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/5uzt-ff71bff9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5uzt-ff71bff9/inputs/seq.fa: 1
curr_seq: _GGUGUUGACUGUUGAAUCUCAUGGCAACACC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGUUGACUGUUGAAUCUCAUGGCAACACC
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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/5uzt-ff71bff9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5uzt-ff71bff9/inputs/seq.fa: 1
curr_seq: _GGUGUUGACUGUUGAAUCUCAUGGCAACACC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGUUGACUGUUGAAUCUCAUGGCAACACC
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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/5uzt-ff71bff9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5uzt-ff71bff9/inputs/seq.fa: 1
curr_seq: _GGUGUUGACUGUUGAAUCUCAUGGCAACACC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGUUGACUGUUGAAUCUCAUGGCAACACC
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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/5uzt-ff71bff9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5uzt-ff71bff9/inputs/seq.fa: 1
curr_seq: _GGUGUUGACUGUUGAAUCUCAUGGCAACACC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGUUGACUGUUGAAUCUCAUGGCAACACC
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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/5uzt-ff71bff9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5uzt-ff71bff9/inputs/seq.fa: 1
curr_seq: _GGUGUUGACUGUUGAAUCUCAUGGCAACACC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGUUGACUGUUGAAUCUCAUGGCAACACC
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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/5uzt-ff71bff9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5uzt-ff71bff9/inputs/seq.fa: 1
curr_seq: _GGUGUUGACUGUUGAAUCUCAUGGCAACACC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGUUGACUGUUGAAUCUCAUGGCAACACC
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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/5uzt-ff71bff9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5uzt-ff71bff9/inputs/seq.fa: 1
curr_seq: _GGUGUUGACUGUUGAAUCUCAUGGCAACACC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGUUGACUGUUGAAUCUCAUGGCAACACC
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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/5uzt-ff71bff9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5uzt-ff71bff9/inputs/seq.fa: 1
curr_seq: _GGUGUUGACUGUUGAAUCUCAUGGCAACACC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGUUGACUGUUGAAUCUCAUGGCAACACC
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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/5uzt-ff71bff9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5uzt-ff71bff9/inputs/seq.fa: 1
curr_seq: _GGUGUUGACUGUUGAAUCUCAUGGCAACACC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGUUGACUGUUGAAUCUCAUGGCAACACC
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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/5uzt-ff71bff9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5uzt-ff71bff9/inputs/seq.fa: 1
curr_seq: _GGUGUUGACUGUUGAAUCUCAUGGCAACACC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGUUGACUGUUGAAUCUCAUGGCAACACC
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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: -118.511776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.511776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.511776 (E_RNA)
where:
Base-Base interactions energy: -3.406
where: short stacking energy: -3.406
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -118.511776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.511776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.511776 (E_RNA)
where:
Base-Base interactions energy: -3.406
where: short stacking energy: -3.406
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -118.511776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.511776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.511776 (E_RNA)
where:
Base-Base interactions energy: -3.406
where: short stacking energy: -3.406
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -118.511776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.511776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.511776 (E_RNA)
where:
Base-Base interactions energy: -3.406
where: short stacking energy: -3.406
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -118.511776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.511776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.511776 (E_RNA)
where:
Base-Base interactions energy: -3.406
where: short stacking energy: -3.406
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -118.511776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.511776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.511776 (E_RNA)
where:
Base-Base interactions energy: -3.406
where: short stacking energy: -3.406
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -118.511776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.511776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.511776 (E_RNA)
where:
Base-Base interactions energy: -3.406
where: short stacking energy: -3.406
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -118.511776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.511776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.511776 (E_RNA)
where:
Base-Base interactions energy: -3.406
where: short stacking energy: -3.406
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -118.511776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.511776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.511776 (E_RNA)
where:
Base-Base interactions energy: -3.406
where: short stacking energy: -3.406
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -118.511776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.511776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.511776 (E_RNA)
where:
Base-Base interactions energy: -3.406
where: short stacking energy: -3.406
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -206.314834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.314834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.314834 (E_RNA)
where:
Base-Base interactions energy: -100.576
where: short stacking energy: -100.576
Base-Backbone interact. energy: -0.010
local terms energy: -105.729091
where:
bonds (distance) C4'-P energy: -18.216
bonds (distance) P-C4' energy: -20.379
flat angles C4'-P-C4' energy: -23.927
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -29.943
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: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -166.592505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.592505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.592505 (E_RNA)
where:
Base-Base interactions energy: -72.832
where: short stacking energy: -72.832
Base-Backbone interact. energy: -0.258
local terms energy: -93.502626
where:
bonds (distance) C4'-P energy: -21.873
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -21.370
flat angles P-C4'-P energy: -15.869
tors. eta vs tors. theta energy: -16.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -159.296922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.296922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.296922 (E_RNA)
where:
Base-Base interactions energy: -81.214
where: short stacking energy: -69.163
Base-Backbone interact. energy: -0.235
local terms energy: -77.847357
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -23.061
flat angles C4'-P-C4' energy: -23.466
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -9.586
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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -165.574152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.574152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.574152 (E_RNA)
where:
Base-Base interactions energy: -64.152
where: short stacking energy: -64.152
Base-Backbone interact. energy: -0.077
local terms energy: -101.345998
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -23.611
flat angles C4'-P-C4' energy: -23.725
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: -19.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -131.095341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.095341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.095341 (E_RNA)
where:
Base-Base interactions energy: -63.482
where: short stacking energy: -53.059
Base-Backbone interact. energy: -0.683
local terms energy: -66.930989
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -18.961
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -3.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -140.609038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.609038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.609038 (E_RNA)
where:
Base-Base interactions energy: -60.348
where: short stacking energy: -60.348
Base-Backbone interact. energy: -0.008
local terms energy: -80.253159
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -14.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -123.523597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.523597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.523597 (E_RNA)
where:
Base-Base interactions energy: -57.055
where: short stacking energy: -46.655
Base-Backbone interact. energy: 0.279
local terms energy: -66.747395
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -18.944
flat angles C4'-P-C4' energy: -18.946
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -4.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -131.134774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.134774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.134774 (E_RNA)
where:
Base-Base interactions energy: -66.511
where: short stacking energy: -34.312
Base-Backbone interact. energy: -0.540
local terms energy: -64.084026
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -22.021
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -3.703
tors. eta vs tors. theta energy: -6.425
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -119.369411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.369411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.369411 (E_RNA)
where:
Base-Base interactions energy: -4.877
where: short stacking energy: -4.877
Base-Backbone interact. energy: -0.000
local terms energy: -114.491959
where:
bonds (distance) C4'-P energy: -30.003
bonds (distance) P-C4' energy: -28.622
flat angles C4'-P-C4' energy: -22.176
flat angles P-C4'-P energy: -25.962
tors. eta vs tors. theta energy: -7.729
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -119.406686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.406686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.406686 (E_RNA)
where:
Base-Base interactions energy: -4.877
where: short stacking energy: -4.877
Base-Backbone interact. energy: -0.000
local terms energy: -114.529201
where:
bonds (distance) C4'-P energy: -30.003
bonds (distance) P-C4' energy: -28.622
flat angles C4'-P-C4' energy: -22.176
flat angles P-C4'-P energy: -25.999
tors. eta vs tors. theta energy: -7.729
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -195.909791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.909791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.909791 (E_RNA)
where:
Base-Base interactions energy: -93.095
where: short stacking energy: -83.876
Base-Backbone interact. energy: -0.144
local terms energy: -102.670785
where:
bonds (distance) C4'-P energy: -21.698
bonds (distance) P-C4' energy: -24.387
flat angles C4'-P-C4' energy: -22.827
flat angles P-C4'-P energy: -15.046
tors. eta vs tors. theta energy: -18.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -178.048324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.048324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.048324 (E_RNA)
where:
Base-Base interactions energy: -85.361
where: short stacking energy: -80.441
Base-Backbone interact. energy: -0.002
local terms energy: -92.686043
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -21.860
flat angles C4'-P-C4' energy: -23.994
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -17.516
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: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -177.787300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.787300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.787300 (E_RNA)
where:
Base-Base interactions energy: -97.007
where: short stacking energy: -48.758
Base-Backbone interact. energy: -0.748
local terms energy: -80.032206
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -22.357
flat angles C4'-P-C4' energy: -19.830
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -9.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -175.089754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.089754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.089754 (E_RNA)
where:
Base-Base interactions energy: -98.674
where: short stacking energy: -51.636
Base-Backbone interact. energy: 0.527
local terms energy: -76.942012
where:
bonds (distance) C4'-P energy: -18.973
bonds (distance) P-C4' energy: -22.620
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -7.395
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: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -186.065143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.065143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.065143 (E_RNA)
where:
Base-Base interactions energy: -106.231
where: short stacking energy: -53.746
Base-Backbone interact. energy: -0.103
local terms energy: -79.731075
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -22.191
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: -8.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -141.660001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.660001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.660001 (E_RNA)
where:
Base-Base interactions energy: -66.176
where: short stacking energy: -47.458
Base-Backbone interact. energy: -0.240
local terms energy: -75.243697
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -22.287
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -9.852
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: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -131.398413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.398413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.398413 (E_RNA)
where:
Base-Base interactions energy: -55.632
where: short stacking energy: -43.705
Base-Backbone interact. energy: -0.767
local terms energy: -74.999355
where:
bonds (distance) C4'-P energy: -24.117
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -114.207833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.207833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.207833 (E_RNA)
where:
Base-Base interactions energy: -38.543
where: short stacking energy: -30.775
Base-Backbone interact. energy: -1.265
local terms energy: -74.399702
where:
bonds (distance) C4'-P energy: -23.860
bonds (distance) P-C4' energy: -21.390
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -3.418
tors. eta vs tors. theta energy: -8.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -119.914161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.914161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.914161 (E_RNA)
where:
Base-Base interactions energy: -40.226
where: short stacking energy: -34.041
Base-Backbone interact. energy: -0.053
local terms energy: -79.635248
where:
bonds (distance) C4'-P energy: -19.955
bonds (distance) P-C4' energy: -18.951
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -16.433
tors. eta vs tors. theta energy: -7.056
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: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -103.249693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.249693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.249693 (E_RNA)
where:
Base-Base interactions energy: -33.451
where: short stacking energy: -33.559
Base-Backbone interact. energy: -0.165
local terms energy: -69.633652
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -22.870
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -3.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -195.590748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.590748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.590748 (E_RNA)
where:
Base-Base interactions energy: -86.460
where: short stacking energy: -82.946
Base-Backbone interact. energy: -0.080
local terms energy: -109.051636
where:
bonds (distance) C4'-P energy: -22.245
bonds (distance) P-C4' energy: -23.764
flat angles C4'-P-C4' energy: -22.604
flat angles P-C4'-P energy: -17.567
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: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -222.375747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.375747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.375747 (E_RNA)
where:
Base-Base interactions energy: -113.116
where: short stacking energy: -86.024
Base-Backbone interact. energy: -0.072
local terms energy: -109.187687
where:
bonds (distance) C4'-P energy: -22.527
bonds (distance) P-C4' energy: -23.218
flat angles C4'-P-C4' energy: -24.426
flat angles P-C4'-P energy: -15.781
tors. eta vs tors. theta energy: -23.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -233.611910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.611910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.611910 (E_RNA)
where:
Base-Base interactions energy: -139.060
where: short stacking energy: -79.325
Base-Backbone interact. energy: -0.305
local terms energy: -94.246410
where:
bonds (distance) C4'-P energy: -24.188
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -20.857
flat angles P-C4'-P energy: -13.949
tors. eta vs tors. theta energy: -15.733
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: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -258.242181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.242181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.242181 (E_RNA)
where:
Base-Base interactions energy: -166.887
where: short stacking energy: -78.568
Base-Backbone interact. energy: -0.115
local terms energy: -91.239801
where:
bonds (distance) C4'-P energy: -20.540
bonds (distance) P-C4' energy: -23.247
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -10.444
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: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -167.456604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.456604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.456604 (E_RNA)
where:
Base-Base interactions energy: -77.305
where: short stacking energy: -57.317
Base-Backbone interact. energy: -0.703
local terms energy: -89.448379
where:
bonds (distance) C4'-P energy: -19.708
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -21.470
flat angles P-C4'-P energy: -16.484
tors. eta vs tors. theta energy: -13.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -158.581564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.581564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.581564 (E_RNA)
where:
Base-Base interactions energy: -79.423
where: short stacking energy: -63.497
Base-Backbone interact. energy: -0.222
local terms energy: -78.937242
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -20.105
flat angles C4'-P-C4' energy: -20.700
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -9.007
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: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -118.388791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.388791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.388791 (E_RNA)
where:
Base-Base interactions energy: -56.722
where: short stacking energy: -25.195
Base-Backbone interact. energy: -0.447
local terms energy: -61.219944
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -20.354
flat angles C4'-P-C4' energy: -10.034
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -2.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -121.654021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.654021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.654021 (E_RNA)
where:
Base-Base interactions energy: -61.081
where: short stacking energy: -41.920
Base-Backbone interact. energy: -1.254
local terms energy: -59.319283
where:
bonds (distance) C4'-P energy: -20.883
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -8.526
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: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -115.326625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.326625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.326625 (E_RNA)
where:
Base-Base interactions energy: -52.947
where: short stacking energy: -39.581
Base-Backbone interact. energy: -0.203
local terms energy: -62.176278
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -20.643
flat angles P-C4'-P energy: -7.446
tors. eta vs tors. theta energy: 0.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -107.334157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.334157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.334157 (E_RNA)
where:
Base-Base interactions energy: -34.851
where: short stacking energy: -31.772
Base-Backbone interact. energy: -0.066
local terms energy: -72.416825
where:
bonds (distance) C4'-P energy: -18.341
bonds (distance) P-C4' energy: -22.185
flat angles C4'-P-C4' energy: -18.866
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: 0.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -180.810790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.810790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.810790 (E_RNA)
where:
Base-Base interactions energy: -81.464
where: short stacking energy: -64.241
Base-Backbone interact. energy: -0.793
local terms energy: -98.553036
where:
bonds (distance) C4'-P energy: -23.335
bonds (distance) P-C4' energy: -27.359
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -15.685
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: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -291.682239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.682239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.682239 (E_RNA)
where:
Base-Base interactions energy: -184.535
where: short stacking energy: -93.138
Base-Backbone interact. energy: -0.012
local terms energy: -107.135693
where:
bonds (distance) C4'-P energy: -20.954
bonds (distance) P-C4' energy: -22.436
flat angles C4'-P-C4' energy: -21.370
flat angles P-C4'-P energy: -15.494
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: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -219.719234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.719234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.719234 (E_RNA)
where:
Base-Base interactions energy: -130.805
where: short stacking energy: -67.178
Base-Backbone interact. energy: 0.527
local terms energy: -89.441037
where:
bonds (distance) C4'-P energy: -21.435
bonds (distance) P-C4' energy: -25.435
flat angles C4'-P-C4' energy: -19.270
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -12.195
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: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -274.220744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.220744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.220744 (E_RNA)
where:
Base-Base interactions energy: -183.741
where: short stacking energy: -75.615
Base-Backbone interact. energy: 1.507
local terms energy: -91.986686
where:
bonds (distance) C4'-P energy: -20.342
bonds (distance) P-C4' energy: -21.154
flat angles C4'-P-C4' energy: -19.212
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -16.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -159.915431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.915431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.915431 (E_RNA)
where:
Base-Base interactions energy: -77.634
where: short stacking energy: -51.291
Base-Backbone interact. energy: -0.446
local terms energy: -81.836090
where:
bonds (distance) C4'-P energy: -18.396
bonds (distance) P-C4' energy: -23.623
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -7.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -183.188435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.188435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.188435 (E_RNA)
where:
Base-Base interactions energy: -101.650
where: short stacking energy: -43.392
Base-Backbone interact. energy: -0.664
local terms energy: -80.873899
where:
bonds (distance) C4'-P energy: -22.900
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -14.558
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: 6
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -131.266116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.266116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.266116 (E_RNA)
where:
Base-Base interactions energy: -49.340
where: short stacking energy: -47.685
Base-Backbone interact. energy: -0.407
local terms energy: -81.518746
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -21.795
flat angles C4'-P-C4' energy: -20.054
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -14.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -113.660154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.660154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.660154 (E_RNA)
where:
Base-Base interactions energy: -38.143
where: short stacking energy: -31.597
Base-Backbone interact. energy: -0.425
local terms energy: -75.092244
where:
bonds (distance) C4'-P energy: -19.331
bonds (distance) P-C4' energy: -20.826
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -16.571
tors. eta vs tors. theta energy: 0.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -112.024486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.024486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.024486 (E_RNA)
where:
Base-Base interactions energy: -45.186
where: short stacking energy: -37.205
Base-Backbone interact. energy: -0.167
local terms energy: -66.672231
where:
bonds (distance) C4'-P energy: -20.859
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: 0.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -113.956282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.956282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.956282 (E_RNA)
where:
Base-Base interactions energy: -47.303
where: short stacking energy: -40.639
Base-Backbone interact. energy: -0.085
local terms energy: -66.568998
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -9.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -294.098569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.098569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.098569 (E_RNA)
where:
Base-Base interactions energy: -190.680
where: short stacking energy: -106.923
Base-Backbone interact. energy: -0.045
local terms energy: -103.373925
where:
bonds (distance) C4'-P energy: -19.798
bonds (distance) P-C4' energy: -24.007
flat angles C4'-P-C4' energy: -22.010
flat angles P-C4'-P energy: -11.911
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: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -203.353305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.353305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.353305 (E_RNA)
where:
Base-Base interactions energy: -103.819
where: short stacking energy: -67.225
Base-Backbone interact. energy: -1.479
local terms energy: -98.055118
where:
bonds (distance) C4'-P energy: -21.017
bonds (distance) P-C4' energy: -24.769
flat angles C4'-P-C4' energy: -20.030
flat angles P-C4'-P energy: -15.873
tors. eta vs tors. theta energy: -16.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -285.042021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.042021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.042021 (E_RNA)
where:
Base-Base interactions energy: -182.932
where: short stacking energy: -83.603
Base-Backbone interact. energy: -0.025
local terms energy: -102.085334
where:
bonds (distance) C4'-P energy: -24.308
bonds (distance) P-C4' energy: -17.814
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -18.824
tors. eta vs tors. theta energy: -25.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -240.239924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.239924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.239924 (E_RNA)
where:
Base-Base interactions energy: -149.126
where: short stacking energy: -74.732
Base-Backbone interact. energy: -0.528
local terms energy: -90.585932
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -23.973
flat angles C4'-P-C4' energy: -22.329
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -12.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -205.812490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.812490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.812490 (E_RNA)
where:
Base-Base interactions energy: -117.724
where: short stacking energy: -59.345
Base-Backbone interact. energy: -1.041
local terms energy: -87.047674
where:
bonds (distance) C4'-P energy: -20.948
bonds (distance) P-C4' energy: -21.083
flat angles C4'-P-C4' energy: -19.883
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -14.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -160.668845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.668845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.668845 (E_RNA)
where:
Base-Base interactions energy: -82.521
where: short stacking energy: -53.541
Base-Backbone interact. energy: -0.180
local terms energy: -77.967780
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -19.148
flat angles C4'-P-C4' energy: -21.809
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -8.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -131.797001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.797001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.797001 (E_RNA)
where:
Base-Base interactions energy: -58.416
where: short stacking energy: -49.701
Base-Backbone interact. energy: 0.299
local terms energy: -73.679249
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -21.481
flat angles C4'-P-C4' energy: -9.020
flat angles P-C4'-P energy: -17.803
tors. eta vs tors. theta energy: -7.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -112.161740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.161740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.161740 (E_RNA)
where:
Base-Base interactions energy: -35.464
where: short stacking energy: -22.059
Base-Backbone interact. energy: -1.684
local terms energy: -75.013850
where:
bonds (distance) C4'-P energy: -20.430
bonds (distance) P-C4' energy: -21.236
flat angles C4'-P-C4' energy: -23.352
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -1.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -133.496982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.496982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.496982 (E_RNA)
where:
Base-Base interactions energy: -61.045
where: short stacking energy: -34.857
Base-Backbone interact. energy: -0.463
local terms energy: -71.988887
where:
bonds (distance) C4'-P energy: -19.943
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -19.298
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -4.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -110.255990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.255990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.255990 (E_RNA)
where:
Base-Base interactions energy: -60.819
where: short stacking energy: -25.728
Base-Backbone interact. energy: 0.664
local terms energy: -50.101671
where:
bonds (distance) C4'-P energy: -19.120
bonds (distance) P-C4' energy: -9.875
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -7.419
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: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -306.267536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.267536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.267536 (E_RNA)
where:
Base-Base interactions energy: -201.370
where: short stacking energy: -98.505
Base-Backbone interact. energy: -0.374
local terms energy: -104.524156
where:
bonds (distance) C4'-P energy: -22.874
bonds (distance) P-C4' energy: -20.976
flat angles C4'-P-C4' energy: -19.974
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -29.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -295.897229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.897229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.897229 (E_RNA)
where:
Base-Base interactions energy: -194.414
where: short stacking energy: -87.862
Base-Backbone interact. energy: -0.230
local terms energy: -101.253207
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -21.253
flat angles C4'-P-C4' energy: -22.169
flat angles P-C4'-P energy: -14.164
tors. eta vs tors. theta energy: -25.638
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: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -205.044786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.044786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.044786 (E_RNA)
where:
Base-Base interactions energy: -108.980
where: short stacking energy: -68.967
Base-Backbone interact. energy: 0.239
local terms energy: -96.303376
where:
bonds (distance) C4'-P energy: -19.992
bonds (distance) P-C4' energy: -22.767
flat angles C4'-P-C4' energy: -23.598
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -16.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -243.182286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.182286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.182286 (E_RNA)
where:
Base-Base interactions energy: -141.218
where: short stacking energy: -68.181
Base-Backbone interact. energy: -0.271
local terms energy: -101.693327
where:
bonds (distance) C4'-P energy: -26.115
bonds (distance) P-C4' energy: -23.138
flat angles C4'-P-C4' energy: -23.974
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -14.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -227.308567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.308567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.308567 (E_RNA)
where:
Base-Base interactions energy: -130.500
where: short stacking energy: -65.044
Base-Backbone interact. energy: 0.606
local terms energy: -97.414497
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -23.226
flat angles C4'-P-C4' energy: -19.245
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: -21.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -196.295212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.295212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.295212 (E_RNA)
where:
Base-Base interactions energy: -108.056
where: short stacking energy: -73.963
Base-Backbone interact. energy: -0.234
local terms energy: -88.005017
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -22.636
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -16.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -123.829717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.829717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.829717 (E_RNA)
where:
Base-Base interactions energy: -56.011
where: short stacking energy: -53.251
Base-Backbone interact. energy: -0.218
local terms energy: -67.600658
where:
bonds (distance) C4'-P energy: -20.796
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -6.786
tors. eta vs tors. theta energy: -7.251
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: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -153.531578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.531578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.531578 (E_RNA)
where:
Base-Base interactions energy: -85.698
where: short stacking energy: -55.487
Base-Backbone interact. energy: -0.901
local terms energy: -66.932057
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -21.498
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -4.786
tors. eta vs tors. theta energy: -7.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -123.037278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.037278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.037278 (E_RNA)
where:
Base-Base interactions energy: -47.451
where: short stacking energy: -31.258
Base-Backbone interact. energy: 0.309
local terms energy: -75.895041
where:
bonds (distance) C4'-P energy: -23.012
bonds (distance) P-C4' energy: -21.739
flat angles C4'-P-C4' energy: -21.469
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: 2.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -131.117824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.117824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.117824 (E_RNA)
where:
Base-Base interactions energy: -62.629
where: short stacking energy: -41.643
Base-Backbone interact. energy: -0.147
local terms energy: -68.342089
where:
bonds (distance) C4'-P energy: -18.411
bonds (distance) P-C4' energy: -22.058
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -4.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -320.925972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.925972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.925972 (E_RNA)
where:
Base-Base interactions energy: -214.151
where: short stacking energy: -99.902
Base-Backbone interact. energy: -0.773
local terms energy: -106.002407
where:
bonds (distance) C4'-P energy: -22.924
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -16.051
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: 2, replica: 4
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -284.097876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.097876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.097876 (E_RNA)
where:
Base-Base interactions energy: -184.485
where: short stacking energy: -93.110
Base-Backbone interact. energy: 0.160
local terms energy: -99.773045
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -22.295
flat angles C4'-P-C4' energy: -24.706
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -25.000
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: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -252.597296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.597296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.597296 (E_RNA)
where:
Base-Base interactions energy: -153.192
where: short stacking energy: -78.053
Base-Backbone interact. energy: -0.009
local terms energy: -99.396029
where:
bonds (distance) C4'-P energy: -20.309
bonds (distance) P-C4' energy: -25.144
flat angles C4'-P-C4' energy: -21.548
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -19.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -230.816107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.816107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.816107 (E_RNA)
where:
Base-Base interactions energy: -142.881
where: short stacking energy: -76.778
Base-Backbone interact. energy: -0.108
local terms energy: -87.827126
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -20.077
flat angles C4'-P-C4' energy: -20.531
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -17.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -242.521041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.521041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.521041 (E_RNA)
where:
Base-Base interactions energy: -140.440
where: short stacking energy: -70.610
Base-Backbone interact. energy: -0.681
local terms energy: -101.399788
where:
bonds (distance) C4'-P energy: -23.232
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -21.092
flat angles P-C4'-P energy: -16.013
tors. eta vs tors. theta energy: -23.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -187.288386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.288386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.288386 (E_RNA)
where:
Base-Base interactions energy: -103.797
where: short stacking energy: -41.464
Base-Backbone interact. energy: -1.065
local terms energy: -82.426363
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -18.316
flat angles C4'-P-C4' energy: -19.589
flat angles P-C4'-P energy: -16.270
tors. eta vs tors. theta energy: -10.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -164.741354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.741354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.741354 (E_RNA)
where:
Base-Base interactions energy: -85.964
where: short stacking energy: -56.482
Base-Backbone interact. energy: -0.036
local terms energy: -78.741255
where:
bonds (distance) C4'-P energy: -22.630
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -13.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -120.499924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.499924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.499924 (E_RNA)
where:
Base-Base interactions energy: -48.897
where: short stacking energy: -31.486
Base-Backbone interact. energy: -0.309
local terms energy: -71.293906
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -5.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -108.937190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.937190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.937190 (E_RNA)
where:
Base-Base interactions energy: -31.107
where: short stacking energy: -28.847
Base-Backbone interact. energy: -0.202
local terms energy: -77.627445
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -22.535
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -5.314
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: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -100.100124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.100124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.100124 (E_RNA)
where:
Base-Base interactions energy: -22.486
where: short stacking energy: -21.494
Base-Backbone interact. energy: -0.076
local terms energy: -77.538509
where:
bonds (distance) C4'-P energy: -21.868
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -20.341
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -4.658
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: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -318.775502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.775502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.775502 (E_RNA)
where:
Base-Base interactions energy: -216.812
where: short stacking energy: -98.107
Base-Backbone interact. energy: -0.127
