energy: -22.184
flat angles P-C4'-P energy: -12.726
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)