local terms energy: -101.836311
where:
bonds (distance) C4'-P energy: -23.107
bonds (distance) P-C4' energy: -24.313
flat angles C4'-P-C4' energy: -18.127
flat angles P-C4'-P energy: -14.973
tors. eta vs tors. theta energy: -21.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -261.300758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.300758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.300758 (E_RNA)
where:
Base-Base interactions energy: -164.091
where: short stacking energy: -76.903
Base-Backbone interact. energy: -0.013
local terms energy: -97.196341
where:
bonds (distance) C4'-P energy: -22.780
bonds (distance) P-C4' energy: -20.966
flat angles C4'-P-C4' energy: -23.855
flat angles P-C4'-P energy: -14.206
tors. eta vs tors. theta energy: -15.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -314.385017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.385017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.385017 (E_RNA)
where:
Base-Base interactions energy: -202.253
where: short stacking energy: -89.232
Base-Backbone interact. energy: -0.110
local terms energy: -112.021938
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -25.287
flat angles C4'-P-C4' energy: -22.091
flat angles P-C4'-P energy: -15.297
tors. eta vs tors. theta energy: -30.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -239.251840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.251840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.251840 (E_RNA)
where:
Base-Base interactions energy: -142.978
where: short stacking energy: -77.295
Base-Backbone interact. energy: -0.002
local terms energy: -96.271964
where:
bonds (distance) C4'-P energy: -23.712
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -14.708
tors. eta vs tors. theta energy: -25.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -230.749238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.749238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.749238 (E_RNA)
where:
Base-Base interactions energy: -139.073
where: short stacking energy: -72.323
Base-Backbone interact. energy: 0.069
local terms energy: -91.744983
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -20.878
flat angles C4'-P-C4' energy: -20.181
flat angles P-C4'-P energy: -15.885
tors. eta vs tors. theta energy: -17.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -171.255965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.255965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.255965 (E_RNA)
where:
Base-Base interactions energy: -88.790
where: short stacking energy: -43.647
Base-Backbone interact. energy: -0.958
local terms energy: -81.507916
where:
bonds (distance) C4'-P energy: -21.496
bonds (distance) P-C4' energy: -23.389
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -9.879
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: 5
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -151.022174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.022174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.022174 (E_RNA)
where:
Base-Base interactions energy: -78.204
where: short stacking energy: -45.625
Base-Backbone interact. energy: -0.212
local terms energy: -72.606363
where:
bonds (distance) C4'-P energy: -22.108
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -13.480
tors. eta vs tors. theta energy: -0.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -112.073264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.073264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.073264 (E_RNA)
where:
Base-Base interactions energy: -46.270
where: short stacking energy: -24.362
Base-Backbone interact. energy: 1.262
local terms energy: -67.065034
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -23.126
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -3.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -148.244862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.244862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.244862 (E_RNA)
where:
Base-Base interactions energy: -81.657
where: short stacking energy: -39.471
Base-Backbone interact. energy: -0.288
local terms energy: -66.299622
where:
bonds (distance) C4'-P energy: -19.719
bonds (distance) P-C4' energy: -24.691
flat angles C4'-P-C4' energy: -7.032
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -1.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -105.017364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.017364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.017364 (E_RNA)
where:
Base-Base interactions energy: -27.548
where: short stacking energy: -27.548
Base-Backbone interact. energy: -0.177
local terms energy: -77.293090
where:
bonds (distance) C4'-P energy: -20.912
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -23.150
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -6.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -322.284219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.284219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.284219 (E_RNA)
where:
Base-Base interactions energy: -211.789
where: short stacking energy: -103.879
Base-Backbone interact. energy: -2.693
local terms energy: -107.801558
where:
bonds (distance) C4'-P energy: -18.732
bonds (distance) P-C4' energy: -21.262
flat angles C4'-P-C4' energy: -22.410
flat angles P-C4'-P energy: -16.087
tors. eta vs tors. theta energy: -29.311
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: 2, replica: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -276.274859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.274859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.274859 (E_RNA)
where:
Base-Base interactions energy: -179.913
where: short stacking energy: -83.003
Base-Backbone interact. energy: -0.479
local terms energy: -95.883051
where:
bonds (distance) C4'-P energy: -20.591
bonds (distance) P-C4' energy: -19.491
flat angles C4'-P-C4' energy: -19.195
flat angles P-C4'-P energy: -16.185
tors. eta vs tors. theta energy: -20.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -261.636130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.636130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.636130 (E_RNA)
where:
Base-Base interactions energy: -160.507
where: short stacking energy: -77.162
Base-Backbone interact. energy: -0.262
local terms energy: -100.867358
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -26.097
flat angles C4'-P-C4' energy: -19.274
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -23.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -296.408155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.408155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.408155 (E_RNA)
where:
Base-Base interactions energy: -189.044
where: short stacking energy: -91.487
Base-Backbone interact. energy: -0.096
local terms energy: -107.268252
where:
bonds (distance) C4'-P energy: -20.857
bonds (distance) P-C4' energy: -21.869
flat angles C4'-P-C4' energy: -24.085
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -28.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -247.923521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.923521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.923521 (E_RNA)
where:
Base-Base interactions energy: -153.488
where: short stacking energy: -92.226
Base-Backbone interact. energy: -0.087
local terms energy: -94.347852
where:
bonds (distance) C4'-P energy: -19.099
bonds (distance) P-C4' energy: -21.303
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -28.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -166.219461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.219461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.219461 (E_RNA)
where:
Base-Base interactions energy: -87.565
where: short stacking energy: -54.159
Base-Backbone interact. energy: -0.178
local terms energy: -78.476049
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -20.194
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -9.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -164.338264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.338264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.338264 (E_RNA)
where:
Base-Base interactions energy: -86.796
where: short stacking energy: -59.325
Base-Backbone interact. energy: -0.214
local terms energy: -77.328615
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -19.720
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -11.493
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: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -153.715311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.715311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.715311 (E_RNA)
where:
Base-Base interactions energy: -70.664
where: short stacking energy: -37.303
Base-Backbone interact. energy: -1.011
local terms energy: -82.040502
where:
bonds (distance) C4'-P energy: -19.147
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -13.742
tors. eta vs tors. theta energy: -6.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -108.323123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.323123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.323123 (E_RNA)
where:
Base-Base interactions energy: -35.297
where: short stacking energy: -35.297
Base-Backbone interact. energy: 0.271
local terms energy: -73.297873
where:
bonds (distance) C4'-P energy: -22.966
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -98.288552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.288552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.288552 (E_RNA)
where:
Base-Base interactions energy: -41.189
where: short stacking energy: -37.360
Base-Backbone interact. energy: -0.396
local terms energy: -56.704087
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -10.905
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -6.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -315.520893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.520893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.520893 (E_RNA)
where:
Base-Base interactions energy: -206.593
where: short stacking energy: -98.679
Base-Backbone interact. energy: -0.962
local terms energy: -107.966551
where:
bonds (distance) C4'-P energy: -22.888
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -23.865
flat angles P-C4'-P energy: -14.359
tors. eta vs tors. theta energy: -27.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -305.403347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.403347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.403347 (E_RNA)
where:
Base-Base interactions energy: -202.568
where: short stacking energy: -84.763
Base-Backbone interact. energy: -0.157
local terms energy: -102.678521
where:
bonds (distance) C4'-P energy: -23.580
bonds (distance) P-C4' energy: -22.356
flat angles C4'-P-C4' energy: -22.598
flat angles P-C4'-P energy: -12.004
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: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -267.416125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.416125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.416125 (E_RNA)
where:
Base-Base interactions energy: -169.639
where: short stacking energy: -81.169
Base-Backbone interact. energy: -0.300
local terms energy: -97.477036
where:
bonds (distance) C4'-P energy: -20.801
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -19.174
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: -21.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -289.362779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.362779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.362779 (E_RNA)
where:
Base-Base interactions energy: -188.045
where: short stacking energy: -83.731
Base-Backbone interact. energy: -0.012
local terms energy: -101.306005
where:
bonds (distance) C4'-P energy: -22.079
bonds (distance) P-C4' energy: -20.732
flat angles C4'-P-C4' energy: -21.217
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -26.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -214.055836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.055836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.055836 (E_RNA)
where:
Base-Base interactions energy: -128.326
where: short stacking energy: -77.660
Base-Backbone interact. energy: -0.219
local terms energy: -85.511189
where:
bonds (distance) C4'-P energy: -18.202
bonds (distance) P-C4' energy: -19.019
flat angles C4'-P-C4' energy: -19.398
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -18.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -189.365596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.365596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.365596 (E_RNA)
where:
Base-Base interactions energy: -107.273
where: short stacking energy: -66.888
Base-Backbone interact. energy: -0.703
local terms energy: -81.389597
where:
bonds (distance) C4'-P energy: -22.427
bonds (distance) P-C4' energy: -19.585
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -11.748
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: 5
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -157.829664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.829664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.829664 (E_RNA)
where:
Base-Base interactions energy: -79.237
where: short stacking energy: -48.303
Base-Backbone interact. energy: -0.273
local terms energy: -78.319634
where:
bonds (distance) C4'-P energy: -20.029
bonds (distance) P-C4' energy: -19.692
flat angles C4'-P-C4' energy: -21.755
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -4.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -113.462604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.462604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.462604 (E_RNA)
where:
Base-Base interactions energy: -45.086
where: short stacking energy: -45.086
Base-Backbone interact. energy: -0.134
local terms energy: -68.242217
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -18.936
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -4.629
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: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -101.370242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.370242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.370242 (E_RNA)
where:
Base-Base interactions energy: -37.489
where: short stacking energy: -32.792
Base-Backbone interact. energy: -0.189
local terms energy: -63.692061
where:
bonds (distance) C4'-P energy: -15.595
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -0.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -103.179943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.179943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.179943 (E_RNA)
where:
Base-Base interactions energy: -39.417
where: short stacking energy: -26.805
Base-Backbone interact. energy: -0.276
local terms energy: -63.487278
where:
bonds (distance) C4'-P energy: -19.873
bonds (distance) P-C4' energy: -21.177
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -6.797
tors. eta vs tors. theta energy: -4.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -324.672445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.672445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.672445 (E_RNA)
where:
Base-Base interactions energy: -216.853
where: short stacking energy: -93.274
Base-Backbone interact. energy: -0.074
local terms energy: -107.745764
where:
bonds (distance) C4'-P energy: -22.854
bonds (distance) P-C4' energy: -21.252
flat angles C4'-P-C4' energy: -21.924
flat angles P-C4'-P energy: -18.791
tors. eta vs tors. theta energy: -22.924
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: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -325.228484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.228484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.228484 (E_RNA)
where:
Base-Base interactions energy: -227.021
where: short stacking energy: -93.901
Base-Backbone interact. energy: -0.353
local terms energy: -97.854827
where:
bonds (distance) C4'-P energy: -19.965
bonds (distance) P-C4' energy: -21.159
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -16.198
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: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -309.669863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.669863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.669863 (E_RNA)
where:
Base-Base interactions energy: -201.647
where: short stacking energy: -97.018
Base-Backbone interact. energy: -0.091
local terms energy: -107.931304
where:
bonds (distance) C4'-P energy: -21.943
bonds (distance) P-C4' energy: -22.732
flat angles C4'-P-C4' energy: -23.595
flat angles P-C4'-P energy: -16.505
tors. eta vs tors. theta energy: -23.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -243.142002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.142002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.142002 (E_RNA)
where:
Base-Base interactions energy: -159.235
where: short stacking energy: -73.588
Base-Backbone interact. energy: 0.103
local terms energy: -84.010100
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -20.521
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -16.159
tors. eta vs tors. theta energy: -14.421
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: 8
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -178.786993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.786993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.786993 (E_RNA)
where:
Base-Base interactions energy: -92.914
where: short stacking energy: -58.941
Base-Backbone interact. energy: -0.298
local terms energy: -85.575235
where:
bonds (distance) C4'-P energy: -17.605
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -15.585
tors. eta vs tors. theta energy: -14.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -167.206937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.206937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.206937 (E_RNA)
where:
Base-Base interactions energy: -92.080
where: short stacking energy: -57.577
Base-Backbone interact. energy: -0.771
local terms energy: -74.356734
where:
bonds (distance) C4'-P energy: -18.338
bonds (distance) P-C4' energy: -16.570
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -13.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -132.146007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.146007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.146007 (E_RNA)
where:
Base-Base interactions energy: -55.701
where: short stacking energy: -53.866
Base-Backbone interact. energy: -1.186
local terms energy: -75.259610
where:
bonds (distance) C4'-P energy: -18.634
bonds (distance) P-C4' energy: -22.916
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -13.001
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: 8, replica: 5
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -124.938525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.938525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.938525 (E_RNA)
where:
Base-Base interactions energy: -59.909
where: short stacking energy: -38.419
Base-Backbone interact. energy: -0.739
local terms energy: -64.289796
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -21.504
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -1.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -113.975503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.975503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.975503 (E_RNA)
where:
Base-Base interactions energy: -41.884
where: short stacking energy: -32.117
Base-Backbone interact. energy: -0.386
local terms energy: -71.705130
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -20.700
flat angles P-C4'-P energy: -16.825
tors. eta vs tors. theta energy: -0.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -101.616006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.616006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.616006 (E_RNA)
where:
Base-Base interactions energy: -35.289
where: short stacking energy: -25.975
Base-Backbone interact. energy: -0.208
local terms energy: -66.119179
where:
bonds (distance) C4'-P energy: -19.658
bonds (distance) P-C4' energy: -22.633
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -0.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -324.112785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.112785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.112785 (E_RNA)
where:
Base-Base interactions energy: -218.207
where: short stacking energy: -96.881
Base-Backbone interact. energy: -0.032
local terms energy: -105.874218
where:
bonds (distance) C4'-P energy: -20.439
bonds (distance) P-C4' energy: -20.039
flat angles C4'-P-C4' energy: -22.193
flat angles P-C4'-P energy: -18.907
tors. eta vs tors. theta energy: -24.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -315.991871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.991871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.991871 (E_RNA)
where:
Base-Base interactions energy: -205.402
where: short stacking energy: -104.131
Base-Backbone interact. energy: -0.282
local terms energy: -110.307747
where:
bonds (distance) C4'-P energy: -24.518
bonds (distance) P-C4' energy: -20.733
flat angles C4'-P-C4' energy: -24.771
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -29.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -320.154715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.154715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.154715 (E_RNA)
where:
Base-Base interactions energy: -222.161
where: short stacking energy: -83.299
Base-Backbone interact. energy: -0.423
local terms energy: -97.570290
where:
bonds (distance) C4'-P energy: -20.148
bonds (distance) P-C4' energy: -19.606
flat angles C4'-P-C4' energy: -20.540
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -27.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -226.668805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.668805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.668805 (E_RNA)
where:
Base-Base interactions energy: -135.583
where: short stacking energy: -66.689
Base-Backbone interact. energy: -0.080
local terms energy: -91.005655
where:
bonds (distance) C4'-P energy: -22.535
bonds (distance) P-C4' energy: -22.144
flat angles C4'-P-C4' energy: -20.810
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -16.077
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: 8
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -184.568095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.568095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.568095 (E_RNA)
where:
Base-Base interactions energy: -103.389
where: short stacking energy: -63.306
Base-Backbone interact. energy: 1.901
local terms energy: -83.079849
where:
bonds (distance) C4'-P energy: -19.256
bonds (distance) P-C4' energy: -19.720
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -14.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -202.721061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.721061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.721061 (E_RNA)
where:
Base-Base interactions energy: -109.524
where: short stacking energy: -60.022
Base-Backbone interact. energy: 0.446
local terms energy: -93.643778
where:
bonds (distance) C4'-P energy: -17.803
bonds (distance) P-C4' energy: -22.520
flat angles C4'-P-C4' energy: -22.902
flat angles P-C4'-P energy: -17.357
tors. eta vs tors. theta energy: -13.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -132.070026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.070026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.070026 (E_RNA)
where:
Base-Base interactions energy: -52.765
where: short stacking energy: -51.015
Base-Backbone interact. energy: 0.704
local terms energy: -80.009028
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -23.058
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -16.652
tors. eta vs tors. theta energy: -7.930
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: 8, replica: 6
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -126.346610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.346610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.346610 (E_RNA)
where:
Base-Base interactions energy: -46.993
where: short stacking energy: -25.927
Base-Backbone interact. energy: -0.173
local terms energy: -79.180047
where:
bonds (distance) C4'-P energy: -20.873
bonds (distance) P-C4' energy: -24.028
flat angles C4'-P-C4' energy: -19.699
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -1.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -102.038787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.038787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.038787 (E_RNA)
where:
Base-Base interactions energy: -40.334
where: short stacking energy: -29.444
Base-Backbone interact. energy: 1.755
local terms energy: -63.459330
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -21.723
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -1.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -100.265728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.265728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.265728 (E_RNA)
where:
Base-Base interactions energy: -35.864
where: short stacking energy: -34.209
Base-Backbone interact. energy: -0.893
local terms energy: -63.509035
where:
bonds (distance) C4'-P energy: -20.749
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -6.664
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -2.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -327.792162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.792162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.792162 (E_RNA)
where:
Base-Base interactions energy: -224.284
where: short stacking energy: -83.436
Base-Backbone interact. energy: -1.707
local terms energy: -101.801340
where:
bonds (distance) C4'-P energy: -20.669
bonds (distance) P-C4' energy: -22.012
flat angles C4'-P-C4' energy: -24.349
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -23.408
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: 4
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -313.111611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.111611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.111611 (E_RNA)
where:
Base-Base interactions energy: -200.190
where: short stacking energy: -97.901
Base-Backbone interact. energy: -0.710
local terms energy: -112.212264
where:
bonds (distance) C4'-P energy: -20.821
bonds (distance) P-C4' energy: -20.699
flat angles C4'-P-C4' energy: -22.725
flat angles P-C4'-P energy: -16.728
tors. eta vs tors. theta energy: -31.240
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: 1
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -252.634828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.634828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.634828 (E_RNA)
where:
Base-Base interactions energy: -152.251
where: short stacking energy: -84.784
Base-Backbone interact. energy: 0.956
local terms energy: -101.340342
where:
bonds (distance) C4'-P energy: -23.273
bonds (distance) P-C4' energy: -22.280
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -16.640
tors. eta vs tors. theta energy: -18.927
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: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -309.451892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.451892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.451892 (E_RNA)
where:
Base-Base interactions energy: -212.463
where: short stacking energy: -85.981
Base-Backbone interact. energy: -0.691
local terms energy: -96.298151
where:
bonds (distance) C4'-P energy: -25.553
bonds (distance) P-C4' energy: -17.000
flat angles C4'-P-C4' energy: -20.853
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -24.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -208.951634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.951634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.951634 (E_RNA)
where:
Base-Base interactions energy: -116.439
where: short stacking energy: -57.628
Base-Backbone interact. energy: 0.042
local terms energy: -92.554274
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -24.911
flat angles C4'-P-C4' energy: -17.893
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -17.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -161.590626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.590626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.590626 (E_RNA)
where:
Base-Base interactions energy: -76.307
where: short stacking energy: -49.424
Base-Backbone interact. energy: -0.968
local terms energy: -84.315237
where:
bonds (distance) C4'-P energy: -24.580
bonds (distance) P-C4' energy: -22.241
flat angles C4'-P-C4' energy: -19.774
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -8.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -120.859609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.859609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.859609 (E_RNA)
where:
Base-Base interactions energy: -55.790
where: short stacking energy: -43.548
Base-Backbone interact. energy: -0.792
local terms energy: -64.278062
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -20.326
flat angles C4'-P-C4' energy: -20.763
flat angles P-C4'-P energy: -5.710
tors. eta vs tors. theta energy: -2.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -115.230745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.230745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.230745 (E_RNA)
where:
Base-Base interactions energy: -39.879
where: short stacking energy: -37.893
Base-Backbone interact. energy: -0.257
local terms energy: -75.095062
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -20.322
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: -2.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -107.700614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.700614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.700614 (E_RNA)
where:
Base-Base interactions energy: -46.733
where: short stacking energy: -40.899
Base-Backbone interact. energy: 0.042
local terms energy: -61.008884
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -19.983
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -8.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -108.891842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.891842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.891842 (E_RNA)
where:
Base-Base interactions energy: -44.967
where: short stacking energy: -24.060
Base-Backbone interact. energy: -0.600
local terms energy: -63.325546
where:
bonds (distance) C4'-P energy: -18.511
bonds (distance) P-C4' energy: -20.490
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: 1.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -337.885257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.885257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.885257 (E_RNA)
where:
Base-Base interactions energy: -226.457
where: short stacking energy: -94.879
Base-Backbone interact. energy: -0.307
local terms energy: -111.121161
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -20.907
flat angles C4'-P-C4' energy: -24.351
flat angles P-C4'-P energy: -15.944
tors. eta vs tors. theta energy: -31.304
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: 4
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -318.874628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.874628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.874628 (E_RNA)
where:
Base-Base interactions energy: -218.522
where: short stacking energy: -99.513
Base-Backbone interact. energy: -0.010
local terms energy: -100.342118
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -18.627
flat angles P-C4'-P energy: -13.604
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: 3, replica: 1
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -241.446826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.446826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.446826 (E_RNA)
where:
Base-Base interactions energy: -154.702
where: short stacking energy: -71.734
Base-Backbone interact. energy: -1.056
local terms energy: -85.688457
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -23.203
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -10.664
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: 3
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -325.431340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.431340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.431340 (E_RNA)
where:
Base-Base interactions energy: -237.223
where: short stacking energy: -88.736
Base-Backbone interact. energy: -0.656
local terms energy: -87.553123
where:
bonds (distance) C4'-P energy: -19.448
bonds (distance) P-C4' energy: -17.440
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -26.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -207.896740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.896740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.896740 (E_RNA)
where:
Base-Base interactions energy: -119.272
where: short stacking energy: -60.831
Base-Backbone interact. energy: -0.007
local terms energy: -88.617742
where:
bonds (distance) C4'-P energy: -17.981
bonds (distance) P-C4' energy: -18.514
flat angles C4'-P-C4' energy: -18.760
flat angles P-C4'-P energy: -17.303
tors. eta vs tors. theta energy: -16.060
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: 8
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -183.128940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.128940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.128940 (E_RNA)
where:
Base-Base interactions energy: -89.219
where: short stacking energy: -65.757
Base-Backbone interact. energy: -0.376
local terms energy: -93.534613
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -24.435
flat angles P-C4'-P energy: -17.527
tors. eta vs tors. theta energy: -15.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -125.849449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.849449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.849449 (E_RNA)
where:
Base-Base interactions energy: -51.183
where: short stacking energy: -46.975
Base-Backbone interact. energy: -0.024
local terms energy: -74.642894
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -23.451
flat angles C4'-P-C4' energy: -20.478
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -6.874
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: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -113.299755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.299755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.299755 (E_RNA)
where:
Base-Base interactions energy: -32.237
where: short stacking energy: -32.237
Base-Backbone interact. energy: -1.325
local terms energy: -79.738608
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -22.375
flat angles C4'-P-C4' energy: -20.071
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -6.978
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: 9, replica: 5
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -117.594633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.594633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.594633 (E_RNA)
where:
Base-Base interactions energy: -45.631
where: short stacking energy: -45.631
Base-Backbone interact. energy: -0.254
local terms energy: -71.709734
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -20.414
flat angles C4'-P-C4' energy: -22.800
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -109.562986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.562986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.562986 (E_RNA)
where:
Base-Base interactions energy: -47.435
where: short stacking energy: -34.349
Base-Backbone interact. energy: -1.550
local terms energy: -60.577878
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -20.033
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -6.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -345.713622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.713622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.713622 (E_RNA)
where:
Base-Base interactions energy: -239.485
where: short stacking energy: -93.142
Base-Backbone interact. energy: -0.347
local terms energy: -105.881324
where:
bonds (distance) C4'-P energy: -18.113
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -22.193
flat angles P-C4'-P energy: -16.815
tors. eta vs tors. theta energy: -27.680
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: 4
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -322.102908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.102908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.102908 (E_RNA)
where:
Base-Base interactions energy: -207.869
where: short stacking energy: -97.506
Base-Backbone interact. energy: 1.524
local terms energy: -115.758269
where:
bonds (distance) C4'-P energy: -21.467
bonds (distance) P-C4' energy: -26.231
flat angles C4'-P-C4' energy: -23.256
flat angles P-C4'-P energy: -13.933
tors. eta vs tors. theta energy: -30.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -309.028638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.028638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.028638 (E_RNA)
where:
Base-Base interactions energy: -200.914
where: short stacking energy: -87.829
Base-Backbone interact. energy: 0.388
local terms energy: -108.502673
where:
bonds (distance) C4'-P energy: -22.435
bonds (distance) P-C4' energy: -23.248
flat angles C4'-P-C4' energy: -22.656
flat angles P-C4'-P energy: -15.435
tors. eta vs tors. theta energy: -24.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -240.623997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.623997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.623997 (E_RNA)
where:
Base-Base interactions energy: -149.147
where: short stacking energy: -63.227
Base-Backbone interact. energy: -1.083
local terms energy: -90.394254
where:
bonds (distance) C4'-P energy: -21.964
bonds (distance) P-C4' energy: -22.222
flat angles C4'-P-C4' energy: -22.877
flat angles P-C4'-P energy: -16.723
tors. eta vs tors. theta energy: -6.609
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: 16
Temperature: 1.100000
Total energy: -196.283930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.283930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.283930 (E_RNA)
where:
Base-Base interactions energy: -106.660
where: short stacking energy: -67.481
Base-Backbone interact. energy: -0.100
local terms energy: -89.524605
where:
bonds (distance) C4'-P energy: -20.425
bonds (distance) P-C4' energy: -22.471
flat angles C4'-P-C4' energy: -17.347
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -15.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -158.440383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.440383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.440383 (E_RNA)
where:
Base-Base interactions energy: -86.816
where: short stacking energy: -43.581
Base-Backbone interact. energy: -0.401
local terms energy: -71.223187
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -18.844
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -6.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -127.449827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.449827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.449827 (E_RNA)
where:
Base-Base interactions energy: -54.823
where: short stacking energy: -40.832
Base-Backbone interact. energy: -0.482
local terms energy: -72.144764
where:
bonds (distance) C4'-P energy: -23.662
bonds (distance) P-C4' energy: -22.298
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -3.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -123.082582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.082582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.082582 (E_RNA)
where:
Base-Base interactions energy: -49.550
where: short stacking energy: -44.428
Base-Backbone interact. energy: -0.049
local terms energy: -73.484379
where:
bonds (distance) C4'-P energy: -18.359
bonds (distance) P-C4' energy: -19.461
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -6.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -115.691158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.691158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.691158 (E_RNA)
where:
Base-Base interactions energy: -49.684
where: short stacking energy: -47.094
Base-Backbone interact. energy: -0.076
local terms energy: -65.930694
where:
bonds (distance) C4'-P energy: -9.460
bonds (distance) P-C4' energy: -21.845
flat angles C4'-P-C4' energy: -18.599
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -6.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -98.758148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.758148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.758148 (E_RNA)
where:
Base-Base interactions energy: -32.442
where: short stacking energy: -24.008
Base-Backbone interact. energy: 1.729
local terms energy: -68.045899
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -20.299
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -2.101
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: 9
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -343.050442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.050442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.050442 (E_RNA)
where:
Base-Base interactions energy: -238.637
where: short stacking energy: -86.724
Base-Backbone interact. energy: -0.085
local terms energy: -104.327888
where:
bonds (distance) C4'-P energy: -18.844
bonds (distance) P-C4' energy: -25.847
flat angles C4'-P-C4' energy: -25.296
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -24.369
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: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -323.335945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.335945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.335945 (E_RNA)
where:
Base-Base interactions energy: -220.434
where: short stacking energy: -91.498
Base-Backbone interact. energy: -0.527
local terms energy: -102.374738
where:
bonds (distance) C4'-P energy: -20.652
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -24.402
flat angles P-C4'-P energy: -12.932
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: 3, replica: 4
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -316.898649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.898649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.898649 (E_RNA)
where:
Base-Base interactions energy: -203.516
where: short stacking energy: -95.895
Base-Backbone interact. energy: -0.100
local terms energy: -113.282341
where:
bonds (distance) C4'-P energy: -21.442
bonds (distance) P-C4' energy: -23.952
flat angles C4'-P-C4' energy: -24.545
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -29.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -210.454376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.454376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.454376 (E_RNA)
where:
Base-Base interactions energy: -122.655
where: short stacking energy: -71.964
Base-Backbone interact. energy: -0.239
local terms energy: -87.560504
where:
bonds (distance) C4'-P energy: -21.632
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -23.017
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -15.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -235.662777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.662777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.662777 (E_RNA)
where:
Base-Base interactions energy: -153.703
where: short stacking energy: -64.975
Base-Backbone interact. energy: -0.526
local terms energy: -81.433886
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -18.745
flat angles P-C4'-P energy: -15.847
tors. eta vs tors. theta energy: -14.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -139.110163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.110163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.110163 (E_RNA)
where:
Base-Base interactions energy: -54.821
where: short stacking energy: -34.515
Base-Backbone interact. energy: -1.169
local terms energy: -83.119605
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -20.996
flat angles C4'-P-C4' energy: -22.219
flat angles P-C4'-P energy: -15.467
tors. eta vs tors. theta energy: -7.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -156.373016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.373016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.373016 (E_RNA)
where:
Base-Base interactions energy: -86.260
where: short stacking energy: -56.375
Base-Backbone interact. energy: -0.769
local terms energy: -69.343631
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -19.445
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -5.777
tors. eta vs tors. theta energy: -9.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -121.091792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.091792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.091792 (E_RNA)
where:
Base-Base interactions energy: -54.520
where: short stacking energy: -45.107
Base-Backbone interact. energy: -0.131
local terms energy: -66.440769
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -19.230
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -5.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -118.949569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.949569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.949569 (E_RNA)
where:
Base-Base interactions energy: -57.187
where: short stacking energy: -37.485
Base-Backbone interact. energy: -0.409
local terms energy: -61.354193
where:
bonds (distance) C4'-P energy: -18.922
bonds (distance) P-C4' energy: -19.871
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: -2.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -109.305840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.305840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.305840 (E_RNA)
where:
Base-Base interactions energy: -32.596
where: short stacking energy: -32.596
Base-Backbone interact. energy: -0.122
local terms energy: -76.587445
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -22.275
flat angles C4'-P-C4' energy: -19.999
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -5.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -335.317797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.317797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.317797 (E_RNA)
where:
Base-Base interactions energy: -230.545
where: short stacking energy: -92.637
Base-Backbone interact. energy: -0.696
local terms energy: -104.076241
where:
bonds (distance) C4'-P energy: -20.834
bonds (distance) P-C4' energy: -21.476
flat angles C4'-P-C4' energy: -19.126
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -28.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -351.094629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.094629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.094629 (E_RNA)
where:
Base-Base interactions energy: -246.145
where: short stacking energy: -96.807
Base-Backbone interact. energy: -0.034
local terms energy: -104.915589
where:
bonds (distance) C4'-P energy: -18.081
bonds (distance) P-C4' energy: -17.768
flat angles C4'-P-C4' energy: -24.908
flat angles P-C4'-P energy: -16.544
tors. eta vs tors. theta energy: -27.615
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: 3, replica: 4
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -304.666713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.666713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.666713 (E_RNA)
where:
Base-Base interactions energy: -196.619
where: short stacking energy: -98.520
Base-Backbone interact. energy: -0.066
local terms energy: -107.981588
where:
bonds (distance) C4'-P energy: -22.264
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -22.372
flat angles P-C4'-P energy: -15.716
tors. eta vs tors. theta energy: -30.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -238.774594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.774594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.774594 (E_RNA)
where:
Base-Base interactions energy: -140.243
where: short stacking energy: -78.940
Base-Backbone interact. energy: -0.047
local terms energy: -98.483899
where:
bonds (distance) C4'-P energy: -19.683
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -22.600
flat angles P-C4'-P energy: -14.329
tors. eta vs tors. theta energy: -20.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -235.642245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.642245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.642245 (E_RNA)
where:
Base-Base interactions energy: -142.304
where: short stacking energy: -65.908
Base-Backbone interact. energy: -0.481
local terms energy: -92.857257
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -24.275
flat angles C4'-P-C4' energy: -21.782
flat angles P-C4'-P energy: -14.980
tors. eta vs tors. theta energy: -14.857
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: 10
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -171.856449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.856449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.856449 (E_RNA)
where:
Base-Base interactions energy: -95.762
where: short stacking energy: -57.037
Base-Backbone interact. energy: -0.021
local terms energy: -76.073532
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -11.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -134.965953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.965953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.965953 (E_RNA)
where:
Base-Base interactions energy: -60.616
where: short stacking energy: -45.597
Base-Backbone interact. energy: -1.518
local terms energy: -72.831605
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -20.129
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -3.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -158.899861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.899861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.899861 (E_RNA)
where:
Base-Base interactions energy: -73.210
where: short stacking energy: -44.698
Base-Backbone interact. energy: -0.211
local terms energy: -85.478473
where:
bonds (distance) C4'-P energy: -23.061
bonds (distance) P-C4' energy: -20.016
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -17.579
tors. eta vs tors. theta energy: -8.596
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: 5
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -99.159512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.159512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.159512 (E_RNA)
where:
Base-Base interactions energy: -35.839
where: short stacking energy: -35.783
Base-Backbone interact. energy: -0.540
local terms energy: -62.781265
where:
bonds (distance) C4'-P energy: -21.455
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -11.969
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: 10, replica: 6
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -106.484683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.484683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.484683 (E_RNA)
where:
Base-Base interactions energy: -43.255
where: short stacking energy: -29.146
Base-Backbone interact. energy: -0.377
local terms energy: -62.851924
where:
bonds (distance) C4'-P energy: -17.085
bonds (distance) P-C4' energy: -21.464
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -5.108
tors. eta vs tors. theta energy: -1.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -334.926833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.926833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.926833 (E_RNA)
where:
Base-Base interactions energy: -232.427
where: short stacking energy: -90.484
Base-Backbone interact. energy: 0.600
local terms energy: -103.100764
where:
bonds (distance) C4'-P energy: -22.176
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -21.486
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -27.995
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: 9
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -345.783994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.783994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.783994 (E_RNA)
where:
Base-Base interactions energy: -243.736
where: short stacking energy: -95.766
Base-Backbone interact. energy: -0.233
local terms energy: -101.814512
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -19.763
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: -27.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -303.332485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.332485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.332485 (E_RNA)
where:
Base-Base interactions energy: -188.435
where: short stacking energy: -91.540
Base-Backbone interact. energy: -0.159
local terms energy: -114.738908
where:
bonds (distance) C4'-P energy: -25.466
bonds (distance) P-C4' energy: -21.803
flat angles C4'-P-C4' energy: -22.959
flat angles P-C4'-P energy: -16.372
tors. eta vs tors. theta energy: -28.139
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: 4, replica: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -255.481090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.481090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.481090 (E_RNA)
where:
Base-Base interactions energy: -160.538
where: short stacking energy: -80.415
Base-Backbone interact. energy: -0.831
local terms energy: -94.112370
where:
bonds (distance) C4'-P energy: -18.081
bonds (distance) P-C4' energy: -21.033
flat angles C4'-P-C4' energy: -21.572
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -17.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -245.795323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.795323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.795323 (E_RNA)
where:
Base-Base interactions energy: -144.869
where: short stacking energy: -79.888
Base-Backbone interact. energy: -0.059
local terms energy: -100.867430
where:
bonds (distance) C4'-P energy: -23.118
bonds (distance) P-C4' energy: -21.497
flat angles C4'-P-C4' energy: -21.083
flat angles P-C4'-P energy: -14.496
tors. eta vs tors. theta energy: -20.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -165.895912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.895912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.895912 (E_RNA)
where:
Base-Base interactions energy: -82.773
where: short stacking energy: -52.618
Base-Backbone interact. energy: -0.253
local terms energy: -82.869736
where:
bonds (distance) C4'-P energy: -20.279
bonds (distance) P-C4' energy: -21.194
flat angles C4'-P-C4' energy: -21.829
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -7.883
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: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -122.834851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.834851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.834851 (E_RNA)
where:
Base-Base interactions energy: -53.476
where: short stacking energy: -52.863
Base-Backbone interact. energy: -0.251
local terms energy: -69.107378
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -10.241
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: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -152.188592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.188592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.188592 (E_RNA)
where:
Base-Base interactions energy: -69.799
where: short stacking energy: -42.270
Base-Backbone interact. energy: 1.221
local terms energy: -83.611186
where:
bonds (distance) C4'-P energy: -20.798
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -18.623
tors. eta vs tors. theta energy: -7.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -97.257036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.257036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.257036 (E_RNA)
where:
Base-Base interactions energy: -45.326
where: short stacking energy: -34.944
Base-Backbone interact. energy: -0.193
local terms energy: -51.738334
where:
bonds (distance) C4'-P energy: -17.580
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: 5.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -106.626911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.626911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.626911 (E_RNA)
where:
Base-Base interactions energy: -32.089
where: short stacking energy: -21.655
Base-Backbone interact. energy: -0.443
local terms energy: -74.094894
where:
bonds (distance) C4'-P energy: -22.465
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -21.937
flat angles P-C4'-P energy: -8.376
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: 9
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -356.636833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.636833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.636833 (E_RNA)
where:
Base-Base interactions energy: -245.484
where: short stacking energy: -97.579
Base-Backbone interact. energy: -1.292
local terms energy: -109.860122
where:
bonds (distance) C4'-P energy: -21.641
bonds (distance) P-C4' energy: -23.218
flat angles C4'-P-C4' energy: -21.750
flat angles P-C4'-P energy: -16.844
tors. eta vs tors. theta energy: -26.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -329.520880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.520880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.520880 (E_RNA)
where:
Base-Base interactions energy: -229.227
where: short stacking energy: -89.820
Base-Backbone interact. energy: -0.107
local terms energy: -100.186777
where:
bonds (distance) C4'-P energy: -21.976
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -21.128
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -27.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -301.312331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.312331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.312331 (E_RNA)
where:
Base-Base interactions energy: -191.513
where: short stacking energy: -91.489
Base-Backbone interact. energy: -0.182
local terms energy: -109.617301
where:
bonds (distance) C4'-P energy: -19.757
bonds (distance) P-C4' energy: -19.833
flat angles C4'-P-C4' energy: -22.306
flat angles P-C4'-P energy: -16.434
tors. eta vs tors. theta energy: -31.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -260.662062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.662062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.662062 (E_RNA)
where:
Base-Base interactions energy: -179.949
where: short stacking energy: -79.409
Base-Backbone interact. energy: -0.496
local terms energy: -80.217013
where:
bonds (distance) C4'-P energy: -9.861
bonds (distance) P-C4' energy: -18.732
flat angles C4'-P-C4' energy: -22.125
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -19.267
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: 20
Temperature: 1.100000
Total energy: -232.786061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.786061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.786061 (E_RNA)
where:
Base-Base interactions energy: -143.196
where: short stacking energy: -76.503
Base-Backbone interact. energy: -0.024
local terms energy: -89.566274
where:
bonds (distance) C4'-P energy: -20.255
bonds (distance) P-C4' energy: -20.278
flat angles C4'-P-C4' energy: -20.697
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -17.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -193.891694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.891694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.891694 (E_RNA)
where:
Base-Base interactions energy: -120.071
where: short stacking energy: -62.194
Base-Backbone interact. energy: -0.361
local terms energy: -73.460308
where:
bonds (distance) C4'-P energy: -18.052
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -16.080
tors. eta vs tors. theta energy: -5.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -135.345181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.345181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.345181 (E_RNA)
where:
Base-Base interactions energy: -59.262
where: short stacking energy: -33.462
Base-Backbone interact. energy: 0.327
local terms energy: -76.410592
where:
bonds (distance) C4'-P energy: -19.153
bonds (distance) P-C4' energy: -24.211
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -6.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -122.388312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.388312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.388312 (E_RNA)
where:
Base-Base interactions energy: -52.199
where: short stacking energy: -36.351
Base-Backbone interact. energy: -0.165
local terms energy: -70.024361
where:
bonds (distance) C4'-P energy: -20.605
bonds (distance) P-C4' energy: -22.740
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -0.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -102.929575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.929575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.929575 (E_RNA)
where:
Base-Base interactions energy: -35.383
where: short stacking energy: -33.347
Base-Backbone interact. energy: 1.729
local terms energy: -69.275376
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -18.904
flat angles C4'-P-C4' energy: -18.218
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -2.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -98.879455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.879455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.879455 (E_RNA)
where:
Base-Base interactions energy: -36.128
where: short stacking energy: -36.128
Base-Backbone interact. energy: -0.424
local terms energy: -62.327747
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -18.059
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: 0.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -388.687136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.687136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.687136 (E_RNA)
where:
Base-Base interactions energy: -274.468
where: short stacking energy: -109.051
Base-Backbone interact. energy: -1.164
local terms energy: -113.055114
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -20.371
flat angles C4'-P-C4' energy: -26.963
flat angles P-C4'-P energy: -14.725
tors. eta vs tors. theta energy: -34.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -334.018529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.018529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.018529 (E_RNA)
where:
Base-Base interactions energy: -229.256
where: short stacking energy: -91.474
Base-Backbone interact. energy: -1.362
local terms energy: -103.400682
where:
bonds (distance) C4'-P energy: -23.069
bonds (distance) P-C4' energy: -23.959
flat angles C4'-P-C4' energy: -22.015
flat angles P-C4'-P energy: -3.917
tors. eta vs tors. theta energy: -30.441
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: 4
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -302.576460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.576460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.576460 (E_RNA)
where:
Base-Base interactions energy: -195.251
where: short stacking energy: -90.883
Base-Backbone interact. energy: -1.571
local terms energy: -105.754453
where:
bonds (distance) C4'-P energy: -19.889
bonds (distance) P-C4' energy: -20.744
flat angles C4'-P-C4' energy: -22.287
flat angles P-C4'-P energy: -17.476
tors. eta vs tors. theta energy: -25.359
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: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -277.943105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.943105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.943105 (E_RNA)
where:
Base-Base interactions energy: -189.366
where: short stacking energy: -84.582
Base-Backbone interact. energy: -0.058
local terms energy: -88.518615
where:
bonds (distance) C4'-P energy: -22.222
bonds (distance) P-C4' energy: -21.494
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -15.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -235.462462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.462462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.462462 (E_RNA)
where:
Base-Base interactions energy: -147.131
where: short stacking energy: -74.263
Base-Backbone interact. energy: -0.331
local terms energy: -87.999788
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -23.144
flat angles C4'-P-C4' energy: -19.081
flat angles P-C4'-P energy: -15.863
tors. eta vs tors. theta energy: -13.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -207.064560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.064560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.064560 (E_RNA)
where:
Base-Base interactions energy: -135.257
where: short stacking energy: -74.735
Base-Backbone interact. energy: 0.020
local terms energy: -71.827954
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -19.813
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -12.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -170.198389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.198389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.198389 (E_RNA)
where:
Base-Base interactions energy: -88.618
where: short stacking energy: -60.021
Base-Backbone interact. energy: 0.935
local terms energy: -82.515374
where:
bonds (distance) C4'-P energy: -22.845
bonds (distance) P-C4' energy: -20.324
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -10.955
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: 5
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -113.095334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.095334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.095334 (E_RNA)
where:
Base-Base interactions energy: -46.732
where: short stacking energy: -39.168
Base-Backbone interact. energy: -0.406
local terms energy: -65.957027
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -22.988
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -115.168922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.168922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.168922 (E_RNA)
where:
Base-Base interactions energy: -54.194
where: short stacking energy: -38.471
Base-Backbone interact. energy: -0.440
local terms energy: -60.534622
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -21.328
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -1.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -96.563213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.563213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.563213 (E_RNA)
where:
Base-Base interactions energy: -34.342
where: short stacking energy: -32.297
Base-Backbone interact. energy: -0.414
local terms energy: -61.807010
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -21.447
flat angles C4'-P-C4' energy: -18.432
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: 0.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -393.524627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.524627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.524627 (E_RNA)
where:
Base-Base interactions energy: -276.294
where: short stacking energy: -112.304
Base-Backbone interact. energy: -0.229
local terms energy: -117.001362
where:
bonds (distance) C4'-P energy: -23.822
bonds (distance) P-C4' energy: -21.397
flat angles C4'-P-C4' energy: -23.805
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -33.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -313.543980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.543980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.543980 (E_RNA)
where:
Base-Base interactions energy: -224.227
where: short stacking energy: -85.513
Base-Backbone interact. energy: -0.623
local terms energy: -88.694063
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -21.301
flat angles C4'-P-C4' energy: -18.872
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -25.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -314.131464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.131464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.131464 (E_RNA)
where:
Base-Base interactions energy: -204.693
where: short stacking energy: -100.752
Base-Backbone interact. energy: -0.015
local terms energy: -109.423949
where:
bonds (distance) C4'-P energy: -24.978
bonds (distance) P-C4' energy: -19.762
flat angles C4'-P-C4' energy: -18.491
flat angles P-C4'-P energy: -17.511
tors. eta vs tors. theta energy: -28.682
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: 4, replica: 2
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -298.665699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.665699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.665699 (E_RNA)
where:
Base-Base interactions energy: -201.271
where: short stacking energy: -95.797
Base-Backbone interact. energy: -0.490
local terms energy: -96.904071
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -21.434
flat angles C4'-P-C4' energy: -20.007
flat angles P-C4'-P energy: -14.598
tors. eta vs tors. theta energy: -22.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -230.239688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.239688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.239688 (E_RNA)
where:
Base-Base interactions energy: -142.741
where: short stacking energy: -88.172
Base-Backbone interact. energy: -0.169
local terms energy: -87.329449
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -23.521
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -18.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -218.457203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.457203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.457203 (E_RNA)
where:
Base-Base interactions energy: -136.489
where: short stacking energy: -76.129
Base-Backbone interact. energy: -0.496
local terms energy: -81.471708
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -20.645
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -16.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -153.546615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.546615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.546615 (E_RNA)
where:
Base-Base interactions energy: -84.856
where: short stacking energy: -43.618
Base-Backbone interact. energy: -0.391
local terms energy: -68.299959
where:
bonds (distance) C4'-P energy: -18.234
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -12.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -155.252026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.252026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.252026 (E_RNA)
where:
Base-Base interactions energy: -80.245
where: short stacking energy: -45.783
Base-Backbone interact. energy: -0.436
local terms energy: -74.571063
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -18.187
flat angles C4'-P-C4' energy: -21.342
flat angles P-C4'-P energy: -6.535
tors. eta vs tors. theta energy: -11.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -100.298540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.298540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.298540 (E_RNA)
where:
Base-Base interactions energy: -38.428
where: short stacking energy: -34.747
Base-Backbone interact. energy: -0.194
local terms energy: -61.676023
where:
bonds (distance) C4'-P energy: -19.199
bonds (distance) P-C4' energy: -20.027
flat angles C4'-P-C4' energy: -18.882
flat angles P-C4'-P energy: -5.422
tors. eta vs tors. theta energy: 1.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -102.150121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.150121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.150121 (E_RNA)
where:
Base-Base interactions energy: -24.994
where: short stacking energy: -19.629
Base-Backbone interact. energy: -0.455
local terms energy: -76.701669
where:
bonds (distance) C4'-P energy: -19.439
bonds (distance) P-C4' energy: -22.559
flat angles C4'-P-C4' energy: -20.750
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -3.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -387.862404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.862404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.862404 (E_RNA)
where:
Base-Base interactions energy: -276.000
where: short stacking energy: -108.248
Base-Backbone interact. energy: -0.092
local terms energy: -111.770422
where:
bonds (distance) C4'-P energy: -22.266
bonds (distance) P-C4' energy: -18.903
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -16.850
tors. eta vs tors. theta energy: -35.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -302.660814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.660814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.660814 (E_RNA)
where:
Base-Base interactions energy: -192.700
where: short stacking energy: -93.436
Base-Backbone interact. energy: -0.042
local terms energy: -109.918555
where:
bonds (distance) C4'-P energy: -19.389
bonds (distance) P-C4' energy: -24.529
flat angles C4'-P-C4' energy: -23.490
flat angles P-C4'-P energy: -14.453
tors. eta vs tors. theta energy: -28.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -312.741136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.741136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.741136 (E_RNA)
where:
Base-Base interactions energy: -214.065
where: short stacking energy: -82.371
Base-Backbone interact. energy: -0.705
local terms energy: -97.971534
where:
bonds (distance) C4'-P energy: -18.358
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -15.846
tors. eta vs tors. theta energy: -24.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -237.458742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.458742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.458742 (E_RNA)
where:
Base-Base interactions energy: -144.946
where: short stacking energy: -77.975
Base-Backbone interact. energy: 0.454
local terms energy: -92.966881
where:
bonds (distance) C4'-P energy: -22.452
bonds (distance) P-C4' energy: -19.882
flat angles C4'-P-C4' energy: -20.027
flat angles P-C4'-P energy: -15.854
tors. eta vs tors. theta energy: -14.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -285.441382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.441382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.441382 (E_RNA)
where:
Base-Base interactions energy: -192.544
where: short stacking energy: -86.479
Base-Backbone interact. energy: -0.184
local terms energy: -92.713226
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -20.852
flat angles C4'-P-C4' energy: -22.041
flat angles P-C4'-P energy: -11.731
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: 6, replica: 10
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -172.912088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.912088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.912088 (E_RNA)
where:
Base-Base interactions energy: -89.402
where: short stacking energy: -61.119
Base-Backbone interact. energy: -0.541
local terms energy: -82.969113
where:
bonds (distance) C4'-P energy: -18.304
bonds (distance) P-C4' energy: -21.645
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -16.728
tors. eta vs tors. theta energy: -13.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -142.561533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.561533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.561533 (E_RNA)
where:
Base-Base interactions energy: -58.064
where: short stacking energy: -57.721
Base-Backbone interact. energy: -0.010
local terms energy: -84.488180
where:
bonds (distance) C4'-P energy: -21.280
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -19.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -123.907333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.907333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.907333 (E_RNA)
where:
Base-Base interactions energy: -48.268
where: short stacking energy: -34.705
Base-Backbone interact. energy: -0.749
local terms energy: -74.889749
where:
bonds (distance) C4'-P energy: -19.707
bonds (distance) P-C4' energy: -21.865
flat angles C4'-P-C4' energy: -18.707
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -2.115
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: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -141.950264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.950264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.950264 (E_RNA)
where:
Base-Base interactions energy: -70.114
where: short stacking energy: -42.065
Base-Backbone interact. energy: -0.307
local terms energy: -71.529261
where:
bonds (distance) C4'-P energy: -18.353
bonds (distance) P-C4' energy: -22.353
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -5.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -112.390692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.390692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.390692 (E_RNA)
where:
Base-Base interactions energy: -43.091
where: short stacking energy: -42.574
Base-Backbone interact. energy: -0.088
local terms energy: -69.210943
where:
bonds (distance) C4'-P energy: -19.433
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -11.048
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -7.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -397.067122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.067122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.067122 (E_RNA)
where:
Base-Base interactions energy: -277.743
where: short stacking energy: -114.456
Base-Backbone interact. energy: -0.108
local terms energy: -119.215457
where:
bonds (distance) C4'-P energy: -21.744
bonds (distance) P-C4' energy: -22.599
flat angles C4'-P-C4' energy: -26.143
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: -35.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -306.171357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.171357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.171357 (E_RNA)
where:
Base-Base interactions energy: -192.523
where: short stacking energy: -88.503
Base-Backbone interact. energy: -0.612
local terms energy: -113.035457
where:
bonds (distance) C4'-P energy: -24.712
bonds (distance) P-C4' energy: -17.832
flat angles C4'-P-C4' energy: -23.432
flat angles P-C4'-P energy: -17.120
tors. eta vs tors. theta energy: -29.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -318.838125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.838125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.838125 (E_RNA)
where:
Base-Base interactions energy: -232.157
where: short stacking energy: -91.615
Base-Backbone interact. energy: -0.272
local terms energy: -86.409076
where:
bonds (distance) C4'-P energy: -21.660
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -25.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -247.374853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.374853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.374853 (E_RNA)
where:
Base-Base interactions energy: -150.940
where: short stacking energy: -70.303
Base-Backbone interact. energy: -0.272
local terms energy: -96.162733
where:
bonds (distance) C4'-P energy: -17.874
bonds (distance) P-C4' energy: -23.303
flat angles C4'-P-C4' energy: -24.416
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -17.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -287.387014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.387014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.387014 (E_RNA)
where:
Base-Base interactions energy: -181.857
where: short stacking energy: -90.092
Base-Backbone interact. energy: -0.572
local terms energy: -104.958140
where:
bonds (distance) C4'-P energy: -20.688
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -20.361
flat angles P-C4'-P energy: -19.005
tors. eta vs tors. theta energy: -26.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -158.232258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.232258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.232258 (E_RNA)
where:
Base-Base interactions energy: -68.816
where: short stacking energy: -43.310
Base-Backbone interact. energy: -0.261
local terms energy: -89.155422
where:
bonds (distance) C4'-P energy: -19.682
bonds (distance) P-C4' energy: -25.977
flat angles C4'-P-C4' energy: -21.423
flat angles P-C4'-P energy: -14.956
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: 7, replica: 5
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -135.696439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.696439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.696439 (E_RNA)
where:
Base-Base interactions energy: -65.183
where: short stacking energy: -55.849
Base-Backbone interact. energy: 0.136
local terms energy: -70.649271
where:
bonds (distance) C4'-P energy: -17.828
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -15.101
tors. eta vs tors. theta energy: -6.229
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: 8, replica: 6
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -109.713785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.713785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.713785 (E_RNA)
where:
Base-Base interactions energy: -38.920
where: short stacking energy: -33.740
Base-Backbone interact. energy: -0.324
local terms energy: -70.469011
where:
bonds (distance) C4'-P energy: -22.611
bonds (distance) P-C4' energy: -18.717
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -1.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -108.798404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.798404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.798404 (E_RNA)
where:
Base-Base interactions energy: -42.534
where: short stacking energy: -39.596
Base-Backbone interact. energy: -0.503
local terms energy: -65.762297
where:
bonds (distance) C4'-P energy: -21.911
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -9.248
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -4.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -130.829986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.829986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.829986 (E_RNA)
where:
Base-Base interactions energy: -63.934
where: short stacking energy: -28.609
Base-Backbone interact. energy: -1.384
local terms energy: -65.512047
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -20.947
flat angles C4'-P-C4' energy: -10.460
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -4.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -400.818799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.818799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.818799 (E_RNA)
where:
Base-Base interactions energy: -274.779
where: short stacking energy: -110.132
Base-Backbone interact. energy: -0.112
local terms energy: -125.927457
where:
bonds (distance) C4'-P energy: -23.939
bonds (distance) P-C4' energy: -24.736
flat angles C4'-P-C4' energy: -25.376
flat angles P-C4'-P energy: -17.026
tors. eta vs tors. theta energy: -34.850
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: 3
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -322.415600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.415600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.415600 (E_RNA)
where:
Base-Base interactions energy: -226.016
where: short stacking energy: -88.267
Base-Backbone interact. energy: 0.410
local terms energy: -96.809681
where:
bonds (distance) C4'-P energy: -19.692
bonds (distance) P-C4' energy: -24.012
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -25.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -291.990265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.990265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.990265 (E_RNA)
where:
Base-Base interactions energy: -191.713
where: short stacking energy: -97.437
Base-Backbone interact. energy: -0.240
local terms energy: -100.037385
where:
bonds (distance) C4'-P energy: -21.208
bonds (distance) P-C4' energy: -18.653
flat angles C4'-P-C4' energy: -21.750
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -25.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -313.073228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.073228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.073228 (E_RNA)
where:
Base-Base interactions energy: -214.321
where: short stacking energy: -87.747
Base-Backbone interact. energy: -0.010
local terms energy: -98.742320
where:
bonds (distance) C4'-P energy: -22.175
bonds (distance) P-C4' energy: -20.233
flat angles C4'-P-C4' energy: -23.167
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -24.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -251.765263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.765263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.765263 (E_RNA)
where:
Base-Base interactions energy: -161.800
where: short stacking energy: -71.973
Base-Backbone interact. energy: 1.145
local terms energy: -91.109620
where:
bonds (distance) C4'-P energy: -20.162
bonds (distance) P-C4' energy: -24.199
flat angles C4'-P-C4' energy: -22.901
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -15.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -153.500393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.500393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.500393 (E_RNA)
where:
Base-Base interactions energy: -75.467
where: short stacking energy: -39.790
Base-Backbone interact. energy: -0.975
local terms energy: -77.057925
where:
bonds (distance) C4'-P energy: -21.902
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -21.565
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -4.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -170.477435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.477435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.477435 (E_RNA)
where:
Base-Base interactions energy: -86.682
where: short stacking energy: -61.017
Base-Backbone interact. energy: -0.215
local terms energy: -83.580584
where:
bonds (distance) C4'-P energy: -19.343
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -20.536
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -12.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -124.400322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.400322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.400322 (E_RNA)
where:
Base-Base interactions energy: -48.800
where: short stacking energy: -45.488
Base-Backbone interact. energy: -0.144
local terms energy: -75.456166
where:
bonds (distance) C4'-P energy: -21.161
bonds (distance) P-C4' energy: -19.934
flat angles C4'-P-C4' energy: -21.365
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -5.476
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: 6
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -110.083851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.083851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.083851 (E_RNA)
where:
Base-Base interactions energy: -41.449
where: short stacking energy: -32.773
Base-Backbone interact. energy: -0.770
local terms energy: -67.864506
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -22.610
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: 0.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -115.859900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.859900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.859900 (E_RNA)
where:
Base-Base interactions energy: -44.454
where: short stacking energy: -32.058
Base-Backbone interact. energy: -0.531
local terms energy: -70.875319
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -25.975
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -4.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -390.178174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.178174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.178174 (E_RNA)
where:
Base-Base interactions energy: -275.707
where: short stacking energy: -112.188
Base-Backbone interact. energy: -0.089
local terms energy: -114.382019
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -24.483
flat angles C4'-P-C4' energy: -23.328
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -35.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -321.564875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.564875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.564875 (E_RNA)
where:
Base-Base interactions energy: -229.407
where: short stacking energy: -87.306
Base-Backbone interact. energy: -0.641
local terms energy: -91.517222
where:
bonds (distance) C4'-P energy: -21.902
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -27.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -311.148089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.148089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.148089 (E_RNA)
where:
Base-Base interactions energy: -211.938
where: short stacking energy: -94.959
Base-Backbone interact. energy: -0.366
local terms energy: -98.844521
where:
bonds (distance) C4'-P energy: -18.876
bonds (distance) P-C4' energy: -19.794
flat angles C4'-P-C4' energy: -22.498
flat angles P-C4'-P energy: -15.546
tors. eta vs tors. theta energy: -22.130
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: 26
Temperature: 1.050000
Total energy: -286.651471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.651471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.651471 (E_RNA)
where:
Base-Base interactions energy: -184.871
where: short stacking energy: -88.209
Base-Backbone interact. energy: -0.134
local terms energy: -101.646153
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -20.451
flat angles C4'-P-C4' energy: -22.564
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -27.341
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: 5, replica: 1
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -244.400059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.400059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.400059 (E_RNA)
where:
Base-Base interactions energy: -152.685
where: short stacking energy: -66.331
Base-Backbone interact. energy: 1.891
local terms energy: -93.605908
where:
bonds (distance) C4'-P energy: -21.882
bonds (distance) P-C4' energy: -20.873
flat angles C4'-P-C4' energy: -21.012
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -17.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -138.525538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.525538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.525538 (E_RNA)
where:
Base-Base interactions energy: -56.988
where: short stacking energy: -55.046
Base-Backbone interact. energy: -0.928
local terms energy: -80.609009
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -24.207
flat angles C4'-P-C4' energy: -19.234
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -12.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -141.730930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.730930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.730930 (E_RNA)
where:
Base-Base interactions energy: -71.252
where: short stacking energy: -28.948
Base-Backbone interact. energy: 0.372
local terms energy: -70.850590
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -23.128
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -3.977
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: 26
Temperature: 1.250000
Total energy: -143.598363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.598363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.598363 (E_RNA)
where:
Base-Base interactions energy: -63.090
where: short stacking energy: -37.763
Base-Backbone interact. energy: -0.247
local terms energy: -80.261318
where:
bonds (distance) C4'-P energy: -22.291
bonds (distance) P-C4' energy: -21.344
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -117.585463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.585463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.585463 (E_RNA)
where:
Base-Base interactions energy: -56.401
where: short stacking energy: -43.380
Base-Backbone interact. energy: -0.257
local terms energy: -60.927453
where:
bonds (distance) C4'-P energy: -18.268
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -3.908
tors. eta vs tors. theta energy: -7.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -98.577830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.577830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.577830 (E_RNA)
where:
Base-Base interactions energy: -34.771
where: short stacking energy: -33.923
Base-Backbone interact. energy: -0.613
local terms energy: -63.193858
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -18.976
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -13.307
tors. eta vs tors. theta energy: -1.007
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: 9
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -392.972723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.972723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.972723 (E_RNA)
where:
Base-Base interactions energy: -278.521
where: short stacking energy: -108.939
Base-Backbone interact. energy: 0.399
local terms energy: -114.851552
where:
bonds (distance) C4'-P energy: -22.802
bonds (distance) P-C4' energy: -24.535
flat angles C4'-P-C4' energy: -19.453
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -35.420
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: 3
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -324.137007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.137007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.137007 (E_RNA)
where:
Base-Base interactions energy: -221.895
where: short stacking energy: -89.119
Base-Backbone interact. energy: 0.437
local terms energy: -102.679286
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -17.379
flat angles C4'-P-C4' energy: -21.446
flat angles P-C4'-P energy: -16.731
tors. eta vs tors. theta energy: -29.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -313.668173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.668173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.668173 (E_RNA)
where:
Base-Base interactions energy: -209.070
where: short stacking energy: -95.868
Base-Backbone interact. energy: -0.356
local terms energy: -104.242416
where:
bonds (distance) C4'-P energy: -21.816
bonds (distance) P-C4' energy: -19.092
flat angles C4'-P-C4' energy: -21.885
flat angles P-C4'-P energy: -17.971
tors. eta vs tors. theta energy: -23.478
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: 4
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -296.177591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.177591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.177591 (E_RNA)
where:
Base-Base interactions energy: -191.470
where: short stacking energy: -87.929
Base-Backbone interact. energy: -0.183
local terms energy: -104.524588
where:
bonds (distance) C4'-P energy: -22.675
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -23.432
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -27.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -261.818951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.818951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.818951 (E_RNA)
where:
Base-Base interactions energy: -163.800
where: short stacking energy: -88.492
Base-Backbone interact. energy: -0.149
local terms energy: -97.870029
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -24.811
flat angles C4'-P-C4' energy: -22.694
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -25.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -152.485622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.485622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.485622 (E_RNA)
where:
Base-Base interactions energy: -76.374
where: short stacking energy: -52.819
Base-Backbone interact. energy: 0.676
local terms energy: -76.787569
where:
bonds (distance) C4'-P energy: -14.862
bonds (distance) P-C4' energy: -19.463
flat angles C4'-P-C4' energy: -20.071
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -9.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -134.939302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.939302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.939302 (E_RNA)
where:
Base-Base interactions energy: -56.861
where: short stacking energy: -55.985
Base-Backbone interact. energy: -0.101
local terms energy: -77.977383
where:
bonds (distance) C4'-P energy: -19.348
bonds (distance) P-C4' energy: -17.310
flat angles C4'-P-C4' energy: -19.004
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -8.572
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: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -118.602205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.602205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.602205 (E_RNA)
where:
Base-Base interactions energy: -45.414
where: short stacking energy: -42.781
Base-Backbone interact. energy: -0.273
local terms energy: -72.914462
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -24.664
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -6.215
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: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -149.459799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.459799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.459799 (E_RNA)
where:
Base-Base interactions energy: -60.234
where: short stacking energy: -31.508
Base-Backbone interact. energy: -0.083
local terms energy: -89.142875
where:
bonds (distance) C4'-P energy: -22.320
bonds (distance) P-C4' energy: -20.570
flat angles C4'-P-C4' energy: -19.207
flat angles P-C4'-P energy: -16.248
tors. eta vs tors. theta energy: -10.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -114.152707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.152707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.152707 (E_RNA)
where:
Base-Base interactions energy: -58.381
where: short stacking energy: -34.562
Base-Backbone interact. energy: 1.715
local terms energy: -57.486519
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -2.942
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: 9
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -392.466450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.466450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.466450 (E_RNA)
where:
Base-Base interactions energy: -273.897
where: short stacking energy: -110.907
Base-Backbone interact. energy: -0.001
local terms energy: -118.568230
where:
bonds (distance) C4'-P energy: -22.081
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -22.587
flat angles P-C4'-P energy: -18.181
tors. eta vs tors. theta energy: -33.966
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: 3
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -325.966604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.966604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.966604 (E_RNA)
where:
Base-Base interactions energy: -217.569
where: short stacking energy: -96.266
Base-Backbone interact. energy: -0.628
local terms energy: -107.769069
where:
bonds (distance) C4'-P energy: -24.838
bonds (distance) P-C4' energy: -22.747
flat angles C4'-P-C4' energy: -21.276
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -25.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -314.387155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.387155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.387155 (E_RNA)
where:
Base-Base interactions energy: -206.009
where: short stacking energy: -98.461
Base-Backbone interact. energy: -1.417
local terms energy: -106.961466
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -20.443
flat angles C4'-P-C4' energy: -22.674
flat angles P-C4'-P energy: -15.806
tors. eta vs tors. theta energy: -29.686
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: 4
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -281.449577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.449577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.449577 (E_RNA)
where:
Base-Base interactions energy: -181.763
where: short stacking energy: -80.109
Base-Backbone interact. energy: -0.131
local terms energy: -99.555756
where:
bonds (distance) C4'-P energy: -18.768
bonds (distance) P-C4' energy: -19.650
flat angles C4'-P-C4' energy: -22.307
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -25.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -251.831954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.831954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.831954 (E_RNA)
where:
Base-Base interactions energy: -165.326
where: short stacking energy: -69.451
Base-Backbone interact. energy: -0.264
local terms energy: -86.241533
where:
bonds (distance) C4'-P energy: -23.052
bonds (distance) P-C4' energy: -20.054
flat angles C4'-P-C4' energy: -19.015
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -12.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -136.320385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.320385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.320385 (E_RNA)
where:
Base-Base interactions energy: -61.852
where: short stacking energy: -37.087
Base-Backbone interact. energy: -0.109
local terms energy: -74.359494
where:
bonds (distance) C4'-P energy: -18.602
bonds (distance) P-C4' energy: -22.048
flat angles C4'-P-C4' energy: -17.760
flat angles P-C4'-P energy: -15.918
tors. eta vs tors. theta energy: -0.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -120.223135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.223135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.223135 (E_RNA)
where:
Base-Base interactions energy: -39.549
where: short stacking energy: -31.725
Base-Backbone interact. energy: 1.081
local terms energy: -81.755321
where:
bonds (distance) C4'-P energy: -22.989
bonds (distance) P-C4' energy: -22.501
flat angles C4'-P-C4' energy: -23.957
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -1.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -111.635179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.635179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.635179 (E_RNA)
where:
Base-Base interactions energy: -43.724
where: short stacking energy: -28.499
Base-Backbone interact. energy: -0.334
local terms energy: -67.577169
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -20.550
flat angles C4'-P-C4' energy: -20.515
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: 1.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -100.537915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.537915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.537915 (E_RNA)
where:
Base-Base interactions energy: -33.849
where: short stacking energy: -29.929
Base-Backbone interact. energy: -0.295
local terms energy: -66.393922
where:
bonds (distance) C4'-P energy: -21.799
bonds (distance) P-C4' energy: -18.698
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -4.403
tors. eta vs tors. theta energy: -5.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -111.492427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.492427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.492427 (E_RNA)
where:
Base-Base interactions energy: -62.660
where: short stacking energy: -29.071
Base-Backbone interact. energy: -0.742
local terms energy: -48.090544
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: 6.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -397.192688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.192688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.192688 (E_RNA)
where:
Base-Base interactions energy: -277.577
where: short stacking energy: -108.355
Base-Backbone interact. energy: 0.147
local terms energy: -119.762757
where:
bonds (distance) C4'-P energy: -24.461
bonds (distance) P-C4' energy: -24.790
flat angles C4'-P-C4' energy: -20.878
flat angles P-C4'-P energy: -15.010
tors. eta vs tors. theta energy: -34.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -324.146833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.146833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.146833 (E_RNA)
where:
Base-Base interactions energy: -210.856
where: short stacking energy: -96.007
Base-Backbone interact. energy: -0.099
local terms energy: -113.191422
where:
bonds (distance) C4'-P energy: -20.262
bonds (distance) P-C4' energy: -23.549
flat angles C4'-P-C4' energy: -26.447
flat angles P-C4'-P energy: -16.773
tors. eta vs tors. theta energy: -26.161
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: 3
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -321.572540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.572540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.572540 (E_RNA)
where:
Base-Base interactions energy: -210.256
where: short stacking energy: -89.820
Base-Backbone interact. energy: 1.329
local terms energy: -112.645437
where:
bonds (distance) C4'-P energy: -20.371
bonds (distance) P-C4' energy: -25.909
flat angles C4'-P-C4' energy: -25.063
flat angles P-C4'-P energy: -14.125
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: 4, replica: 4
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -274.820083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.820083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.820083 (E_RNA)
where:
Base-Base interactions energy: -174.144
where: short stacking energy: -82.859
Base-Backbone interact. energy: -0.371
local terms energy: -100.304890
where:
bonds (distance) C4'-P energy: -20.101
bonds (distance) P-C4' energy: -22.635
flat angles C4'-P-C4' energy: -22.023
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -23.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -214.354901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.354901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.354901 (E_RNA)
where:
Base-Base interactions energy: -122.606
where: short stacking energy: -59.730
Base-Backbone interact. energy: -0.344
local terms energy: -91.404255
where:
bonds (distance) C4'-P energy: -20.365
bonds (distance) P-C4' energy: -20.621
flat angles C4'-P-C4' energy: -19.886
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: -16.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -138.376564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.376564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.376564 (E_RNA)
where:
Base-Base interactions energy: -61.915
where: short stacking energy: -40.077
Base-Backbone interact. energy: -0.349
local terms energy: -76.113085
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -22.108
flat angles C4'-P-C4' energy: -19.761
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -3.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -133.128373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.128373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.128373 (E_RNA)
where:
Base-Base interactions energy: -55.343
where: short stacking energy: -42.269
Base-Backbone interact. energy: -0.109
local terms energy: -77.676771
where:
bonds (distance) C4'-P energy: -23.777
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -15.012
tors. eta vs tors. theta energy: -4.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -128.962833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.962833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.962833 (E_RNA)
where:
Base-Base interactions energy: -56.328
where: short stacking energy: -45.928
Base-Backbone interact. energy: -0.777
local terms energy: -71.858500
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -19.819
flat angles C4'-P-C4' energy: -10.785
flat angles P-C4'-P energy: -18.256
tors. eta vs tors. theta energy: -5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -111.601523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.601523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.601523 (E_RNA)
where:
Base-Base interactions energy: -45.585
where: short stacking energy: -36.363
Base-Backbone interact. energy: -0.506
local terms energy: -65.510376
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -23.244
flat angles C4'-P-C4' energy: -18.690
flat angles P-C4'-P energy: -4.410
tors. eta vs tors. theta energy: -7.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -117.159663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.159663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.159663 (E_RNA)
where:
Base-Base interactions energy: -53.696
where: short stacking energy: -44.078
Base-Backbone interact. energy: -0.371
local terms energy: -63.092935
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -15.959
tors. eta vs tors. theta energy: -2.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -388.383358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.383358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.383358 (E_RNA)
where:
Base-Base interactions energy: -271.383
where: short stacking energy: -111.352
Base-Backbone interact. energy: -0.002
local terms energy: -116.998738
where:
bonds (distance) C4'-P energy: -22.358
bonds (distance) P-C4' energy: -21.540
flat angles C4'-P-C4' energy: -22.118
flat angles P-C4'-P energy: -18.110
tors. eta vs tors. theta energy: -32.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -312.461610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.461610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.461610 (E_RNA)
where:
Base-Base interactions energy: -209.032
where: short stacking energy: -101.060
Base-Backbone interact. energy: -0.007
local terms energy: -103.422904
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -18.602
flat angles C4'-P-C4' energy: -20.608
flat angles P-C4'-P energy: -16.792
tors. eta vs tors. theta energy: -28.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -300.335121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.335121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.335121 (E_RNA)
where:
Base-Base interactions energy: -198.572
where: short stacking energy: -84.077
Base-Backbone interact. energy: -0.599
local terms energy: -101.164789
where:
bonds (distance) C4'-P energy: -22.072
bonds (distance) P-C4' energy: -22.725
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -13.237
tors. eta vs tors. theta energy: -25.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -279.789534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.789534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.789534 (E_RNA)
where:
Base-Base interactions energy: -181.858
where: short stacking energy: -80.168
Base-Backbone interact. energy: -0.225
local terms energy: -97.706282
where:
bonds (distance) C4'-P energy: -19.224
bonds (distance) P-C4' energy: -22.786
flat angles C4'-P-C4' energy: -23.754
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -19.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -238.204908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.204908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.204908 (E_RNA)
where:
Base-Base interactions energy: -152.848
where: short stacking energy: -79.213
Base-Backbone interact. energy: -0.338
local terms energy: -85.019119
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -19.544
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -20.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -159.412095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.412095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.412095 (E_RNA)
where:
Base-Base interactions energy: -82.251
where: short stacking energy: -55.992
Base-Backbone interact. energy: -0.176
local terms energy: -76.984685
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -22.593
flat angles C4'-P-C4' energy: -23.203
flat angles P-C4'-P energy: -6.190
tors. eta vs tors. theta energy: -6.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -119.299941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.299941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.299941 (E_RNA)
where:
Base-Base interactions energy: -53.219
where: short stacking energy: -34.839
Base-Backbone interact. energy: -1.635
local terms energy: -64.445970
where:
bonds (distance) C4'-P energy: -20.147
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: 0.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -107.011990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.011990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.011990 (E_RNA)
where:
Base-Base interactions energy: -33.535
where: short stacking energy: -32.123
Base-Backbone interact. energy: -0.279
local terms energy: -73.197662
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -20.921
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -17.767
tors. eta vs tors. theta energy: -2.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -114.880894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.880894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.880894 (E_RNA)
where:
Base-Base interactions energy: -50.811
where: short stacking energy: -37.055
Base-Backbone interact. energy: -0.080
local terms energy: -63.990221
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -23.317
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -6.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -105.385740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.385740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.385740 (E_RNA)
where:
Base-Base interactions energy: -37.021
where: short stacking energy: -37.021
Base-Backbone interact. energy: -0.299
local terms energy: -68.066562
where:
bonds (distance) C4'-P energy: -20.017
bonds (distance) P-C4' energy: -26.390
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: 0.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -397.557767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.557767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.557767 (E_RNA)
where:
Base-Base interactions energy: -274.328
where: short stacking energy: -111.137
Base-Backbone interact. energy: -0.073
local terms energy: -123.156012
where:
bonds (distance) C4'-P energy: -23.910
bonds (distance) P-C4' energy: -23.211
flat angles C4'-P-C4' energy: -22.986
flat angles P-C4'-P energy: -15.814
tors. eta vs tors. theta energy: -37.235
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: 2, replica: 3
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -310.797795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.797795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.797795 (E_RNA)
where:
Base-Base interactions energy: -205.221
where: short stacking energy: -95.272
Base-Backbone interact. energy: -0.406
local terms energy: -105.170336
where:
bonds (distance) C4'-P energy: -17.555
bonds (distance) P-C4' energy: -20.839
flat angles C4'-P-C4' energy: -21.246
flat angles P-C4'-P energy: -18.520
tors. eta vs tors. theta energy: -27.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -308.590399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.590399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.590399 (E_RNA)
where:
Base-Base interactions energy: -200.139
where: short stacking energy: -93.958
Base-Backbone interact. energy: -0.785
local terms energy: -107.666304
where:
bonds (distance) C4'-P energy: -19.943
bonds (distance) P-C4' energy: -19.851
flat angles C4'-P-C4' energy: -22.256
flat angles P-C4'-P energy: -17.311
tors. eta vs tors. theta energy: -28.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -286.021272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.021272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.021272 (E_RNA)
where:
Base-Base interactions energy: -186.163
where: short stacking energy: -80.026
Base-Backbone interact. energy: -0.403
local terms energy: -99.455495
where:
bonds (distance) C4'-P energy: -23.214
bonds (distance) P-C4' energy: -20.359
flat angles C4'-P-C4' energy: -22.003
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -24.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -217.122249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.122249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.122249 (E_RNA)
where:
Base-Base interactions energy: -132.130
where: short stacking energy: -66.888
Base-Backbone interact. energy: -0.865
local terms energy: -84.126985
where:
bonds (distance) C4'-P energy: -20.648
bonds (distance) P-C4' energy: -20.664
flat angles C4'-P-C4' energy: -18.138
flat angles P-C4'-P energy: -14.198
tors. eta vs tors. theta energy: -10.479
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: 6, replica: 8
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -159.643021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.643021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.643021 (E_RNA)
where:
Base-Base interactions energy: -75.779
where: short stacking energy: -54.401
Base-Backbone interact. energy: -0.021
local terms energy: -83.843162
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -23.409
flat angles C4'-P-C4' energy: -19.204
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -17.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -133.753498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.753498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.753498 (E_RNA)
where:
Base-Base interactions energy: -60.152
where: short stacking energy: -37.363
Base-Backbone interact. energy: -0.098
local terms energy: -73.503253
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -20.630
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -7.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -129.336370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.336370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.336370 (E_RNA)
where:
Base-Base interactions energy: -56.629
where: short stacking energy: -45.133
Base-Backbone interact. energy: -0.516
local terms energy: -72.191159
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -23.673
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -14.690
tors. eta vs tors. theta energy: -2.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -112.406889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.406889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.406889 (E_RNA)
where:
Base-Base interactions energy: -55.667
where: short stacking energy: -30.230
Base-Backbone interact. energy: 0.752
local terms energy: -57.491741
where:
bonds (distance) C4'-P energy: -22.432
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -9.170
flat angles P-C4'-P energy: -2.853
tors. eta vs tors. theta energy: -5.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -121.897652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.897652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.897652 (E_RNA)
where:
Base-Base interactions energy: -59.333
where: short stacking energy: -25.390
Base-Backbone interact. energy: -1.811
local terms energy: -60.753624
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -0.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -395.066922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.066922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.066922 (E_RNA)
where:
Base-Base interactions energy: -281.537
where: short stacking energy: -115.185
Base-Backbone interact. energy: -0.223
local terms energy: -113.306498
where:
bonds (distance) C4'-P energy: -22.250
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -24.153
flat angles P-C4'-P energy: -14.722
tors. eta vs tors. theta energy: -35.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -319.429724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.429724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.429724 (E_RNA)
where:
Base-Base interactions energy: -215.083
where: short stacking energy: -103.456
Base-Backbone interact. energy: -0.791
local terms energy: -103.556038
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -26.221
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -29.000
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: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -306.629911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.629911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.629911 (E_RNA)
where:
Base-Base interactions energy: -207.112
where: short stacking energy: -94.838
Base-Backbone interact. energy: -0.223
local terms energy: -99.295302
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -21.662
flat angles C4'-P-C4' energy: -25.295
flat angles P-C4'-P energy: -17.764
tors. eta vs tors. theta energy: -22.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -295.468448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.468448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.468448 (E_RNA)
where:
Base-Base interactions energy: -196.955
where: short stacking energy: -99.208
Base-Backbone interact. energy: -0.152
local terms energy: -98.361202
where:
bonds (distance) C4'-P energy: -20.132
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -30.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -234.782052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.782052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.782052 (E_RNA)
where:
Base-Base interactions energy: -147.165
where: short stacking energy: -68.016
Base-Backbone interact. energy: -0.807
local terms energy: -86.809401
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -14.623
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: 6, replica: 8
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -166.015341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.015341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.015341 (E_RNA)
where:
Base-Base interactions energy: -96.036
where: short stacking energy: -47.387
Base-Backbone interact. energy: 0.237
local terms energy: -70.216251
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -23.094
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -5.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -127.240542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.240542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.240542 (E_RNA)
where:
Base-Base interactions energy: -56.392
where: short stacking energy: -29.215
Base-Backbone interact. energy: -0.804
local terms energy: -70.044596
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -20.636
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -12.046
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: 8, replica: 10
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -135.192005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.192005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.192005 (E_RNA)
where:
Base-Base interactions energy: -60.241
where: short stacking energy: -36.872
Base-Backbone interact. energy: -0.983
local terms energy: -73.967652
where:
bonds (distance) C4'-P energy: -20.668
bonds (distance) P-C4' energy: -26.918
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -2.973
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: 9, replica: 6
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -114.619814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.619814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.619814 (E_RNA)
where:
Base-Base interactions energy: -42.550
where: short stacking energy: -39.415
Base-Backbone interact. energy: -0.331
local terms energy: -71.738944
where:
bonds (distance) C4'-P energy: -21.806
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -19.307
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -0.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -115.249877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.249877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.249877 (E_RNA)
where:
Base-Base interactions energy: -37.827
where: short stacking energy: -37.827
Base-Backbone interact. energy: 1.024
local terms energy: -78.446643
where:
bonds (distance) C4'-P energy: -21.417
bonds (distance) P-C4' energy: -22.695
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -5.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -389.945416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.945416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.945416 (E_RNA)
where:
Base-Base interactions energy: -273.658
where: short stacking energy: -114.179
Base-Backbone interact. energy: -0.287
local terms energy: -115.999810
where:
bonds (distance) C4'-P energy: -21.268
bonds (distance) P-C4' energy: -18.747
flat angles C4'-P-C4' energy: -24.016
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: -36.439
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: 3
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -323.076045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.076045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.076045 (E_RNA)
where:
Base-Base interactions energy: -214.488
where: short stacking energy: -90.519
Base-Backbone interact. energy: -0.456
local terms energy: -108.132490
where:
bonds (distance) C4'-P energy: -21.327
bonds (distance) P-C4' energy: -20.516
flat angles C4'-P-C4' energy: -23.725
flat angles P-C4'-P energy: -13.878
tors. eta vs tors. theta energy: -28.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -304.819861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.819861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.819861 (E_RNA)
where:
Base-Base interactions energy: -204.246
where: short stacking energy: -92.570
Base-Backbone interact. energy: -1.862
local terms energy: -98.711054
where:
bonds (distance) C4'-P energy: -22.044
bonds (distance) P-C4' energy: -20.812
flat angles C4'-P-C4' energy: -21.644
flat angles P-C4'-P energy: -15.766
tors. eta vs tors. theta energy: -18.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -287.438362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.438362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.438362 (E_RNA)
where:
Base-Base interactions energy: -175.767
where: short stacking energy: -82.211
Base-Backbone interact. energy: -0.265
local terms energy: -111.405481
where:
bonds (distance) C4'-P energy: -19.563
bonds (distance) P-C4' energy: -23.599
flat angles C4'-P-C4' energy: -23.914
flat angles P-C4'-P energy: -16.758
tors. eta vs tors. theta energy: -27.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -221.824921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.824921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.824921 (E_RNA)
where:
Base-Base interactions energy: -148.346
where: short stacking energy: -59.884
Base-Backbone interact. energy: -2.308
local terms energy: -71.171389
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -22.337
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -7.846
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: 8
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -192.509681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.509681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.509681 (E_RNA)
where:
Base-Base interactions energy: -112.597
where: short stacking energy: -72.761
Base-Backbone interact. energy: 0.607
local terms energy: -80.519493
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -19.329
flat angles C4'-P-C4' energy: -18.227
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -15.760
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: 7
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -131.895775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.895775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.895775 (E_RNA)
where:
Base-Base interactions energy: -47.252
where: short stacking energy: -47.252
Base-Backbone interact. energy: -0.317
local terms energy: -84.326390
where:
bonds (distance) C4'-P energy: -22.080
bonds (distance) P-C4' energy: -18.733
flat angles C4'-P-C4' energy: -20.852
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -10.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -104.420143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.420143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.420143 (E_RNA)
where:
Base-Base interactions energy: -46.464
where: short stacking energy: -39.597
Base-Backbone interact. energy: -0.325
local terms energy: -57.631832
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -0.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -102.910562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.910562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.910562 (E_RNA)
where:
Base-Base interactions energy: -32.898
where: short stacking energy: -22.117
Base-Backbone interact. energy: 0.722
local terms energy: -70.735235
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -21.605
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -15.116
tors. eta vs tors. theta energy: 1.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -105.442814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.442814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.442814 (E_RNA)
where:
Base-Base interactions energy: -41.393
where: short stacking energy: -33.639
Base-Backbone interact. energy: -1.409
local terms energy: -62.640283
where:
bonds (distance) C4'-P energy: -20.880
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: 1.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -394.857978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.857978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.857978 (E_RNA)
where:
Base-Base interactions energy: -280.090
where: short stacking energy: -115.801
Base-Backbone interact. energy: -0.579
local terms energy: -114.189754
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -23.317
flat angles C4'-P-C4' energy: -26.226
flat angles P-C4'-P energy: -15.209
tors. eta vs tors. theta energy: -34.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -314.687579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.687579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.687579 (E_RNA)
where:
Base-Base interactions energy: -213.171
where: short stacking energy: -89.387
Base-Backbone interact. energy: -0.768
local terms energy: -100.748872
where:
bonds (distance) C4'-P energy: -20.291
bonds (distance) P-C4' energy: -11.338
flat angles C4'-P-C4' energy: -23.458
flat angles P-C4'-P energy: -17.319
tors. eta vs tors. theta energy: -28.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -306.532663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.532663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.532663 (E_RNA)
where:
Base-Base interactions energy: -200.731
where: short stacking energy: -93.069
Base-Backbone interact. energy: -0.129
local terms energy: -105.673086
where:
bonds (distance) C4'-P energy: -21.409
bonds (distance) P-C4' energy: -21.102
flat angles C4'-P-C4' energy: -23.289
flat angles P-C4'-P energy: -16.352
tors. eta vs tors. theta energy: -23.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -284.971635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.971635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.971635 (E_RNA)
where:
Base-Base interactions energy: -184.086
where: short stacking energy: -87.278
Base-Backbone interact. energy: -0.492
local terms energy: -100.392781
where:
bonds (distance) C4'-P energy: -22.944
bonds (distance) P-C4' energy: -24.204
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -21.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -182.528790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.528790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.528790 (E_RNA)
where:
Base-Base interactions energy: -99.512
where: short stacking energy: -56.495
Base-Backbone interact. energy: -0.226
local terms energy: -82.790329
where:
bonds (distance) C4'-P energy: -18.937
bonds (distance) P-C4' energy: -18.512
flat angles C4'-P-C4' energy: -20.807
flat angles P-C4'-P energy: -14.977
tors. eta vs tors. theta energy: -9.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -214.627829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.627829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.627829 (E_RNA)
where:
Base-Base interactions energy: -132.866
where: short stacking energy: -55.608
Base-Backbone interact. energy: -1.551
local terms energy: -80.211172
where:
bonds (distance) C4'-P energy: -22.913
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -16.212
tors. eta vs tors. theta energy: -9.176
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: 6
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -127.256153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.256153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.256153 (E_RNA)
where:
Base-Base interactions energy: -53.051
where: short stacking energy: -50.757
Base-Backbone interact. energy: 0.046
local terms energy: -74.251492
where:
bonds (distance) C4'-P energy: -18.146
bonds (distance) P-C4' energy: -18.846
flat angles C4'-P-C4' energy: -19.514
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -7.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -117.533839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.533839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.533839 (E_RNA)
where:
Base-Base interactions energy: -49.078
where: short stacking energy: -38.795
Base-Backbone interact. energy: 0.368
local terms energy: -68.824026
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -20.387
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -5.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -120.066361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.066361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.066361 (E_RNA)
where:
Base-Base interactions energy: -46.132
where: short stacking energy: -42.059
Base-Backbone interact. energy: -0.230
local terms energy: -73.704338
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -20.505
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -6.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -117.660656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.660656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.660656 (E_RNA)
where:
Base-Base interactions energy: -53.587
where: short stacking energy: -29.078
Base-Backbone interact. energy: -0.624
local terms energy: -63.449314
where:
bonds (distance) C4'-P energy: -18.444
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -1.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -397.440266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.440266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.440266 (E_RNA)
where:
Base-Base interactions energy: -279.834
where: short stacking energy: -117.727
Base-Backbone interact. energy: -0.281
local terms energy: -117.324878
where:
bonds (distance) C4'-P energy: -22.801
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -24.317
flat angles P-C4'-P energy: -16.785
tors. eta vs tors. theta energy: -35.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -320.677549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.677549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.677549 (E_RNA)
where:
Base-Base interactions energy: -209.775
where: short stacking energy: -98.510
Base-Backbone interact. energy: -0.108
local terms energy: -110.794253
where:
bonds (distance) C4'-P energy: -24.070
bonds (distance) P-C4' energy: -23.381
flat angles C4'-P-C4' energy: -21.013
flat angles P-C4'-P energy: -17.657
tors. eta vs tors. theta energy: -24.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -316.437515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.437515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.437515 (E_RNA)
where:
Base-Base interactions energy: -201.202
where: short stacking energy: -95.093
Base-Backbone interact. energy: 0.342
local terms energy: -115.577360
where:
bonds (distance) C4'-P energy: -22.379
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -22.479
flat angles P-C4'-P energy: -16.833
tors. eta vs tors. theta energy: -31.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -285.933809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.933809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.933809 (E_RNA)
where:
Base-Base interactions energy: -189.354
where: short stacking energy: -89.085
Base-Backbone interact. energy: -0.079
local terms energy: -96.501248
where:
bonds (distance) C4'-P energy: -19.758
bonds (distance) P-C4' energy: -19.891
flat angles C4'-P-C4' energy: -18.363
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -27.204
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: 35
Temperature: 1.100000
Total energy: -211.635083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.635083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.635083 (E_RNA)
where:
Base-Base interactions energy: -130.571
where: short stacking energy: -73.862
Base-Backbone interact. energy: -0.208
local terms energy: -80.856476
where:
bonds (distance) C4'-P energy: -19.913
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -16.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -206.497759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.497759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.497759 (E_RNA)
where:
Base-Base interactions energy: -127.882
where: short stacking energy: -64.255
Base-Backbone interact. energy: -0.459
local terms energy: -78.156263
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -19.557
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -12.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -120.288788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.288788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.288788 (E_RNA)
where:
Base-Base interactions energy: -51.778
where: short stacking energy: -40.174
Base-Backbone interact. energy: -0.674
local terms energy: -67.837316
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -20.072
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: 0.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -124.301625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.301625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.301625 (E_RNA)
where:
Base-Base interactions energy: -49.002
where: short stacking energy: -36.818
Base-Backbone interact. energy: -0.081
local terms energy: -75.218615
where:
bonds (distance) C4'-P energy: -19.766
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -20.087
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -3.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -102.585480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.585480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.585480 (E_RNA)
where:
Base-Base interactions energy: -34.478
where: short stacking energy: -34.578
Base-Backbone interact. energy: -0.085
local terms energy: -68.022722
where:
bonds (distance) C4'-P energy: -21.103
bonds (distance) P-C4' energy: -19.177
flat angles C4'-P-C4' energy: -19.821
flat angles P-C4'-P energy: -2.841
tors. eta vs tors. theta energy: -5.080
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: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -105.841953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.841953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.841953 (E_RNA)
where:
Base-Base interactions energy: -39.743
where: short stacking energy: -36.357
Base-Backbone interact. energy: -0.621
local terms energy: -65.478070
where:
bonds (distance) C4'-P energy: -20.558
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -13.560
tors. eta vs tors. theta energy: 1.160
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: 36
Temperature: 0.900000
Total energy: -389.389060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.389060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.389060 (E_RNA)
where:
Base-Base interactions energy: -274.890
where: short stacking energy: -112.278
Base-Backbone interact. energy: -0.105
local terms energy: -114.393789
where:
bonds (distance) C4'-P energy: -23.206
bonds (distance) P-C4' energy: -19.173
flat angles C4'-P-C4' energy: -23.303
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -35.234
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: 2
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -311.301730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.301730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.301730 (E_RNA)
where:
Base-Base interactions energy: -210.990
where: short stacking energy: -104.876
Base-Backbone interact. energy: -0.157
local terms energy: -100.154791
where:
bonds (distance) C4'-P energy: -20.763
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -20.588
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -29.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -303.017233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.017233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.017233 (E_RNA)
where:
Base-Base interactions energy: -197.764
where: short stacking energy: -92.442
Base-Backbone interact. energy: -0.397
local terms energy: -104.856639
where:
bonds (distance) C4'-P energy: -24.518
bonds (distance) P-C4' energy: -17.941
flat angles C4'-P-C4' energy: -22.186
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -25.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -291.796946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.796946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.796946 (E_RNA)
where:
Base-Base interactions energy: -188.813
where: short stacking energy: -91.014
Base-Backbone interact. energy: -0.062
local terms energy: -102.921589
where:
bonds (distance) C4'-P energy: -20.491
bonds (distance) P-C4' energy: -20.860
flat angles C4'-P-C4' energy: -23.021
flat angles P-C4'-P energy: -10.646
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: 5, replica: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -234.776530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.776530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.776530 (E_RNA)
where:
Base-Base interactions energy: -142.863
where: short stacking energy: -62.448
Base-Backbone interact. energy: -0.140
local terms energy: -91.774056
where:
bonds (distance) C4'-P energy: -19.791
bonds (distance) P-C4' energy: -21.785
flat angles C4'-P-C4' energy: -20.436
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -16.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -203.020233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.020233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.020233 (E_RNA)
where:
Base-Base interactions energy: -119.144
where: short stacking energy: -44.664
Base-Backbone interact. energy: -0.234
local terms energy: -83.641736
where:
bonds (distance) C4'-P energy: -22.705
bonds (distance) P-C4' energy: -23.732
flat angles C4'-P-C4' energy: -19.569
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -10.540
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: 36
Temperature: 1.200000
Total energy: -143.605212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.605212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.605212 (E_RNA)
where:
Base-Base interactions energy: -61.098
where: short stacking energy: -45.009
Base-Backbone interact. energy: 1.957
local terms energy: -84.463701
where:
bonds (distance) C4'-P energy: -21.291
bonds (distance) P-C4' energy: -24.672
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -13.842
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: 8, replica: 6
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -116.175097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.175097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.175097 (E_RNA)
where:
Base-Base interactions energy: -41.303
where: short stacking energy: -36.363
Base-Backbone interact. energy: -0.066
local terms energy: -74.806044
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -22.253
flat angles C4'-P-C4' energy: -21.680
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -3.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -117.334570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.334570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.334570 (E_RNA)
where:
Base-Base interactions energy: -36.473
where: short stacking energy: -31.345
Base-Backbone interact. energy: -0.035
local terms energy: -80.825979
where:
bonds (distance) C4'-P energy: -21.603
bonds (distance) P-C4' energy: -20.279
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -5.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -108.758271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.758271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.758271 (E_RNA)
where:
Base-Base interactions energy: -48.147
where: short stacking energy: -39.862
Base-Backbone interact. energy: -0.889
local terms energy: -59.722495
where:
bonds (distance) C4'-P energy: -18.278
bonds (distance) P-C4' energy: -23.533
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -1.957
tors. eta vs tors. theta energy: 0.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -389.787048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.787048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.787048 (E_RNA)
where:
Base-Base interactions energy: -270.749
where: short stacking energy: -107.900
Base-Backbone interact. energy: -0.471
local terms energy: -118.566720
where:
bonds (distance) C4'-P energy: -21.425
bonds (distance) P-C4' energy: -22.240
flat angles C4'-P-C4' energy: -23.455
flat angles P-C4'-P energy: -17.014
tors. eta vs tors. theta energy: -34.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -310.467396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.467396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.467396 (E_RNA)
where:
Base-Base interactions energy: -208.351
where: short stacking energy: -92.040
Base-Backbone interact. energy: -0.939
local terms energy: -101.177089
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -21.804
flat angles C4'-P-C4' energy: -25.011
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -25.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -318.367653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.367653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.367653 (E_RNA)
where:
Base-Base interactions energy: -212.310
where: short stacking energy: -95.262
Base-Backbone interact. energy: -0.407
local terms energy: -105.650352
where:
bonds (distance) C4'-P energy: -19.057
bonds (distance) P-C4' energy: -22.330
flat angles C4'-P-C4' energy: -24.633
flat angles P-C4'-P energy: -11.066
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: 4, replica: 1
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -267.284177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.284177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.284177 (E_RNA)
where:
Base-Base interactions energy: -172.424
where: short stacking energy: -76.371
Base-Backbone interact. energy: -0.766
local terms energy: -94.094551
where:
bonds (distance) C4'-P energy: -22.196
bonds (distance) P-C4' energy: -21.686
flat angles C4'-P-C4' energy: -22.674
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -17.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -283.556598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.556598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.556598 (E_RNA)
where:
Base-Base interactions energy: -191.253
where: short stacking energy: -100.267
Base-Backbone interact. energy: -0.117
local terms energy: -92.187381
where:
bonds (distance) C4'-P energy: -20.250
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -24.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -138.762491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.762491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.762491 (E_RNA)
where:
Base-Base interactions energy: -56.459
where: short stacking energy: -49.308
Base-Backbone interact. energy: -0.044
local terms energy: -82.259115
where:
bonds (distance) C4'-P energy: -23.831
bonds (distance) P-C4' energy: -19.461
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -8.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -120.821552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.821552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.821552 (E_RNA)
where:
Base-Base interactions energy: -45.236
where: short stacking energy: -43.362
Base-Backbone interact. energy: -0.496
local terms energy: -75.089727
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -19.108
flat angles P-C4'-P energy: -14.550
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: 8, replica: 10
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -118.773542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.773542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.773542 (E_RNA)
where:
Base-Base interactions energy: -44.044
where: short stacking energy: -44.044
Base-Backbone interact. energy: -0.199
local terms energy: -74.530576
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -21.269
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -2.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -103.588974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.588974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.588974 (E_RNA)
where:
Base-Base interactions energy: -39.659
where: short stacking energy: -34.848
Base-Backbone interact. energy: 2.188
local terms energy: -66.117805
where:
bonds (distance) C4'-P energy: -19.050
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -11.786
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: 10, replica: 7
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -91.679632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.679632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.679632 (E_RNA)
where:
Base-Base interactions energy: -32.290
where: short stacking energy: -27.328
Base-Backbone interact. energy: -0.694
local terms energy: -58.695571
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -12.400
flat angles C4'-P-C4' energy: -19.467
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -0.684
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: 9
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -388.389478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.389478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.389478 (E_RNA)
where:
Base-Base interactions energy: -272.151
where: short stacking energy: -110.644
Base-Backbone interact. energy: -0.161
local terms energy: -116.077518
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -22.284
flat angles P-C4'-P energy: -18.500
tors. eta vs tors. theta energy: -35.765
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: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -324.506409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.506409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.506409 (E_RNA)
where:
Base-Base interactions energy: -222.634
where: short stacking energy: -98.258
Base-Backbone interact. energy: -0.274
local terms energy: -101.598429
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -19.962
flat angles P-C4'-P energy: -15.169
tors. eta vs tors. theta energy: -27.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -313.266320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.266320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.266320 (E_RNA)
where:
Base-Base interactions energy: -209.775
where: short stacking energy: -91.618
Base-Backbone interact. energy: -0.435
local terms energy: -103.055486
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -19.773
flat angles C4'-P-C4' energy: -24.247
flat angles P-C4'-P energy: -16.978
tors. eta vs tors. theta energy: -25.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -261.774995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.774995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.774995 (E_RNA)
where:
Base-Base interactions energy: -166.831
where: short stacking energy: -72.005
Base-Backbone interact. energy: -0.175
local terms energy: -94.768674
where:
bonds (distance) C4'-P energy: -19.738
bonds (distance) P-C4' energy: -19.358
flat angles C4'-P-C4' energy: -20.623
flat angles P-C4'-P energy: -14.050
tors. eta vs tors. theta energy: -21.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -281.118310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.118310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.118310 (E_RNA)
where:
Base-Base interactions energy: -185.131
where: short stacking energy: -85.746
Base-Backbone interact. energy: -0.271
local terms energy: -95.715988
where:
bonds (distance) C4'-P energy: -19.337
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -18.860
flat angles P-C4'-P energy: -12.286
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: 6, replica: 5
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -169.498968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.498968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.498968 (E_RNA)
where:
Base-Base interactions energy: -84.585
where: short stacking energy: -45.436
Base-Backbone interact. energy: 0.150
local terms energy: -85.063665
where:
bonds (distance) C4'-P energy: -21.173
bonds (distance) P-C4' energy: -18.227
flat angles C4'-P-C4' energy: -18.543
flat angles P-C4'-P energy: -17.687
tors. eta vs tors. theta energy: -9.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -135.131915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.131915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.131915 (E_RNA)
where:
Base-Base interactions energy: -51.987
where: short stacking energy: -51.531
Base-Backbone interact. energy: -0.103
local terms energy: -83.042002
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -16.054
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: 10
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -108.755444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.755444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.755444 (E_RNA)
where:
Base-Base interactions energy: -41.428
where: short stacking energy: -27.179
Base-Backbone interact. energy: 3.693
local terms energy: -71.019928
where:
bonds (distance) C4'-P energy: -23.661
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -20.099
flat angles P-C4'-P energy: -14.229
tors. eta vs tors. theta energy: 4.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -119.188146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.188146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.188146 (E_RNA)
where:
Base-Base interactions energy: -51.460
where: short stacking energy: -38.174
Base-Backbone interact. energy: -0.257
local terms energy: -67.471008
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -21.725
flat angles C4'-P-C4' energy: -20.177
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: 1.795
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: 7
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -117.353353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.353353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.353353 (E_RNA)
where:
Base-Base interactions energy: -45.338
where: short stacking energy: -43.191
Base-Backbone interact. energy: 1.294
local terms energy: -73.308980
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -15.053
tors. eta vs tors. theta energy: -6.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -397.058768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.058768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.058768 (E_RNA)
where:
Base-Base interactions energy: -283.483
where: short stacking energy: -114.636
Base-Backbone interact. energy: -0.031
local terms energy: -113.544553
where:
bonds (distance) C4'-P energy: -19.637
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -23.824
flat angles P-C4'-P energy: -17.523
tors. eta vs tors. theta energy: -33.727
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: 3
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -328.552486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.552486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.552486 (E_RNA)
where:
Base-Base interactions energy: -213.578
where: short stacking energy: -89.168
Base-Backbone interact. energy: -0.853
local terms energy: -114.120792
where:
bonds (distance) C4'-P energy: -22.315
bonds (distance) P-C4' energy: -24.968
flat angles C4'-P-C4' energy: -22.982
flat angles P-C4'-P energy: -16.182
tors. eta vs tors. theta energy: -27.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -312.501179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.501179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.501179 (E_RNA)
where:
Base-Base interactions energy: -210.282
where: short stacking energy: -88.140
Base-Backbone interact. energy: -0.148
local terms energy: -102.070644
where:
bonds (distance) C4'-P energy: -19.475
bonds (distance) P-C4' energy: -22.238
flat angles C4'-P-C4' energy: -20.362
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -27.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -265.533302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.533302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.533302 (E_RNA)
where:
Base-Base interactions energy: -167.450
where: short stacking energy: -93.542
Base-Backbone interact. energy: 1.231
local terms energy: -99.314138
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -21.302
flat angles C4'-P-C4' energy: -20.871
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -27.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -244.400649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.400649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.400649 (E_RNA)
where:
Base-Base interactions energy: -155.455
where: short stacking energy: -76.830
Base-Backbone interact. energy: -0.088
local terms energy: -88.857746
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -19.989
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -15.943
tors. eta vs tors. theta energy: -19.479
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: 6, replica: 5
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -211.365867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.365867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.365867 (E_RNA)
where:
Base-Base interactions energy: -131.851
where: short stacking energy: -67.835
Base-Backbone interact. energy: -0.746
local terms energy: -78.769463
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -23.084
flat angles P-C4'-P energy: -6.221
tors. eta vs tors. theta energy: -14.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -125.596533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.596533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.596533 (E_RNA)
where:
Base-Base interactions energy: -38.896
where: short stacking energy: -38.081
Base-Backbone interact. energy: 0.010
local terms energy: -86.710637
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -22.046
flat angles C4'-P-C4' energy: -23.327
flat angles P-C4'-P energy: -16.309
tors. eta vs tors. theta energy: -7.560
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: 6
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -113.678753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.678753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.678753 (E_RNA)
where:
Base-Base interactions energy: -43.393
where: short stacking energy: -35.822
Base-Backbone interact. energy: -0.337
local terms energy: -69.948739
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -19.584
flat angles C4'-P-C4' energy: -18.890
flat angles P-C4'-P energy: -14.120
tors. eta vs tors. theta energy: 0.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -107.293460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.293460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.293460 (E_RNA)
where:
Base-Base interactions energy: -36.214
where: short stacking energy: -33.315
Base-Backbone interact. energy: -0.220
local terms energy: -70.860152
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -23.702
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -97.085480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.085480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.085480 (E_RNA)
where:
Base-Base interactions energy: -37.690
where: short stacking energy: -35.992
Base-Backbone interact. energy: 0.666
local terms energy: -60.060737
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: 0.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -391.693534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.693534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.693534 (E_RNA)
where:
Base-Base interactions energy: -278.888
where: short stacking energy: -105.622
Base-Backbone interact. energy: -0.104
local terms energy: -112.701501
where:
bonds (distance) C4'-P energy: -19.860
bonds (distance) P-C4' energy: -22.916
flat angles C4'-P-C4' energy: -23.951
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -34.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -320.082473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.082473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.082473 (E_RNA)
where:
Base-Base interactions energy: -208.758
where: short stacking energy: -92.145
Base-Backbone interact. energy: -0.284
local terms energy: -111.040279
where:
bonds (distance) C4'-P energy: -22.879
bonds (distance) P-C4' energy: -21.270
flat angles C4'-P-C4' energy: -24.256
flat angles P-C4'-P energy: -17.865
tors. eta vs tors. theta energy: -24.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -304.932406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.932406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.932406 (E_RNA)
where:
Base-Base interactions energy: -205.095
where: short stacking energy: -90.350
Base-Backbone interact. energy: -0.022
local terms energy: -99.816210
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -21.450
flat angles C4'-P-C4' energy: -21.559
flat angles P-C4'-P energy: -14.598
tors. eta vs tors. theta energy: -25.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -253.809094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.809094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.809094 (E_RNA)
where:
Base-Base interactions energy: -157.847
where: short stacking energy: -78.471
Base-Backbone interact. energy: -0.711
local terms energy: -95.250819
where:
bonds (distance) C4'-P energy: -22.013
bonds (distance) P-C4' energy: -21.500
flat angles C4'-P-C4' energy: -21.400
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -19.437
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: 1
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -260.598472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.598472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.598472 (E_RNA)
where:
Base-Base interactions energy: -162.912
where: short stacking energy: -80.145
Base-Backbone interact. energy: -0.934
local terms energy: -96.752927
where:
bonds (distance) C4'-P energy: -19.861
bonds (distance) P-C4' energy: -21.601
flat angles C4'-P-C4' energy: -20.673
flat angles P-C4'-P energy: -16.003
tors. eta vs tors. theta energy: -18.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -221.196372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.196372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.196372 (E_RNA)
where:
Base-Base interactions energy: -122.049
where: short stacking energy: -69.601
Base-Backbone interact. energy: -0.047
local terms energy: -99.100023
where:
bonds (distance) C4'-P energy: -18.165
bonds (distance) P-C4' energy: -23.092
flat angles C4'-P-C4' energy: -23.555
flat angles P-C4'-P energy: -15.455
tors. eta vs tors. theta energy: -18.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -141.400593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.400593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.400593 (E_RNA)
where:
Base-Base interactions energy: -64.869
where: short stacking energy: -41.286
Base-Backbone interact. energy: 0.207
local terms energy: -76.738713
where:
bonds (distance) C4'-P energy: -20.125
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -6.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -110.760488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.760488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.760488 (E_RNA)
where:
Base-Base interactions energy: -41.198
where: short stacking energy: -29.399
Base-Backbone interact. energy: -0.320
local terms energy: -69.243056
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -20.750
flat angles C4'-P-C4' energy: -21.557
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -1.460
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: 7
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -121.493343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.493343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.493343 (E_RNA)
where:
Base-Base interactions energy: -47.731
where: short stacking energy: -43.063
Base-Backbone interact. energy: -0.202
local terms energy: -73.560368
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -23.937
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -5.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -110.308164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.308164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.308164 (E_RNA)
where:
Base-Base interactions energy: -57.535
where: short stacking energy: -32.889
Base-Backbone interact. energy: -0.445
local terms energy: -52.327477
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -11.074
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: 1, replica: 9
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -394.527476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.527476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.527476 (E_RNA)
where:
Base-Base interactions energy: -281.167
where: short stacking energy: -115.102
Base-Backbone interact. energy: -0.003
local terms energy: -113.357015
where:
bonds (distance) C4'-P energy: -20.934
bonds (distance) P-C4' energy: -19.399
flat angles C4'-P-C4' energy: -25.508
flat angles P-C4'-P energy: -13.748
tors. eta vs tors. theta energy: -33.767
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: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -312.512386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.512386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.512386 (E_RNA)
where:
Base-Base interactions energy: -210.094
where: short stacking energy: -96.587
Base-Backbone interact. energy: -0.111
local terms energy: -102.307252
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -23.344
flat angles C4'-P-C4' energy: -23.212
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -26.185
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: 3
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -300.210741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.210741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.210741 (E_RNA)
where:
Base-Base interactions energy: -194.502
where: short stacking energy: -89.853
Base-Backbone interact. energy: -1.580
local terms energy: -104.128775
where:
bonds (distance) C4'-P energy: -22.076
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -22.925
flat angles P-C4'-P energy: -15.902
tors. eta vs tors. theta energy: -23.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -281.524934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.524934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.524934 (E_RNA)
where:
Base-Base interactions energy: -178.311
where: short stacking energy: -86.183
Base-Backbone interact. energy: -0.072
local terms energy: -103.142497
where:
bonds (distance) C4'-P energy: -22.337
bonds (distance) P-C4' energy: -19.631
flat angles C4'-P-C4' energy: -24.722
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -22.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -267.293994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.293994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.293994 (E_RNA)
where:
Base-Base interactions energy: -172.604
where: short stacking energy: -70.902
Base-Backbone interact. energy: -0.042
local terms energy: -94.647675
where:
bonds (distance) C4'-P energy: -21.730
bonds (distance) P-C4' energy: -24.508
flat angles C4'-P-C4' energy: -20.757
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -18.976
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: 6, replica: 5
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -211.566576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.566576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.566576 (E_RNA)
where:
Base-Base interactions energy: -132.221
where: short stacking energy: -67.729
Base-Backbone interact. energy: -0.192
local terms energy: -79.153850
where:
bonds (distance) C4'-P energy: -19.475
bonds (distance) P-C4' energy: -20.283
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -9.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -132.088926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.088926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.088926 (E_RNA)
where:
Base-Base interactions energy: -66.922
where: short stacking energy: -31.301
Base-Backbone interact. energy: 0.464
local terms energy: -65.630385
where:
bonds (distance) C4'-P energy: -20.350
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -0.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -127.511964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.511964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.511964 (E_RNA)
where:
Base-Base interactions energy: -52.062
where: short stacking energy: -51.645
Base-Backbone interact. energy: -0.408
local terms energy: -75.041954
where:
bonds (distance) C4'-P energy: -20.838
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -7.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -108.985771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.985771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.985771 (E_RNA)
where:
Base-Base interactions energy: -29.225
where: short stacking energy: -25.999
Base-Backbone interact. energy: -0.112
local terms energy: -79.649353
where:
bonds (distance) C4'-P energy: -22.402
bonds (distance) P-C4' energy: -23.157
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -15.405
tors. eta vs tors. theta energy: -4.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -101.282051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.282051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.282051 (E_RNA)
where:
Base-Base interactions energy: -29.190
where: short stacking energy: -28.577
Base-Backbone interact. energy: 0.880
local terms energy: -72.972055
where:
bonds (distance) C4'-P energy: -18.925
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -19.162
flat angles P-C4'-P energy: -14.189
tors. eta vs tors. theta energy: -4.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -394.613742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.613742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.613742 (E_RNA)
where:
Base-Base interactions energy: -277.757
where: short stacking energy: -115.961
Base-Backbone interact. energy: -0.348
local terms energy: -116.508670
where:
bonds (distance) C4'-P energy: -22.845
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -24.239
flat angles P-C4'-P energy: -13.794
tors. eta vs tors. theta energy: -36.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -310.655466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.655466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.655466 (E_RNA)
where:
Base-Base interactions energy: -217.382
where: short stacking energy: -88.468
Base-Backbone interact. energy: 1.132
local terms energy: -94.405783
where:
bonds (distance) C4'-P energy: -21.458
bonds (distance) P-C4' energy: -21.863
flat angles C4'-P-C4' energy: -20.613
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -23.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -282.494091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.494091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.494091 (E_RNA)
where:
Base-Base interactions energy: -189.393
where: short stacking energy: -90.286
Base-Backbone interact. energy: -0.769
local terms energy: -92.332271
where:
bonds (distance) C4'-P energy: -18.425
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -22.362
flat angles P-C4'-P energy: -14.259
tors. eta vs tors. theta energy: -20.268
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: 1
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -289.064154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.064154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.064154 (E_RNA)
where:
Base-Base interactions energy: -194.500
where: short stacking energy: -91.185
Base-Backbone interact. energy: -0.693
local terms energy: -93.870490
where:
bonds (distance) C4'-P energy: -18.187
bonds (distance) P-C4' energy: -20.512
flat angles C4'-P-C4' energy: -24.181
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -19.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -296.372658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.372658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.372658 (E_RNA)
where:
Base-Base interactions energy: -189.448
where: short stacking energy: -82.227
Base-Backbone interact. energy: -0.227
local terms energy: -106.697258
where:
bonds (distance) C4'-P energy: -22.667
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -24.298
flat angles P-C4'-P energy: -17.138
tors. eta vs tors. theta energy: -25.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -200.915503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.915503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.915503 (E_RNA)
where:
Base-Base interactions energy: -132.041
where: short stacking energy: -57.209
Base-Backbone interact. energy: 0.207
local terms energy: -69.081535
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -20.621
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -9.155
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: 7, replica: 7
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -142.315092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.315092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.315092 (E_RNA)
where:
Base-Base interactions energy: -72.139
where: short stacking energy: -42.354
Base-Backbone interact. energy: -1.720
local terms energy: -68.456231
where:
bonds (distance) C4'-P energy: -17.533
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -19.909
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -3.527
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: 6
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -120.568029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.568029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.568029 (E_RNA)
where:
Base-Base interactions energy: -55.238
where: short stacking energy: -34.707
Base-Backbone interact. energy: -0.289
local terms energy: -65.041070
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -24.691
flat angles C4'-P-C4' energy: -22.193
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: 3.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -114.354971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.354971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.354971 (E_RNA)
where:
Base-Base interactions energy: -31.428
where: short stacking energy: -26.488
Base-Backbone interact. energy: -1.416
local terms energy: -81.510698
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -25.219
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -12.102
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: 10
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -100.479291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.479291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.479291 (E_RNA)
where:
Base-Base interactions energy: -35.793
where: short stacking energy: -23.024
Base-Backbone interact. energy: -0.277
local terms energy: -64.409288
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: 1.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -397.486267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.486267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.486267 (E_RNA)
where:
Base-Base interactions energy: -279.218
where: short stacking energy: -115.206
Base-Backbone interact. energy: -0.005
local terms energy: -118.263405
where:
bonds (distance) C4'-P energy: -20.837
bonds (distance) P-C4' energy: -21.530
flat angles C4'-P-C4' energy: -24.880
flat angles P-C4'-P energy: -16.083
tors. eta vs tors. theta energy: -34.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -321.323990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.323990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.323990 (E_RNA)
where:
Base-Base interactions energy: -225.553
where: short stacking energy: -99.012
Base-Backbone interact. energy: -0.100
local terms energy: -95.671386
where:
bonds (distance) C4'-P energy: -20.585
bonds (distance) P-C4' energy: -17.959
flat angles C4'-P-C4' energy: -21.440
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -22.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -300.420967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.420967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.420967 (E_RNA)
where:
Base-Base interactions energy: -201.016
where: short stacking energy: -89.369
Base-Backbone interact. energy: -0.260
local terms energy: -99.144158
where:
bonds (distance) C4'-P energy: -20.209
bonds (distance) P-C4' energy: -23.275
flat angles C4'-P-C4' energy: -23.329
flat angles P-C4'-P energy: -14.807
tors. eta vs tors. theta energy: -17.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -264.520634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.520634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.520634 (E_RNA)
where:
Base-Base interactions energy: -176.495
where: short stacking energy: -77.455
Base-Backbone interact. energy: 0.256
local terms energy: -88.280983
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -21.702
flat angles C4'-P-C4' energy: -20.407
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -16.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -279.834567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.834567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.834567 (E_RNA)
where:
Base-Base interactions energy: -177.083
where: short stacking energy: -83.424
Base-Backbone interact. energy: -0.230
local terms energy: -102.521563
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -21.459
flat angles C4'-P-C4' energy: -20.779
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -23.473
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: 5
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -246.110458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.110458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.110458 (E_RNA)
where:
Base-Base interactions energy: -150.103
where: short stacking energy: -62.862
Base-Backbone interact. energy: -0.088
local terms energy: -95.919770
where:
bonds (distance) C4'-P energy: -21.223
bonds (distance) P-C4' energy: -17.983
flat angles C4'-P-C4' energy: -23.404
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: -19.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -152.027354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.027354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.027354 (E_RNA)
where:
Base-Base interactions energy: -79.147
where: short stacking energy: -31.752
Base-Backbone interact. energy: -1.294
local terms energy: -71.586275
where:
bonds (distance) C4'-P energy: -16.773
bonds (distance) P-C4' energy: -23.365
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -4.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -118.047159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.047159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.047159 (E_RNA)
where:
Base-Base interactions energy: -47.019
where: short stacking energy: -44.887
Base-Backbone interact. energy: -0.837
local terms energy: -70.190939
where:
bonds (distance) C4'-P energy: -18.144
bonds (distance) P-C4' energy: -18.999
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -12.462
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: 9, replica: 6
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -119.880787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.880787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.880787 (E_RNA)
where:
Base-Base interactions energy: -44.597
where: short stacking energy: -42.855
Base-Backbone interact. energy: -1.085
local terms energy: -74.198771
where:
bonds (distance) C4'-P energy: -24.029
bonds (distance) P-C4' energy: -17.891
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -9.272
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: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -118.743576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.743576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.743576 (E_RNA)
where:
Base-Base interactions energy: -46.581
where: short stacking energy: -40.853
Base-Backbone interact. energy: -0.232
local terms energy: -71.930235
where:
bonds (distance) C4'-P energy: -20.904
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -11.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -396.666467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.666467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.666467 (E_RNA)
where:
Base-Base interactions energy: -278.009
where: short stacking energy: -117.047
Base-Backbone interact. energy: -0.061
local terms energy: -118.596214
where:
bonds (distance) C4'-P energy: -20.830
bonds (distance) P-C4' energy: -21.084
flat angles C4'-P-C4' energy: -25.629
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -36.482
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: 44
Temperature: 0.950000
Total energy: -320.343934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.343934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.343934 (E_RNA)
where:
Base-Base interactions energy: -227.009
where: short stacking energy: -94.564
Base-Backbone interact. energy: 1.398
local terms energy: -94.733015
where:
bonds (distance) C4'-P energy: -22.905
bonds (distance) P-C4' energy: -23.848
flat angles C4'-P-C4' energy: -22.437
flat angles P-C4'-P energy: -5.033
tors. eta vs tors. theta energy: -20.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -297.313102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.313102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.313102 (E_RNA)
where:
Base-Base interactions energy: -203.395
where: short stacking energy: -80.403
Base-Backbone interact. energy: -0.954
local terms energy: -92.963921
where:
bonds (distance) C4'-P energy: -18.896
bonds (distance) P-C4' energy: -20.244
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -20.522
tors. eta vs tors. theta energy: -16.762
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: 4
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -271.804925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.804925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.804925 (E_RNA)
where:
Base-Base interactions energy: -181.014
where: short stacking energy: -77.751
Base-Backbone interact. energy: -0.202
local terms energy: -90.589178
where:
bonds (distance) C4'-P energy: -22.813
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -22.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -290.048018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.048018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.048018 (E_RNA)
where:
Base-Base interactions energy: -191.940
where: short stacking energy: -87.696
Base-Backbone interact. energy: -0.450
local terms energy: -97.657620
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -23.973
flat angles C4'-P-C4' energy: -20.498
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -22.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -242.082042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.082042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.082042 (E_RNA)
where:
Base-Base interactions energy: -146.151
where: short stacking energy: -71.173
Base-Backbone interact. energy: -0.222
local terms energy: -95.709505
where:
bonds (distance) C4'-P energy: -19.120
bonds (distance) P-C4' energy: -24.505
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -21.032
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: 8
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -140.194497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.194497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.194497 (E_RNA)
where:
Base-Base interactions energy: -57.554
where: short stacking energy: -43.249
Base-Backbone interact. energy: -0.910
local terms energy: -81.730207
where:
bonds (distance) C4'-P energy: -17.697
bonds (distance) P-C4' energy: -19.950
flat angles C4'-P-C4' energy: -22.133
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -10.073
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: 8, replica: 7
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -114.670242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.670242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.670242 (E_RNA)
where:
Base-Base interactions energy: -46.898
where: short stacking energy: -40.337
Base-Backbone interact. energy: -0.167
local terms energy: -67.604885
where:
bonds (distance) C4'-P energy: -18.487
bonds (distance) P-C4' energy: -22.997
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -6.634
tors. eta vs tors. theta energy: -2.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -130.092353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.092353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.092353 (E_RNA)
where:
Base-Base interactions energy: -69.612
where: short stacking energy: -41.355
Base-Backbone interact. energy: 1.135
local terms energy: -61.615606
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -18.053
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -1.869
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: 6
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -95.025800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.025800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.025800 (E_RNA)
where:
Base-Base interactions energy: -37.555
where: short stacking energy: -35.984
Base-Backbone interact. energy: 0.008
local terms energy: -57.478931
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -18.960
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -4.618
tors. eta vs tors. theta energy: -0.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -389.322178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.322178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.322178 (E_RNA)
where:
Base-Base interactions energy: -270.882
where: short stacking energy: -113.188
Base-Backbone interact. energy: -0.098
local terms energy: -118.342277
where:
bonds (distance) C4'-P energy: -20.272
bonds (distance) P-C4' energy: -20.334
flat angles C4'-P-C4' energy: -26.300
flat angles P-C4'-P energy: -16.473
tors. eta vs tors. theta energy: -34.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -321.906427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.906427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.906427 (E_RNA)
where:
Base-Base interactions energy: -210.646
where: short stacking energy: -98.978
Base-Backbone interact. energy: 0.099
local terms energy: -111.359784
where:
bonds (distance) C4'-P energy: -21.928
bonds (distance) P-C4' energy: -22.379
flat angles C4'-P-C4' energy: -23.673
flat angles P-C4'-P energy: -14.864
tors. eta vs tors. theta energy: -28.516
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: 2
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -310.198020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.198020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.198020 (E_RNA)
where:
Base-Base interactions energy: -210.003
where: short stacking energy: -93.576
Base-Backbone interact. energy: 0.714
local terms energy: -100.908761
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -21.808
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -17.885
tors. eta vs tors. theta energy: -25.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -295.540190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.540190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.540190 (E_RNA)
where:
Base-Base interactions energy: -191.354
where: short stacking energy: -96.862
Base-Backbone interact. energy: -0.344
local terms energy: -103.842742
where:
bonds (distance) C4'-P energy: -21.521
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -20.525
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: -24.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -273.147773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.147773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.147773 (E_RNA)
where:
Base-Base interactions energy: -168.379
where: short stacking energy: -75.275
Base-Backbone interact. energy: -0.754
local terms energy: -104.015434
where:
bonds (distance) C4'-P energy: -22.345
bonds (distance) P-C4' energy: -21.780
flat angles C4'-P-C4' energy: -20.984
flat angles P-C4'-P energy: -16.172
tors. eta vs tors. theta energy: -22.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -236.403154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.403154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.403154 (E_RNA)
where:
Base-Base interactions energy: -135.620
where: short stacking energy: -75.610
Base-Backbone interact. energy: -0.093
local terms energy: -100.689441
where:
bonds (distance) C4'-P energy: -25.180
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -23.778
flat angles P-C4'-P energy: -14.597
tors. eta vs tors. theta energy: -19.902
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: 8
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -123.720107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.720107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.720107 (E_RNA)
where:
Base-Base interactions energy: -40.513
where: short stacking energy: -40.513
Base-Backbone interact. energy: -0.120
local terms energy: -83.086214
where:
bonds (distance) C4'-P energy: -21.052
bonds (distance) P-C4' energy: -23.065
flat angles C4'-P-C4' energy: -21.987
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -4.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -123.637107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.637107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.637107 (E_RNA)
where:
Base-Base interactions energy: -46.112
where: short stacking energy: -43.905
Base-Backbone interact. energy: -0.724
local terms energy: -76.801228
where:
bonds (distance) C4'-P energy: -21.483
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -20.168
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -9.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -107.051556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.051556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.051556 (E_RNA)
where:
Base-Base interactions energy: -44.765
where: short stacking energy: -35.985
Base-Backbone interact. energy: -0.578
local terms energy: -61.708561
where:
bonds (distance) C4'-P energy: -18.391
bonds (distance) P-C4' energy: -20.028
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -3.449
tors. eta vs tors. theta energy: -1.138
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: 10, replica: 6
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -115.503141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.503141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.503141 (E_RNA)
where:
Base-Base interactions energy: -40.937
where: short stacking energy: -39.341
Base-Backbone interact. energy: -0.326
local terms energy: -74.240263
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -24.850
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -14.876
tors. eta vs tors. theta energy: -5.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -386.636313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.636313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.636313 (E_RNA)
where:
Base-Base interactions energy: -271.931
where: short stacking energy: -110.037
Base-Backbone interact. energy: -0.003
local terms energy: -114.702041
where:
bonds (distance) C4'-P energy: -19.168
bonds (distance) P-C4' energy: -21.204
flat angles C4'-P-C4' energy: -21.837
flat angles P-C4'-P energy: -17.863
tors. eta vs tors. theta energy: -34.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -322.567100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.567100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.567100 (E_RNA)
where:
Base-Base interactions energy: -214.378
where: short stacking energy: -94.231
Base-Backbone interact. energy: 0.123
local terms energy: -108.312244
where:
bonds (distance) C4'-P energy: -19.852
bonds (distance) P-C4' energy: -22.838
flat angles C4'-P-C4' energy: -24.003
flat angles P-C4'-P energy: -14.309
tors. eta vs tors. theta energy: -27.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -305.280661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.280661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.280661 (E_RNA)
where:
Base-Base interactions energy: -200.358
where: short stacking energy: -100.107
Base-Backbone interact. energy: -0.363
local terms energy: -104.559819
where:
bonds (distance) C4'-P energy: -18.300
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -21.717
flat angles P-C4'-P energy: -16.120
tors. eta vs tors. theta energy: -30.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -305.421422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.421422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.421422 (E_RNA)
where:
Base-Base interactions energy: -205.100
where: short stacking energy: -94.056
Base-Backbone interact. energy: -1.286
local terms energy: -99.034859
where:
bonds (distance) C4'-P energy: -22.279
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -25.871
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: 5, replica: 4
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -275.647983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.647983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.647983 (E_RNA)
where:
Base-Base interactions energy: -183.436
where: short stacking energy: -84.298
Base-Backbone interact. energy: -0.036
local terms energy: -92.176159
where:
bonds (distance) C4'-P energy: -22.977
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: -25.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -227.589289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.589289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.589289 (E_RNA)
where:
Base-Base interactions energy: -146.615
where: short stacking energy: -85.896
Base-Backbone interact. energy: -0.445
local terms energy: -80.529065
where:
bonds (distance) C4'-P energy: -18.251
bonds (distance) P-C4' energy: -18.191
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -19.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -129.319430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.319430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.319430 (E_RNA)
where:
Base-Base interactions energy: -55.721
where: short stacking energy: -55.241
Base-Backbone interact. energy: -0.438
local terms energy: -73.160516
where:
bonds (distance) C4'-P energy: -18.135
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -6.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -124.577867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.577867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.577867 (E_RNA)
where:
Base-Base interactions energy: -50.049
where: short stacking energy: -41.159
Base-Backbone interact. energy: -1.664
local terms energy: -72.864622
where:
bonds (distance) C4'-P energy: -21.549
bonds (distance) P-C4' energy: -22.656
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -2.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -118.903967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.903967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.903967 (E_RNA)
where:
Base-Base interactions energy: -57.406
where: short stacking energy: -34.628
Base-Backbone interact. energy: 0.439
local terms energy: -61.936824
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -21.503
flat angles C4'-P-C4' energy: -18.824
flat angles P-C4'-P energy: -4.876
tors. eta vs tors. theta energy: -0.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -99.588713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.588713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.588713 (E_RNA)
where:
Base-Base interactions energy: -37.062
where: short stacking energy: -37.062
Base-Backbone interact. energy: -0.309
local terms energy: -62.217633
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -20.259
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -4.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -391.566470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.566470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.566470 (E_RNA)
where:
Base-Base interactions energy: -279.504
where: short stacking energy: -116.718
Base-Backbone interact. energy: 0.235
local terms energy: -112.297101
where:
bonds (distance) C4'-P energy: -23.466
bonds (distance) P-C4' energy: -23.103
flat angles C4'-P-C4' energy: -21.342
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -36.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -288.624662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.624662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.624662 (E_RNA)
where:
Base-Base interactions energy: -186.825
where: short stacking energy: -86.261
Base-Backbone interact. energy: -0.501
local terms energy: -101.298499
where:
bonds (distance) C4'-P energy: -20.788
bonds (distance) P-C4' energy: -23.105
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -16.892
tors. eta vs tors. theta energy: -22.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -327.252898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.252898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.252898 (E_RNA)
where:
Base-Base interactions energy: -219.297
where: short stacking energy: -99.849
Base-Backbone interact. energy: -0.449
local terms energy: -107.506787
where:
bonds (distance) C4'-P energy: -21.993
bonds (distance) P-C4' energy: -20.451
flat angles C4'-P-C4' energy: -26.132
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -27.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -280.423252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.423252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.423252 (E_RNA)
where:
Base-Base interactions energy: -182.486
where: short stacking energy: -88.537
Base-Backbone interact. energy: -0.035
local terms energy: -97.902850
where:
bonds (distance) C4'-P energy: -8.111
bonds (distance) P-C4' energy: -22.528
flat angles C4'-P-C4' energy: -23.472
flat angles P-C4'-P energy: -16.879
tors. eta vs tors. theta energy: -26.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -302.057670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.057670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.057670 (E_RNA)
where:
Base-Base interactions energy: -196.007
where: short stacking energy: -80.463
Base-Backbone interact. energy: -0.327
local terms energy: -105.723561
where:
bonds (distance) C4'-P energy: -18.263
bonds (distance) P-C4' energy: -24.391
flat angles C4'-P-C4' energy: -23.285
flat angles P-C4'-P energy: -14.234
tors. eta vs tors. theta energy: -25.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -233.500025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.500025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.500025 (E_RNA)
where:
Base-Base interactions energy: -157.586
where: short stacking energy: -71.445
Base-Backbone interact. energy: 0.293
local terms energy: -76.207047
where:
bonds (distance) C4'-P energy: -18.751
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -17.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -117.437131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.437131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.437131 (E_RNA)
where:
Base-Base interactions energy: -41.260
where: short stacking energy: -37.410
Base-Backbone interact. energy: -0.880
local terms energy: -75.297542
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -22.506
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -5.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -119.714262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.714262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.714262 (E_RNA)
where:
Base-Base interactions energy: -54.307
where: short stacking energy: -54.307
Base-Backbone interact. energy: -0.146
local terms energy: -65.261396
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -18.242
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -7.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -109.555748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.555748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.555748 (E_RNA)
where:
Base-Base interactions energy: -43.683
where: short stacking energy: -43.683
Base-Backbone interact. energy: -1.654
local terms energy: -64.218760
where:
bonds (distance) C4'-P energy: -20.706
bonds (distance) P-C4' energy: -21.434
flat angles C4'-P-C4' energy: -8.989
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -4.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -105.407562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.407562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.407562 (E_RNA)
where:
Base-Base interactions energy: -41.817
where: short stacking energy: -37.313
Base-Backbone interact. energy: -0.013
local terms energy: -63.577739
where:
bonds (distance) C4'-P energy: -18.452
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -4.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -390.231671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.231671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.231671 (E_RNA)
where:
Base-Base interactions energy: -279.317
where: short stacking energy: -108.875
Base-Backbone interact. energy: -0.001
local terms energy: -110.913510
where:
bonds (distance) C4'-P energy: -19.588
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -22.910
flat angles P-C4'-P energy: -15.996
tors. eta vs tors. theta energy: -31.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -312.679035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.679035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.679035 (E_RNA)
where:
Base-Base interactions energy: -201.413
where: short stacking energy: -101.719
Base-Backbone interact. energy: -0.063
local terms energy: -111.202189
where:
bonds (distance) C4'-P energy: -19.783
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -24.637
flat angles P-C4'-P energy: -18.430
tors. eta vs tors. theta energy: -31.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -327.342094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.342094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.342094 (E_RNA)
where:
Base-Base interactions energy: -224.984
where: short stacking energy: -94.436
Base-Backbone interact. energy: -0.419
local terms energy: -101.939105
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -19.797
flat angles C4'-P-C4' energy: -18.938
flat angles P-C4'-P energy: -19.188
tors. eta vs tors. theta energy: -27.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -295.051552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.051552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.051552 (E_RNA)
where:
Base-Base interactions energy: -189.591
where: short stacking energy: -87.921
Base-Backbone interact. energy: -0.111
local terms energy: -105.350240
where:
bonds (distance) C4'-P energy: -17.301
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -22.688
flat angles P-C4'-P energy: -15.628
tors. eta vs tors. theta energy: -27.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -292.216803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.216803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.216803 (E_RNA)
where:
Base-Base interactions energy: -189.757
where: short stacking energy: -81.864
Base-Backbone interact. energy: -0.322
local terms energy: -102.137562
where:
bonds (distance) C4'-P energy: -21.938
bonds (distance) P-C4' energy: -22.216
flat angles C4'-P-C4' energy: -21.269
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -24.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -242.874003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.874003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.874003 (E_RNA)
where:
Base-Base interactions energy: -152.732
where: short stacking energy: -60.501
Base-Backbone interact. energy: -0.421
local terms energy: -89.721062
where:
bonds (distance) C4'-P energy: -20.970
bonds (distance) P-C4' energy: -20.480
flat angles C4'-P-C4' energy: -19.867
flat angles P-C4'-P energy: -16.849
tors. eta vs tors. theta energy: -11.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -127.663046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.663046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.663046 (E_RNA)
where:
Base-Base interactions energy: -60.911
where: short stacking energy: -46.112
Base-Backbone interact. energy: -0.181
local terms energy: -66.571107
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -16.534
tors. eta vs tors. theta energy: -6.780
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: 8, replica: 10
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -125.809703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.809703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.809703 (E_RNA)
where:
Base-Base interactions energy: -56.741
where: short stacking energy: -47.185
Base-Backbone interact. energy: -0.269
local terms energy: -68.799283
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -11.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -101.724841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.724841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.724841 (E_RNA)
where:
Base-Base interactions energy: -35.455
where: short stacking energy: -32.365
Base-Backbone interact. energy: 0.057
local terms energy: -66.327355
where:
bonds (distance) C4'-P energy: -20.229
bonds (distance) P-C4' energy: -19.875
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: 0.115
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: 8
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -125.131389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.131389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.131389 (E_RNA)
where:
Base-Base interactions energy: -60.736
where: short stacking energy: -40.353
Base-Backbone interact. energy: -0.992
local terms energy: -63.404141
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -22.753
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -0.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -399.241253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.241253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.241253 (E_RNA)
where:
Base-Base interactions energy: -277.269
where: short stacking energy: -110.884
Base-Backbone interact. energy: -0.001
local terms energy: -121.971689
where:
bonds (distance) C4'-P energy: -24.369
bonds (distance) P-C4' energy: -22.327
flat angles C4'-P-C4' energy: -22.782
flat angles P-C4'-P energy: -18.050
tors. eta vs tors. theta energy: -34.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -335.158796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.158796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.158796 (E_RNA)
where:
Base-Base interactions energy: -228.984
where: short stacking energy: -91.673
Base-Backbone interact. energy: -0.044
local terms energy: -106.130970
where:
bonds (distance) C4'-P energy: -25.005
bonds (distance) P-C4' energy: -22.652
flat angles C4'-P-C4' energy: -21.172
flat angles P-C4'-P energy: -8.075
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: 3, replica: 1
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -294.984045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.984045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.984045 (E_RNA)
where:
Base-Base interactions energy: -184.966
where: short stacking energy: -86.855
Base-Backbone interact. energy: -0.118
local terms energy: -109.900029
where:
bonds (distance) C4'-P energy: -22.138
bonds (distance) P-C4' energy: -21.019
flat angles C4'-P-C4' energy: -22.955
flat angles P-C4'-P energy: -14.548
tors. eta vs tors. theta energy: -29.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -291.480550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.480550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.480550 (E_RNA)
where:
Base-Base interactions energy: -188.219
where: short stacking energy: -87.373
Base-Backbone interact. energy: -0.122
local terms energy: -103.139180
where:
bonds (distance) C4'-P energy: -21.269
bonds (distance) P-C4' energy: -20.809
flat angles C4'-P-C4' energy: -23.087
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -27.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -299.312736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.312736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.312736 (E_RNA)
where:
Base-Base interactions energy: -200.594
where: short stacking energy: -92.119
Base-Backbone interact. energy: -0.110
local terms energy: -98.608862
where:
bonds (distance) C4'-P energy: -18.317
bonds (distance) P-C4' energy: -19.581
flat angles C4'-P-C4' energy: -19.261
flat angles P-C4'-P energy: -19.261
tors. eta vs tors. theta energy: -22.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -273.574674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.574674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.574674 (E_RNA)
where:
Base-Base interactions energy: -169.625
where: short stacking energy: -81.174
Base-Backbone interact. energy: -0.704
local terms energy: -103.245354
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -20.765
flat angles C4'-P-C4' energy: -23.676
flat angles P-C4'-P energy: -13.988
tors. eta vs tors. theta energy: -28.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -126.100390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.100390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.100390 (E_RNA)
where:
Base-Base interactions energy: -52.282
where: short stacking energy: -43.831
Base-Backbone interact. energy: -0.729
local terms energy: -73.089233
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -23.524
flat angles C4'-P-C4' energy: -21.144
flat angles P-C4'-P energy: -10.079
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: 8, replica: 10
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -119.122455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.122455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.122455 (E_RNA)
where:
Base-Base interactions energy: -52.565
where: short stacking energy: -36.887
Base-Backbone interact. energy: -0.157
local terms energy: -66.400602
where:
bonds (distance) C4'-P energy: -21.970
bonds (distance) P-C4' energy: -19.275
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: 2.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -99.365292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.365292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.365292 (E_RNA)
where:
Base-Base interactions energy: -26.363
where: short stacking energy: -24.671
Base-Backbone interact. energy: -0.930
local terms energy: -72.072580
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -17.845
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -7.482
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: 8
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -112.077295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.077295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.077295 (E_RNA)
where:
Base-Base interactions energy: -38.823
where: short stacking energy: -25.833
Base-Backbone interact. energy: -0.288
local terms energy: -72.965977
where:
bonds (distance) C4'-P energy: -19.587
bonds (distance) P-C4' energy: -20.628
flat angles C4'-P-C4' energy: -21.488
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: 2.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -396.209285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.209285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.209285 (E_RNA)
where:
Base-Base interactions energy: -276.093
where: short stacking energy: -112.561
Base-Backbone interact. energy: -0.056
local terms energy: -120.059561
where:
bonds (distance) C4'-P energy: -21.620
bonds (distance) P-C4' energy: -21.756
flat angles C4'-P-C4' energy: -24.567
flat angles P-C4'-P energy: -18.702
tors. eta vs tors. theta energy: -33.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -336.511063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.511063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.511063 (E_RNA)
where:
Base-Base interactions energy: -232.647
where: short stacking energy: -97.831
Base-Backbone interact. energy: -1.987
local terms energy: -101.876881
where:
bonds (distance) C4'-P energy: -22.030
bonds (distance) P-C4' energy: -20.084
flat angles C4'-P-C4' energy: -22.610
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -27.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -294.363644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.363644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.363644 (E_RNA)
where:
Base-Base interactions energy: -194.254
where: short stacking energy: -96.094
Base-Backbone interact. energy: -0.056
local terms energy: -100.053549
where:
bonds (distance) C4'-P energy: -19.232
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -28.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -302.984006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.984006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.984006 (E_RNA)
where:
Base-Base interactions energy: -191.946
where: short stacking energy: -89.830
Base-Backbone interact. energy: 1.847
local terms energy: -112.885089
where:
bonds (distance) C4'-P energy: -23.462
bonds (distance) P-C4' energy: -24.539
flat angles C4'-P-C4' energy: -22.722
flat angles P-C4'-P energy: -15.675
tors. eta vs tors. theta energy: -26.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -316.585496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.585496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.585496 (E_RNA)
where:
Base-Base interactions energy: -206.213
where: short stacking energy: -86.949
Base-Backbone interact. energy: -0.054
local terms energy: -110.318337
where:
bonds (distance) C4'-P energy: -20.059
bonds (distance) P-C4' energy: -24.536
flat angles C4'-P-C4' energy: -23.834
flat angles P-C4'-P energy: -16.832
tors. eta vs tors. theta energy: -25.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -330.491728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.491728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.491728 (E_RNA)
where:
Base-Base interactions energy: -235.922
where: short stacking energy: -88.220
Base-Backbone interact. energy: -0.277
local terms energy: -94.291986
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -19.605
flat angles C4'-P-C4' energy: -20.790
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -28.666
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: 7, replica: 10
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -118.821428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.821428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.821428 (E_RNA)
where:
Base-Base interactions energy: -51.247
where: short stacking energy: -39.493
Base-Backbone interact. energy: -0.239
local terms energy: -67.335533
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -12.721
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: 8, replica: 6
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -109.192434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.192434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.192434 (E_RNA)
where:
Base-Base interactions energy: -41.548
where: short stacking energy: -33.638
Base-Backbone interact. energy: -1.399
local terms energy: -66.245037
where:
bonds (distance) C4'-P energy: -24.583
bonds (distance) P-C4' energy: -18.658
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: -0.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -109.185183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.185183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.185183 (E_RNA)
where:
Base-Base interactions energy: -41.070
where: short stacking energy: -41.070
Base-Backbone interact. energy: -0.142
local terms energy: -67.973767
where:
bonds (distance) C4'-P energy: -21.985
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -6.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -102.233468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.233468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.233468 (E_RNA)
where:
Base-Base interactions energy: -48.205
where: short stacking energy: -28.966
Base-Backbone interact. energy: 0.163
local terms energy: -54.192051
where:
bonds (distance) C4'-P energy: -19.326
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -1.736
tors. eta vs tors. theta energy: 3.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -398.630150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.630150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.630150 (E_RNA)
where:
Base-Base interactions energy: -287.028
where: short stacking energy: -115.069
Base-Backbone interact. energy: -0.068
local terms energy: -111.534539
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -22.446
flat angles C4'-P-C4' energy: -20.643
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -34.092
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: 3
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -332.409613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.409613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.409613 (E_RNA)
where:
Base-Base interactions energy: -224.671
where: short stacking energy: -90.832
Base-Backbone interact. energy: -0.708
local terms energy: -107.030921
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -22.679
flat angles C4'-P-C4' energy: -23.852
flat angles P-C4'-P energy: -16.372
tors. eta vs tors. theta energy: -25.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -293.881599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.881599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.881599 (E_RNA)
where:
Base-Base interactions energy: -183.773
where: short stacking energy: -86.719
Base-Backbone interact. energy: -0.140
local terms energy: -109.968301
where:
bonds (distance) C4'-P energy: -20.914
bonds (distance) P-C4' energy: -22.400
flat angles C4'-P-C4' energy: -22.790
flat angles P-C4'-P energy: -16.587
tors. eta vs tors. theta energy: -27.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -305.548178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.548178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.548178 (E_RNA)
where:
Base-Base interactions energy: -207.796
where: short stacking energy: -85.927
Base-Backbone interact. energy: -0.196
local terms energy: -97.556705
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -22.147
flat angles P-C4'-P energy: -14.788
tors. eta vs tors. theta energy: -22.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -273.031181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.031181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.031181 (E_RNA)
where:
Base-Base interactions energy: -173.229
where: short stacking energy: -84.444
Base-Backbone interact. energy: -0.960
local terms energy: -98.842826
where:
bonds (distance) C4'-P energy: -23.364
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -20.051
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -24.205
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: 5
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -365.156092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.156092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.156092 (E_RNA)
where:
Base-Base interactions energy: -264.054
where: short stacking energy: -99.150
Base-Backbone interact. energy: -0.109
local terms energy: -100.993378
where:
bonds (distance) C4'-P energy: -20.375
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -23.129
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -29.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -122.920549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.920549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.920549 (E_RNA)
where:
Base-Base interactions energy: -51.827
where: short stacking energy: -50.976
Base-Backbone interact. energy: -0.177
local terms energy: -70.916122
where:
bonds (distance) C4'-P energy: -21.104
bonds (distance) P-C4' energy: -13.273
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -11.480
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: 8, replica: 7
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -120.507004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.507004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.507004 (E_RNA)
where:
Base-Base interactions energy: -44.684
where: short stacking energy: -44.597
Base-Backbone interact. energy: -0.341
local terms energy: -75.482239
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -22.287
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -8.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -120.601758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.601758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.601758 (E_RNA)
where:
Base-Base interactions energy: -44.508
where: short stacking energy: -37.241
Base-Backbone interact. energy: -0.101
local terms energy: -75.992651
where:
bonds (distance) C4'-P energy: -17.496
bonds (distance) P-C4' energy: -22.221
flat angles C4'-P-C4' energy: -18.133
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -6.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -98.034420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.034420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.034420 (E_RNA)
where:
Base-Base interactions energy: -28.703
where: short stacking energy: -26.576
Base-Backbone interact. energy: -0.034
local terms energy: -69.297424
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -21.363
flat angles C4'-P-C4' energy: -22.076
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -1.591
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: 9
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -395.216709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.216709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.216709 (E_RNA)
where:
Base-Base interactions energy: -275.096
where: short stacking energy: -109.969
Base-Backbone interact. energy: -0.171
local terms energy: -119.949246
where:
bonds (distance) C4'-P energy: -23.705
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -25.701
flat angles P-C4'-P energy: -19.445
tors. eta vs tors. theta energy: -33.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -333.445899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.445899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.445899 (E_RNA)
where:
Base-Base interactions energy: -226.047
where: short stacking energy: -101.217
Base-Backbone interact. energy: -0.016
local terms energy: -107.382918
where:
bonds (distance) C4'-P energy: -19.891
bonds (distance) P-C4' energy: -19.671
flat angles C4'-P-C4' energy: -24.362
flat angles P-C4'-P energy: -16.103
tors. eta vs tors. theta energy: -27.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -303.423782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.423782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.423782 (E_RNA)
where:
Base-Base interactions energy: -199.760
where: short stacking energy: -95.765
Base-Backbone interact. energy: -0.748
local terms energy: -102.916216
where:
bonds (distance) C4'-P energy: -22.127
bonds (distance) P-C4' energy: -21.993
flat angles C4'-P-C4' energy: -18.526
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -27.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -278.053046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.053046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.053046 (E_RNA)
where:
Base-Base interactions energy: -177.821
where: short stacking energy: -78.211
Base-Backbone interact. energy: -0.051
local terms energy: -100.181046
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -24.108
flat angles P-C4'-P energy: -16.341
tors. eta vs tors. theta energy: -24.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -369.705260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.705260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.705260 (E_RNA)
where:
Base-Base interactions energy: -258.738
where: short stacking energy: -105.474
Base-Backbone interact. energy: -0.005
local terms energy: -110.962578
where:
bonds (distance) C4'-P energy: -21.061
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -23.768
flat angles P-C4'-P energy: -16.253
tors. eta vs tors. theta energy: -34.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -243.698012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.698012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.698012 (E_RNA)
where:
Base-Base interactions energy: -151.703
where: short stacking energy: -64.256
Base-Backbone interact. energy: -0.249
local terms energy: -91.745991
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -19.253
flat angles C4'-P-C4' energy: -20.122
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -21.810
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: 7, replica: 7
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -123.860671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.860671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.860671 (E_RNA)
where:
Base-Base interactions energy: -48.606
where: short stacking energy: -46.584
Base-Backbone interact. energy: -0.612
local terms energy: -74.642247
where:
bonds (distance) C4'-P energy: -18.677
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -18.884
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -3.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -112.064238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.064238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.064238 (E_RNA)
where:
Base-Base interactions energy: -48.973
where: short stacking energy: -32.798
Base-Backbone interact. energy: -0.431
local terms energy: -62.659916
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -0.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -112.516738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.516738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.516738 (E_RNA)
where:
Base-Base interactions energy: -49.249
where: short stacking energy: -32.799
Base-Backbone interact. energy: 0.596
local terms energy: -63.863299
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -22.138
flat angles C4'-P-C4' energy: -21.272
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: 5.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -100.745895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.745895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.745895 (E_RNA)
where:
Base-Base interactions energy: -30.546
where: short stacking energy: -28.658
Base-Backbone interact. energy: 1.471
local terms energy: -71.670171
where:
bonds (distance) C4'-P energy: -22.183
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -19.222
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -4.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -396.017449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.017449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.017449 (E_RNA)
where:
Base-Base interactions energy: -279.888
where: short stacking energy: -115.445
Base-Backbone interact. energy: -0.968
local terms energy: -115.162223
where:
bonds (distance) C4'-P energy: -19.289
bonds (distance) P-C4' energy: -23.604
flat angles C4'-P-C4' energy: -24.594
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -34.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -351.192127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.192127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.192127 (E_RNA)
where:
Base-Base interactions energy: -246.636
where: short stacking energy: -97.725
Base-Backbone interact. energy: -0.505
local terms energy: -104.050708
where:
bonds (distance) C4'-P energy: -20.334
bonds (distance) P-C4' energy: -22.611
flat angles C4'-P-C4' energy: -21.942
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -25.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -310.813189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.813189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.813189 (E_RNA)
where:
Base-Base interactions energy: -203.008
where: short stacking energy: -95.532
Base-Backbone interact. energy: -0.169
local terms energy: -107.636510
where:
bonds (distance) C4'-P energy: -21.041
bonds (distance) P-C4' energy: -20.620
flat angles C4'-P-C4' energy: -24.328
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: -26.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -384.624274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.624274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.624274 (E_RNA)
where:
Base-Base interactions energy: -269.398
where: short stacking energy: -110.293
Base-Backbone interact. energy: -0.078
local terms energy: -115.148956
where:
bonds (distance) C4'-P energy: -22.262
bonds (distance) P-C4' energy: -22.122
flat angles C4'-P-C4' energy: -21.699
flat angles P-C4'-P energy: -15.823
tors. eta vs tors. theta energy: -33.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -271.024985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.024985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.024985 (E_RNA)
where:
Base-Base interactions energy: -184.408
where: short stacking energy: -81.999
Base-Backbone interact. energy: -0.597
local terms energy: -86.020354
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -16.482
tors. eta vs tors. theta energy: -20.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -229.590807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.590807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.590807 (E_RNA)
where:
Base-Base interactions energy: -142.571
where: short stacking energy: -60.965
Base-Backbone interact. energy: 2.315
local terms energy: -89.334640
where:
bonds (distance) C4'-P energy: -24.024
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -14.622
tors. eta vs tors. theta energy: -14.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -131.371738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.371738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.371738 (E_RNA)
where:
Base-Base interactions energy: -55.193
where: short stacking energy: -38.888
Base-Backbone interact. energy: -0.554
local terms energy: -75.624324
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -21.778
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -17.468
tors. eta vs tors. theta energy: -4.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -121.495992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.495992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.495992 (E_RNA)
where:
Base-Base interactions energy: -53.867
where: short stacking energy: -23.855
Base-Backbone interact. energy: 0.348
local terms energy: -67.976647
where:
bonds (distance) C4'-P energy: -19.164
bonds (distance) P-C4' energy: -21.280
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: 3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -119.649587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.649587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.649587 (E_RNA)
where:
Base-Base interactions energy: -56.192
where: short stacking energy: -37.617
Base-Backbone interact. energy: -0.151
local terms energy: -63.305960
where:
bonds (distance) C4'-P energy: -20.131
bonds (distance) P-C4' energy: -8.764
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -6.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -102.646839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.646839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.646839 (E_RNA)
where:
Base-Base interactions energy: -40.305
where: short stacking energy: -35.666
Base-Backbone interact. energy: 0.563
local terms energy: -62.904659
where:
bonds (distance) C4'-P energy: -20.519
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: 0.872
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: 9
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -386.514674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.514674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.514674 (E_RNA)
where:
Base-Base interactions energy: -271.289
where: short stacking energy: -105.393
Base-Backbone interact. energy: -0.090
local terms energy: -115.134911
where:
bonds (distance) C4'-P energy: -20.252
bonds (distance) P-C4' energy: -22.235
flat angles C4'-P-C4' energy: -21.288
flat angles P-C4'-P energy: -16.245
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: 2, replica: 3
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -340.112007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.112007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.112007 (E_RNA)
where:
Base-Base interactions energy: -237.257
where: short stacking energy: -97.283
Base-Backbone interact. energy: -0.080
local terms energy: -102.774463
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -23.012
flat angles C4'-P-C4' energy: -21.857
flat angles P-C4'-P energy: -13.159
tors. eta vs tors. theta energy: -27.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -388.715343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.715343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.715343 (E_RNA)
where:
Base-Base interactions energy: -268.787
where: short stacking energy: -106.530
Base-Backbone interact. energy: -0.529
local terms energy: -119.399557
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -21.403
flat angles C4'-P-C4' energy: -24.769
flat angles P-C4'-P energy: -18.419
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: 4, replica: 2
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -310.185203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.185203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.185203 (E_RNA)
where:
Base-Base interactions energy: -200.407
where: short stacking energy: -93.768
Base-Backbone interact. energy: -0.032
local terms energy: -109.746167
where:
bonds (distance) C4'-P energy: -22.634
bonds (distance) P-C4' energy: -23.958
flat angles C4'-P-C4' energy: -23.339
flat angles P-C4'-P energy: -13.405
tors. eta vs tors. theta energy: -26.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -244.774397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.774397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.774397 (E_RNA)
where:
Base-Base interactions energy: -151.546
where: short stacking energy: -67.758
Base-Backbone interact. energy: -0.197
local terms energy: -93.031378
where:
bonds (distance) C4'-P energy: -20.701
bonds (distance) P-C4' energy: -24.021
flat angles C4'-P-C4' energy: -22.036
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -14.692
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: 1
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -237.367090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.367090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.367090 (E_RNA)
where:
Base-Base interactions energy: -147.730
where: short stacking energy: -76.312
Base-Backbone interact. energy: -0.183
local terms energy: -89.453666
where:
bonds (distance) C4'-P energy: -18.258
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -22.103
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -18.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -117.630983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.630983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.630983 (E_RNA)
where:
Base-Base interactions energy: -36.615
where: short stacking energy: -35.960
Base-Backbone interact. energy: 0.721
local terms energy: -81.737172
where:
bonds (distance) C4'-P energy: -20.714
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -19.437
tors. eta vs tors. theta energy: -6.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -125.864572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.864572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.864572 (E_RNA)
where:
Base-Base interactions energy: -45.793
where: short stacking energy: -44.327
Base-Backbone interact. energy: -0.082
local terms energy: -79.989474
where:
bonds (distance) C4'-P energy: -20.340
bonds (distance) P-C4' energy: -24.319
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -8.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -114.607573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.607573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.607573 (E_RNA)
where:
Base-Base interactions energy: -54.185
where: short stacking energy: -31.593
Base-Backbone interact. energy: -0.817
local terms energy: -59.605184
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -10.597
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: 1.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -114.002196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.002196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.002196 (E_RNA)
where:
Base-Base interactions energy: -46.397
where: short stacking energy: -44.908
Base-Backbone interact. energy: 2.109
local terms energy: -69.714204
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -21.712
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -5.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -395.710175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.710175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.710175 (E_RNA)
where:
Base-Base interactions energy: -278.291
where: short stacking energy: -113.042
Base-Backbone interact. energy: -0.320
local terms energy: -117.099095
where:
bonds (distance) C4'-P energy: -25.090
bonds (distance) P-C4' energy: -21.223
flat angles C4'-P-C4' energy: -22.542
flat angles P-C4'-P energy: -15.747
tors. eta vs tors. theta energy: -32.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -384.822262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.822262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.822262 (E_RNA)
where:
Base-Base interactions energy: -274.980
where: short stacking energy: -113.437
Base-Backbone interact. energy: -0.241
local terms energy: -109.601511
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -23.376
flat angles P-C4'-P energy: -17.420
tors. eta vs tors. theta energy: -33.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -334.811432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.811432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.811432 (E_RNA)
where:
Base-Base interactions energy: -220.602
where: short stacking energy: -100.418
Base-Backbone interact. energy: -0.035
local terms energy: -114.174795
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -25.405
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -18.065
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: 4, replica: 2
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -296.663675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.663675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.663675 (E_RNA)
where:
Base-Base interactions energy: -188.871
where: short stacking energy: -92.640
Base-Backbone interact. energy: -0.868
local terms energy: -106.925037
where:
bonds (distance) C4'-P energy: -22.171
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -22.055
flat angles P-C4'-P energy: -15.782
tors. eta vs tors. theta energy: -28.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -276.554318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.554318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.554318 (E_RNA)
where:
Base-Base interactions energy: -174.790
where: short stacking energy: -75.466
Base-Backbone interact. energy: -0.113
local terms energy: -101.651302
where:
bonds (distance) C4'-P energy: -21.323
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -17.566
tors. eta vs tors. theta energy: -27.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -203.502796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.502796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.502796 (E_RNA)
where:
Base-Base interactions energy: -114.787
where: short stacking energy: -68.884
Base-Backbone interact. energy: -1.401
local terms energy: -87.315123
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -20.652
flat angles C4'-P-C4' energy: -21.009
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: -14.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -156.221967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.221967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.221967 (E_RNA)
where:
Base-Base interactions energy: -80.309
where: short stacking energy: -54.980
Base-Backbone interact. energy: -1.523
local terms energy: -74.389019
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -23.589
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -13.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -116.672677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.672677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.672677 (E_RNA)
where:
Base-Base interactions energy: -48.830
where: short stacking energy: -38.725
Base-Backbone interact. energy: -0.446
local terms energy: -67.396183
where:
bonds (distance) C4'-P energy: -19.165
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -21.794
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -2.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -189.030312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.030312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.030312 (E_RNA)
where:
Base-Base interactions energy: -128.506
where: short stacking energy: -47.240
Base-Backbone interact. energy: -0.914
local terms energy: -59.610876
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -7.908
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: 55
Temperature: 1.350000
Total energy: -105.365290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.365290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.365290 (E_RNA)
where:
Base-Base interactions energy: -36.552
where: short stacking energy: -34.966
Base-Backbone interact. energy: -0.300
local terms energy: -68.513380
where:
bonds (distance) C4'-P energy: -22.792
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -14.171
tors. eta vs tors. theta energy: -2.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -395.836360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.836360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.836360 (E_RNA)
where:
Base-Base interactions energy: -276.202
where: short stacking energy: -112.625
Base-Backbone interact. energy: -0.013
local terms energy: -119.621317
where:
bonds (distance) C4'-P energy: -24.672
bonds (distance) P-C4' energy: -23.755
flat angles C4'-P-C4' energy: -20.260
flat angles P-C4'-P energy: -20.192
tors. eta vs tors. theta energy: -30.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -385.593860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.593860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.593860 (E_RNA)
where:
Base-Base interactions energy: -276.776
where: short stacking energy: -108.046
Base-Backbone interact. energy: -0.134
local terms energy: -108.683407
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -23.983
flat angles C4'-P-C4' energy: -21.186
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -36.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -331.400521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.400521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.400521 (E_RNA)
where:
Base-Base interactions energy: -236.751
where: short stacking energy: -105.764
Base-Backbone interact. energy: -0.017
local terms energy: -94.632873
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -29.751
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: 2
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -292.328739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.328739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.328739 (E_RNA)
where:
Base-Base interactions energy: -197.988
where: short stacking energy: -87.441
Base-Backbone interact. energy: -0.076
local terms energy: -94.264480
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -21.611
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -16.567
tors. eta vs tors. theta energy: -26.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -272.186898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.186898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.186898 (E_RNA)
where:
Base-Base interactions energy: -182.251
where: short stacking energy: -85.280
Base-Backbone interact. energy: -0.157
local terms energy: -89.778730
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -19.159
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -24.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -210.246504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.246504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.246504 (E_RNA)
where:
Base-Base interactions energy: -126.846
where: short stacking energy: -75.041
Base-Backbone interact. energy: -0.025
local terms energy: -83.375096
where:
bonds (distance) C4'-P energy: -21.778
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -16.773
tors. eta vs tors. theta energy: -16.909
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: 6
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -146.230175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.230175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.230175 (E_RNA)
where:
Base-Base interactions energy: -68.350
where: short stacking energy: -44.089
Base-Backbone interact. energy: 0.947
local terms energy: -78.827700
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -20.775
flat angles C4'-P-C4' energy: -20.166
flat angles P-C4'-P energy: -15.587
tors. eta vs tors. theta energy: -5.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -220.352225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.352225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.352225 (E_RNA)
where:
Base-Base interactions energy: -138.237
where: short stacking energy: -62.414
Base-Backbone interact. energy: -0.229
local terms energy: -81.885333
where:
bonds (distance) C4'-P energy: -18.689
bonds (distance) P-C4' energy: -22.395
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -11.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -107.471093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.471093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.471093 (E_RNA)
where:
Base-Base interactions energy: -53.476
where: short stacking energy: -39.484
Base-Backbone interact. energy: -0.108
local terms energy: -53.886726
where:
bonds (distance) C4'-P energy: -4.891
bonds (distance) P-C4' energy: -19.225
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -9.163
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: 10, replica: 7
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -117.134366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.134366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.134366 (E_RNA)
where:
Base-Base interactions energy: -73.974
where: short stacking energy: -38.808
Base-Backbone interact. energy: 1.139
local terms energy: -44.299795
where:
bonds (distance) C4'-P energy: -17.587
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -3.157
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: 0.135
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: 9
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -391.015785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.015785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.015785 (E_RNA)
where:
Base-Base interactions energy: -269.166
where: short stacking energy: -110.103
Base-Backbone interact. energy: -0.103
local terms energy: -121.746754
where:
bonds (distance) C4'-P energy: -21.148
bonds (distance) P-C4' energy: -21.933
flat angles C4'-P-C4' energy: -24.537
flat angles P-C4'-P energy: -17.339
tors. eta vs tors. theta energy: -36.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -394.039221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.039221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.039221 (E_RNA)
where:
Base-Base interactions energy: -275.173
where: short stacking energy: -113.960
Base-Backbone interact. energy: -0.027
local terms energy: -118.839030
where:
bonds (distance) C4'-P energy: -23.310
bonds (distance) P-C4' energy: -25.375
flat angles C4'-P-C4' energy: -23.987
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -34.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -325.366619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.366619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.366619 (E_RNA)
where:
Base-Base interactions energy: -216.351
where: short stacking energy: -98.270
Base-Backbone interact. energy: -0.871
local terms energy: -108.145183
where:
bonds (distance) C4'-P energy: -21.673
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -22.013
flat angles P-C4'-P energy: -17.139
tors. eta vs tors. theta energy: -31.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -310.496599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.496599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.496599 (E_RNA)
where:
Base-Base interactions energy: -200.121
where: short stacking energy: -96.188
Base-Backbone interact. energy: -0.016
local terms energy: -110.359553
where:
bonds (distance) C4'-P energy: -24.373
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -26.152
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -23.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -251.881160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.881160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.881160 (E_RNA)
where:
Base-Base interactions energy: -170.928
where: short stacking energy: -67.129
Base-Backbone interact. energy: -0.155
local terms energy: -80.798096
where:
bonds (distance) C4'-P energy: -21.310
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -22.256
flat angles P-C4'-P energy: -3.282
tors. eta vs tors. theta energy: -13.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -226.323287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.323287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.323287 (E_RNA)
where:
Base-Base interactions energy: -135.913
where: short stacking energy: -67.550
Base-Backbone interact. energy: -0.198
local terms energy: -90.212746
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -20.126
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -19.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -128.941192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.941192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.941192 (E_RNA)
where:
Base-Base interactions energy: -52.653
where: short stacking energy: -50.318
Base-Backbone interact. energy: -0.023
local terms energy: -76.264965
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -10.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -220.081934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.081934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.081934 (E_RNA)
where:
Base-Base interactions energy: -130.568
where: short stacking energy: -54.457
Base-Backbone interact. energy: -0.415
local terms energy: -89.098571
where:
bonds (distance) C4'-P energy: -20.887
bonds (distance) P-C4' energy: -24.667
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -16.915
tors. eta vs tors. theta energy: -10.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -115.356152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.356152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.356152 (E_RNA)
where:
Base-Base interactions energy: -37.393
where: short stacking energy: -34.915
Base-Backbone interact. energy: -0.411
local terms energy: -77.551889
where:
bonds (distance) C4'-P energy: -18.258
bonds (distance) P-C4' energy: -19.397
flat angles C4'-P-C4' energy: -22.618
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -7.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -110.074083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.074083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.074083 (E_RNA)
where:
Base-Base interactions energy: -37.213
where: short stacking energy: -28.436
Base-Backbone interact. energy: -0.424
local terms energy: -72.436749
where:
bonds (distance) C4'-P energy: -21.248
bonds (distance) P-C4' energy: -18.960
flat angles C4'-P-C4' energy: -7.359
flat angles P-C4'-P energy: -18.525
tors. eta vs tors. theta energy: -6.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -391.988161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.988161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.988161 (E_RNA)
where:
Base-Base interactions energy: -273.510
where: short stacking energy: -108.308
Base-Backbone interact. energy: -0.009
local terms energy: -118.469426
where:
bonds (distance) C4'-P energy: -18.964
bonds (distance) P-C4' energy: -21.898
flat angles C4'-P-C4' energy: -23.347
flat angles P-C4'-P energy: -20.825
tors. eta vs tors. theta energy: -33.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -385.657885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.657885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.657885 (E_RNA)
where:
Base-Base interactions energy: -271.021
where: short stacking energy: -112.035
Base-Backbone interact. energy: -0.354
local terms energy: -114.282934
where:
bonds (distance) C4'-P energy: -21.504
bonds (distance) P-C4' energy: -20.020
flat angles C4'-P-C4' energy: -22.368
flat angles P-C4'-P energy: -16.511
tors. eta vs tors. theta energy: -33.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -335.149555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.149555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.149555 (E_RNA)
where:
Base-Base interactions energy: -227.984
where: short stacking energy: -96.151
Base-Backbone interact. energy: 0.181
local terms energy: -107.346286
where:
bonds (distance) C4'-P energy: -24.374
bonds (distance) P-C4' energy: -19.740
flat angles C4'-P-C4' energy: -21.864
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -29.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -293.432242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.432242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.432242 (E_RNA)
where:
Base-Base interactions energy: -194.555
where: short stacking energy: -86.897
Base-Backbone interact. energy: -0.006
local terms energy: -98.871547
where:
bonds (distance) C4'-P energy: -20.143
bonds (distance) P-C4' energy: -20.188
flat angles C4'-P-C4' energy: -19.029
flat angles P-C4'-P energy: -16.043
tors. eta vs tors. theta energy: -23.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -240.603163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.603163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.603163 (E_RNA)
where:
Base-Base interactions energy: -171.922
where: short stacking energy: -75.435
Base-Backbone interact. energy: -0.652
local terms energy: -68.029385
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -17.075
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -14.702
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: 6, replica: 1
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -218.535799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.535799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.535799 (E_RNA)
where:
Base-Base interactions energy: -142.269
where: short stacking energy: -65.894
Base-Backbone interact. energy: -0.523
local terms energy: -75.743310
where:
bonds (distance) C4'-P energy: -22.669
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -12.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -197.393450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.393450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.393450 (E_RNA)
where:
Base-Base interactions energy: -117.314
where: short stacking energy: -58.680
Base-Backbone interact. energy: 0.616
local terms energy: -80.695348
where:
bonds (distance) C4'-P energy: -21.512
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -16.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -116.145128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.145128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.145128 (E_RNA)
where:
Base-Base interactions energy: -46.776
where: short stacking energy: -39.529
Base-Backbone interact. energy: 0.382
local terms energy: -69.750931
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -19.326
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -6.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -123.945513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.945513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.945513 (E_RNA)
where:
Base-Base interactions energy: -53.041
where: short stacking energy: -49.325
Base-Backbone interact. energy: -0.654
local terms energy: -70.250260
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -20.606
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -3.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -102.166412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.166412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.166412 (E_RNA)
where:
Base-Base interactions energy: -34.428
where: short stacking energy: -33.905
Base-Backbone interact. energy: -0.146
local terms energy: -67.592397
where:
bonds (distance) C4'-P energy: -20.507
bonds (distance) P-C4' energy: -19.652
flat angles C4'-P-C4' energy: -18.850
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -0.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -392.282649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.282649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.282649 (E_RNA)
where:
Base-Base interactions energy: -278.002
where: short stacking energy: -112.540
Base-Backbone interact. energy: -0.003
local terms energy: -114.278482
where:
bonds (distance) C4'-P energy: -21.603
bonds (distance) P-C4' energy: -22.186
flat angles C4'-P-C4' energy: -22.064
flat angles P-C4'-P energy: -14.473
tors. eta vs tors. theta energy: -33.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -386.633715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.633715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.633715 (E_RNA)
where:
Base-Base interactions energy: -270.057
where: short stacking energy: -111.143
Base-Backbone interact. energy: -0.538
local terms energy: -116.038167
where:
bonds (distance) C4'-P energy: -23.976
bonds (distance) P-C4' energy: -20.760
flat angles C4'-P-C4' energy: -23.589
flat angles P-C4'-P energy: -16.651
tors. eta vs tors. theta energy: -31.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -343.447399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.447399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.447399 (E_RNA)
where:
Base-Base interactions energy: -237.571
where: short stacking energy: -100.175
Base-Backbone interact. energy: -0.415
local terms energy: -105.461776
where:
bonds (distance) C4'-P energy: -22.436
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -14.847
tors. eta vs tors. theta energy: -30.579
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: 2
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -294.733309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.733309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.733309 (E_RNA)
where:
Base-Base interactions energy: -189.031
where: short stacking energy: -86.979
Base-Backbone interact. energy: -0.692
local terms energy: -105.009791
where:
bonds (distance) C4'-P energy: -21.198
bonds (distance) P-C4' energy: -21.022
flat angles C4'-P-C4' energy: -23.943
flat angles P-C4'-P energy: -16.379
tors. eta vs tors. theta energy: -22.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -246.470134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.470134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.470134 (E_RNA)
where:
Base-Base interactions energy: -153.070
where: short stacking energy: -74.025
Base-Backbone interact. energy: -0.448
local terms energy: -92.952209
where:
bonds (distance) C4'-P energy: -21.393
bonds (distance) P-C4' energy: -20.564
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -20.593
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: 1
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -250.014215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.014215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.014215 (E_RNA)
where:
Base-Base interactions energy: -160.269
where: short stacking energy: -74.472
Base-Backbone interact. energy: -0.164
local terms energy: -89.581572
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -23.006
flat angles C4'-P-C4' energy: -21.813
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -13.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -218.091478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.091478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.091478 (E_RNA)
where:
Base-Base interactions energy: -133.958
where: short stacking energy: -75.831
Base-Backbone interact. energy: -0.265
local terms energy: -83.868727
where:
bonds (distance) C4'-P energy: -19.761
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -20.516
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -12.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -127.179548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.179548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.179548 (E_RNA)
where:
Base-Base interactions energy: -54.217
where: short stacking energy: -46.359
Base-Backbone interact. energy: -0.032
local terms energy: -72.930089
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -13.623
tors. eta vs tors. theta energy: -6.514
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: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -135.544277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.544277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.544277 (E_RNA)
where:
Base-Base interactions energy: -65.577
where: short stacking energy: -38.122
Base-Backbone interact. energy: -0.244
local terms energy: -69.723051
where:
bonds (distance) C4'-P energy: -19.182
bonds (distance) P-C4' energy: -21.638
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -2.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -96.512022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.512022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.512022 (E_RNA)
where:
Base-Base interactions energy: -43.054
where: short stacking energy: -34.900
Base-Backbone interact. energy: -0.850
local terms energy: -52.608651
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: 1.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -388.520438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.520438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.520438 (E_RNA)
where:
Base-Base interactions energy: -274.691
where: short stacking energy: -114.989
Base-Backbone interact. energy: -0.125
local terms energy: -113.704437
where:
bonds (distance) C4'-P energy: -19.186
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -22.920
flat angles P-C4'-P energy: -16.203
tors. eta vs tors. theta energy: -37.077
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: 5
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -387.491511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.491511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.491511 (E_RNA)
where:
Base-Base interactions energy: -268.257
where: short stacking energy: -107.240
Base-Backbone interact. energy: 0.536
local terms energy: -119.770228
where:
bonds (distance) C4'-P energy: -19.936
bonds (distance) P-C4' energy: -23.871
flat angles C4'-P-C4' energy: -25.602
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -35.136
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: 3
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -339.822752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.822752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.822752 (E_RNA)
where:
Base-Base interactions energy: -245.561
where: short stacking energy: -103.098
Base-Backbone interact. energy: -0.059
local terms energy: -94.202924
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -19.777
flat angles C4'-P-C4' energy: -23.071
flat angles P-C4'-P energy: -6.933
tors. eta vs tors. theta energy: -27.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -292.744437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.744437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.744437 (E_RNA)
where:
Base-Base interactions energy: -188.524
where: short stacking energy: -85.019
Base-Backbone interact. energy: -0.040
local terms energy: -104.180567
where:
bonds (distance) C4'-P energy: -22.076
bonds (distance) P-C4' energy: -18.503
flat angles C4'-P-C4' energy: -24.885
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -26.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -243.807714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.807714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.807714 (E_RNA)
where:
Base-Base interactions energy: -151.280
where: short stacking energy: -60.795
Base-Backbone interact. energy: -0.213
local terms energy: -92.314493
where:
bonds (distance) C4'-P energy: -20.751
bonds (distance) P-C4' energy: -18.804
flat angles C4'-P-C4' energy: -22.187
flat angles P-C4'-P energy: -14.892
tors. eta vs tors. theta energy: -15.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -221.691870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.691870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.691870 (E_RNA)
where:
Base-Base interactions energy: -146.800
where: short stacking energy: -64.354
Base-Backbone interact. energy: -0.238
local terms energy: -74.653504
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -7.335
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: 7, replica: 8
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -215.254420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.254420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.254420 (E_RNA)
where:
Base-Base interactions energy: -128.759
where: short stacking energy: -63.278
Base-Backbone interact. energy: -0.016
local terms energy: -86.478581
where:
bonds (distance) C4'-P energy: -19.327
bonds (distance) P-C4' energy: -19.816
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -14.138
tors. eta vs tors. theta energy: -16.494
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: 7
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -117.621472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.621472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.621472 (E_RNA)
where:
Base-Base interactions energy: -40.605
where: short stacking energy: -40.605
Base-Backbone interact. energy: -0.227
local terms energy: -76.789723
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -24.986
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -6.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -116.737544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.737544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.737544 (E_RNA)
where:
Base-Base interactions energy: -44.999
where: short stacking energy: -42.663
Base-Backbone interact. energy: -0.364
local terms energy: -71.374979
where:
bonds (distance) C4'-P energy: -22.398
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -17.981
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -1.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -127.212380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.212380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.212380 (E_RNA)
where:
Base-Base interactions energy: -64.688
where: short stacking energy: -39.739
Base-Backbone interact. energy: -1.171
local terms energy: -61.353338
where:
bonds (distance) C4'-P energy: -20.018
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -3.574
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: 9
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -392.821426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.821426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.821426 (E_RNA)
where:
Base-Base interactions energy: -273.193
where: short stacking energy: -113.222
Base-Backbone interact. energy: -0.100
local terms energy: -119.529234
where:
bonds (distance) C4'-P energy: -22.622
bonds (distance) P-C4' energy: -21.890
flat angles C4'-P-C4' energy: -22.661
flat angles P-C4'-P energy: -17.184
tors. eta vs tors. theta energy: -35.172
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: 5
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -392.116279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.116279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.116279 (E_RNA)
where:
Base-Base interactions energy: -274.553
where: short stacking energy: -113.614
Base-Backbone interact. energy: -0.002
local terms energy: -117.561483
where:
bonds (distance) C4'-P energy: -22.441
bonds (distance) P-C4' energy: -23.976
flat angles C4'-P-C4' energy: -23.966
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -34.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -322.301909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.301909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.301909 (E_RNA)
where:
Base-Base interactions energy: -225.578
where: short stacking energy: -90.776
Base-Backbone interact. energy: -0.040
local terms energy: -96.684035
where:
bonds (distance) C4'-P energy: -20.398
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -15.062
tors. eta vs tors. theta energy: -28.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -311.997510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.997510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.997510 (E_RNA)
where:
Base-Base interactions energy: -205.557
where: short stacking energy: -94.629
Base-Backbone interact. energy: -0.433
local terms energy: -106.007952
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -24.885
flat angles P-C4'-P energy: -16.050
tors. eta vs tors. theta energy: -27.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -235.148423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.148423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.148423 (E_RNA)
where:
Base-Base interactions energy: -152.542
where: short stacking energy: -77.399
Base-Backbone interact. energy: 0.100
local terms energy: -82.706664
where:
bonds (distance) C4'-P energy: -19.315
bonds (distance) P-C4' energy: -17.613
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -17.743
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: 61
Temperature: 1.150000
Total energy: -254.722791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.722791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.722791 (E_RNA)
where:
Base-Base interactions energy: -157.894
where: short stacking energy: -75.725
Base-Backbone interact. energy: -0.291
local terms energy: -96.537543
where:
bonds (distance) C4'-P energy: -20.065
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -22.113
flat angles P-C4'-P energy: -15.012
tors. eta vs tors. theta energy: -21.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -228.060329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.060329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.060329 (E_RNA)
where:
Base-Base interactions energy: -135.531
where: short stacking energy: -56.417
Base-Backbone interact. energy: 0.068
local terms energy: -92.597581
where:
bonds (distance) C4'-P energy: -20.101
bonds (distance) P-C4' energy: -23.408
flat angles C4'-P-C4' energy: -19.608
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -15.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -112.877983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.877983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.877983 (E_RNA)
where:
Base-Base interactions energy: -41.268
where: short stacking energy: -38.152
Base-Backbone interact. energy: -1.446
local terms energy: -70.163984
where:
bonds (distance) C4'-P energy: -20.377
bonds (distance) P-C4' energy: -12.537
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -17.056
tors. eta vs tors. theta energy: -2.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -113.214327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.214327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.214327 (E_RNA)
where:
Base-Base interactions energy: -30.393
where: short stacking energy: -25.223
Base-Backbone interact. energy: 0.652
local terms energy: -83.472886
where:
bonds (distance) C4'-P energy: -21.533
bonds (distance) P-C4' energy: -23.073
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -18.424
tors. eta vs tors. theta energy: 0.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -104.719770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.719770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.719770 (E_RNA)
where:
Base-Base interactions energy: -43.440
where: short stacking energy: -35.222
Base-Backbone interact. energy: -0.320
local terms energy: -60.960369
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -3.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -392.233404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.233404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.233404 (E_RNA)
where:
Base-Base interactions energy: -282.598
where: short stacking energy: -113.689
Base-Backbone interact. energy: -0.166
local terms energy: -109.469786
where:
bonds (distance) C4'-P energy: -21.577
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -20.655
flat angles P-C4'-P energy: -15.302
tors. eta vs tors. theta energy: -32.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -386.979886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.979886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.979886 (E_RNA)
where:
Base-Base interactions energy: -274.037
where: short stacking energy: -113.885
Base-Backbone interact. energy: -0.120
local terms energy: -112.822886
where:
bonds (distance) C4'-P energy: -22.279
bonds (distance) P-C4' energy: -22.092
flat angles C4'-P-C4' energy: -23.433
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -35.290
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: 2
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -313.529574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.529574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.529574 (E_RNA)
where:
Base-Base interactions energy: -199.297
where: short stacking energy: -92.091
Base-Backbone interact. energy: -1.844
local terms energy: -112.389220
where:
bonds (distance) C4'-P energy: -22.713
bonds (distance) P-C4' energy: -21.980
flat angles C4'-P-C4' energy: -20.601
flat angles P-C4'-P energy: -17.200
tors. eta vs tors. theta energy: -29.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -320.889941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.889941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.889941 (E_RNA)
where:
Base-Base interactions energy: -212.949
where: short stacking energy: -96.480
Base-Backbone interact. energy: -0.005
local terms energy: -107.935292
where:
bonds (distance) C4'-P energy: -21.128
bonds (distance) P-C4' energy: -23.408
flat angles C4'-P-C4' energy: -18.083
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -32.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -256.754718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.754718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.754718 (E_RNA)
where:
Base-Base interactions energy: -160.263
where: short stacking energy: -74.477
Base-Backbone interact. energy: 0.424
local terms energy: -96.916158
where:
bonds (distance) C4'-P energy: -18.660
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -20.885
flat angles P-C4'-P energy: -17.744
tors. eta vs tors. theta energy: -22.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -247.875732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.875732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.875732 (E_RNA)
where:
Base-Base interactions energy: -155.399
where: short stacking energy: -73.288
Base-Backbone interact. energy: -0.203
local terms energy: -92.273020
where:
bonds (distance) C4'-P energy: -20.335
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -21.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -246.422127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.422127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.422127 (E_RNA)
where:
Base-Base interactions energy: -164.852
where: short stacking energy: -72.245
Base-Backbone interact. energy: -0.386
local terms energy: -81.183974
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -17.145
flat angles C4'-P-C4' energy: -19.129
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -18.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -111.080044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.080044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.080044 (E_RNA)
where:
Base-Base interactions energy: -47.175
where: short stacking energy: -44.860
Base-Backbone interact. energy: 1.103
local terms energy: -65.008126
where:
bonds (distance) C4'-P energy: -17.132
bonds (distance) P-C4' energy: -19.296
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -3.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -111.896543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.896543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.896543 (E_RNA)
where:
Base-Base interactions energy: -46.568
where: short stacking energy: -35.061
Base-Backbone interact. energy: -0.455
local terms energy: -64.873738
where:
bonds (distance) C4'-P energy: -21.264
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -9.290
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -4.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -99.687380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.687380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.687380 (E_RNA)
where:
Base-Base interactions energy: -31.077
where: short stacking energy: -24.877
Base-Backbone interact. energy: 2.055
local terms energy: -70.665471
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -21.430
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -14.926
tors. eta vs tors. theta energy: 0.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -391.408002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.408002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.408002 (E_RNA)
where:
Base-Base interactions energy: -290.299
where: short stacking energy: -111.551
Base-Backbone interact. energy: -0.140
local terms energy: -100.968368
where:
bonds (distance) C4'-P energy: -21.364
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -21.634
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: -30.647
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: 9
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -394.258238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.258238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.258238 (E_RNA)
where:
Base-Base interactions energy: -282.389
where: short stacking energy: -112.480
Base-Backbone interact. energy: -0.383
local terms energy: -111.485626
where:
bonds (distance) C4'-P energy: -21.633
bonds (distance) P-C4' energy: -23.061
flat angles C4'-P-C4' energy: -19.575
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -32.406
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: 2
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -298.022864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.022864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.022864 (E_RNA)
where:
Base-Base interactions energy: -207.542
where: short stacking energy: -97.387
Base-Backbone interact. energy: -0.031
local terms energy: -90.449185
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -20.257
flat angles C4'-P-C4' energy: -20.069
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -23.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -309.724344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.724344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.724344 (E_RNA)
where:
Base-Base interactions energy: -203.620
where: short stacking energy: -100.655
Base-Backbone interact. energy: -0.113
local terms energy: -105.991519
where:
bonds (distance) C4'-P energy: -20.950
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -19.189
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: -33.094
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: 1
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -248.792254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.792254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.792254 (E_RNA)
where:
Base-Base interactions energy: -153.310
where: short stacking energy: -75.924
Base-Backbone interact. energy: -0.250
local terms energy: -95.231845
where:
bonds (distance) C4'-P energy: -21.797
bonds (distance) P-C4' energy: -22.068
flat angles C4'-P-C4' energy: -20.159
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -17.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -243.037099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.037099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.037099 (E_RNA)
where:
Base-Base interactions energy: -168.432
where: short stacking energy: -81.103
Base-Backbone interact. energy: -0.183
local terms energy: -74.422094
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -5.580
flat angles P-C4'-P energy: -16.097
tors. eta vs tors. theta energy: -22.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -259.339791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.339791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.339791 (E_RNA)
where:
Base-Base interactions energy: -163.843
where: short stacking energy: -68.139
Base-Backbone interact. energy: -0.215
local terms energy: -95.282103
where:
bonds (distance) C4'-P energy: -21.455
bonds (distance) P-C4' energy: -24.850
flat angles C4'-P-C4' energy: -22.264
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -14.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -117.964324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.964324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.964324 (E_RNA)
where:
Base-Base interactions energy: -38.002
where: short stacking energy: -36.535
Base-Backbone interact. energy: -0.181
local terms energy: -79.782024
where:
bonds (distance) C4'-P energy: -20.714
bonds (distance) P-C4' energy: -24.111
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -15.595
tors. eta vs tors. theta energy: -0.870
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: 10
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -98.816869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.816869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.816869 (E_RNA)
where:
Base-Base interactions energy: -28.884
where: short stacking energy: -28.052
Base-Backbone interact. energy: -0.909
local terms energy: -69.023620
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -23.446
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -4.883
tors. eta vs tors. theta energy: -6.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -109.293661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.293661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.293661 (E_RNA)
where:
Base-Base interactions energy: -42.035
where: short stacking energy: -31.143
Base-Backbone interact. energy: 0.066
local terms energy: -67.324041
where:
bonds (distance) C4'-P energy: -18.333
bonds (distance) P-C4' energy: -23.488
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -2.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -394.152377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.152377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.152377 (E_RNA)
where:
Base-Base interactions energy: -276.530
where: short stacking energy: -115.090
Base-Backbone interact. energy: -0.010
local terms energy: -117.611883
where:
bonds (distance) C4'-P energy: -19.364
bonds (distance) P-C4' energy: -21.033
flat angles C4'-P-C4' energy: -23.845
flat angles P-C4'-P energy: -19.822
tors. eta vs tors. theta energy: -33.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -390.751321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.751321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.751321 (E_RNA)
where:
Base-Base interactions energy: -273.680
where: short stacking energy: -110.447
Base-Backbone interact. energy: -0.371
local terms energy: -116.700320
where:
bonds (distance) C4'-P energy: -20.913
bonds (distance) P-C4' energy: -26.196
flat angles C4'-P-C4' energy: -25.623
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -29.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -326.670144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.670144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.670144 (E_RNA)
where:
Base-Base interactions energy: -213.612
where: short stacking energy: -93.637
Base-Backbone interact. energy: -0.042
local terms energy: -113.016353
where:
bonds (distance) C4'-P energy: -22.672
bonds (distance) P-C4' energy: -21.713
flat angles C4'-P-C4' energy: -24.996
flat angles P-C4'-P energy: -16.699
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: 4, replica: 2
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -299.873196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.873196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.873196 (E_RNA)
where:
Base-Base interactions energy: -202.256
where: short stacking energy: -94.820
Base-Backbone interact. energy: -0.063
local terms energy: -97.553273
where:
bonds (distance) C4'-P energy: -10.930
bonds (distance) P-C4' energy: -23.938
flat angles C4'-P-C4' energy: -21.206
flat angles P-C4'-P energy: -17.695
tors. eta vs tors. theta energy: -23.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -242.073445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.073445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.073445 (E_RNA)
where:
Base-Base interactions energy: -149.497
where: short stacking energy: -80.285
Base-Backbone interact. energy: -0.242
local terms energy: -92.334780
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -21.356
flat angles C4'-P-C4' energy: -24.999
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: -16.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -227.824930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.824930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.824930 (E_RNA)
where:
Base-Base interactions energy: -139.382
where: short stacking energy: -76.239
Base-Backbone interact. energy: -0.080
local terms energy: -88.362658
where:
bonds (distance) C4'-P energy: -23.565
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -21.844
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -15.530
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: 8
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -244.584431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.584431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.584431 (E_RNA)
where:
Base-Base interactions energy: -164.390
where: short stacking energy: -75.753
Base-Backbone interact. energy: -1.225
local terms energy: -78.969269
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -23.403
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -4.959
tors. eta vs tors. theta energy: -17.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -114.328899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.328899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.328899 (E_RNA)
where:
Base-Base interactions energy: -49.594
where: short stacking energy: -48.972
Base-Backbone interact. energy: -0.256
local terms energy: -64.478362
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -0.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -132.217320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.217320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.217320 (E_RNA)
where:
Base-Base interactions energy: -67.043
where: short stacking energy: -33.530
Base-Backbone interact. energy: -0.792
local terms energy: -64.381790
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -19.612
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -2.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -100.957170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.957170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.957170 (E_RNA)
where:
Base-Base interactions energy: -39.069
where: short stacking energy: -28.195
Base-Backbone interact. energy: -0.237
local terms energy: -61.650684
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -10.480
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: 1.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -394.410553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.410553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.410553 (E_RNA)
where:
Base-Base interactions energy: -281.488
where: short stacking energy: -121.174
Base-Backbone interact. energy: -0.001
local terms energy: -112.921387
where:
bonds (distance) C4'-P energy: -21.211
bonds (distance) P-C4' energy: -19.782
flat angles C4'-P-C4' energy: -21.922
flat angles P-C4'-P energy: -16.388
tors. eta vs tors. theta energy: -33.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -383.576588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.576588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.576588 (E_RNA)
where:
Base-Base interactions energy: -270.437
where: short stacking energy: -104.015
Base-Backbone interact. energy: -0.002
local terms energy: -113.137203
where:
bonds (distance) C4'-P energy: -23.669
bonds (distance) P-C4' energy: -20.983
flat angles C4'-P-C4' energy: -19.398
flat angles P-C4'-P energy: -15.702
tors. eta vs tors. theta energy: -33.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -334.226061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.226061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.226061 (E_RNA)
where:
Base-Base interactions energy: -231.072
where: short stacking energy: -92.550
Base-Backbone interact. energy: -0.102
local terms energy: -103.051923
where:
bonds (distance) C4'-P energy: -20.196
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -18.966
flat angles P-C4'-P energy: -16.655
tors. eta vs tors. theta energy: -29.489
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: 2
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -287.337304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.337304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.337304 (E_RNA)
where:
Base-Base interactions energy: -190.001
where: short stacking energy: -91.075
Base-Backbone interact. energy: -0.072
local terms energy: -97.264007
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -21.461
flat angles C4'-P-C4' energy: -25.737
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -21.923
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: 4
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -233.998794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.998794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.998794 (E_RNA)
where:
Base-Base interactions energy: -139.718
where: short stacking energy: -66.080
Base-Backbone interact. energy: 0.112
local terms energy: -94.392541
where:
bonds (distance) C4'-P energy: -19.070
bonds (distance) P-C4' energy: -26.183
flat angles C4'-P-C4' energy: -21.896
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -251.647566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.647566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.647566 (E_RNA)
where:
Base-Base interactions energy: -163.587
where: short stacking energy: -80.569
Base-Backbone interact. energy: -0.190
local terms energy: -87.870443
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -18.504
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -24.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -217.936585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.936585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.936585 (E_RNA)
where:
Base-Base interactions energy: -139.181
where: short stacking energy: -78.298
Base-Backbone interact. energy: -0.415
local terms energy: -78.340100
where:
bonds (distance) C4'-P energy: -19.853
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -22.403
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -9.585
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: 6
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -140.187213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.187213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.187213 (E_RNA)
where:
Base-Base interactions energy: -64.687
where: short stacking energy: -41.673
Base-Backbone interact. energy: -0.477
local terms energy: -75.023318
where:
bonds (distance) C4'-P energy: -18.055
bonds (distance) P-C4' energy: -20.979
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -6.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -101.542271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.542271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.542271 (E_RNA)
where:
Base-Base interactions energy: -49.813
where: short stacking energy: -40.369
Base-Backbone interact. energy: -0.731
local terms energy: -50.998364
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -12.432
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -1.912
tors. eta vs tors. theta energy: -3.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -107.447384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.447384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.447384 (E_RNA)
where:
Base-Base interactions energy: -34.439
where: short stacking energy: -34.439
Base-Backbone interact. energy: -0.604
local terms energy: -72.404312
where:
bonds (distance) C4'-P energy: -18.176
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -5.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -393.063052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.063052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.063052 (E_RNA)
where:
Base-Base interactions energy: -270.996
where: short stacking energy: -110.826
Base-Backbone interact. energy: -0.234
local terms energy: -121.833615
where:
bonds (distance) C4'-P energy: -21.253
bonds (distance) P-C4' energy: -25.354
flat angles C4'-P-C4' energy: -24.718
flat angles P-C4'-P energy: -17.471
tors. eta vs tors. theta energy: -33.038
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: 9
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -386.952139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.952139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.952139 (E_RNA)
where:
Base-Base interactions energy: -270.122
where: short stacking energy: -114.889
Base-Backbone interact. energy: -0.009
local terms energy: -116.820699
where:
bonds (distance) C4'-P energy: -18.692
bonds (distance) P-C4' energy: -21.763
flat angles C4'-P-C4' energy: -25.223
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -37.283
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: 3
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -328.259066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.259066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.259066 (E_RNA)
where:
Base-Base interactions energy: -218.557
where: short stacking energy: -97.559
Base-Backbone interact. energy: -0.676
local terms energy: -109.026263
where:
bonds (distance) C4'-P energy: -23.059
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -22.656
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -28.763
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: 2
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -305.876881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.876881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.876881 (E_RNA)
where:
Base-Base interactions energy: -213.297
where: short stacking energy: -97.384
Base-Backbone interact. energy: -0.417
local terms energy: -92.163729
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -19.845
flat angles C4'-P-C4' energy: -21.223
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -22.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -271.426707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.426707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.426707 (E_RNA)
where:
Base-Base interactions energy: -175.912
where: short stacking energy: -80.797
Base-Backbone interact. energy: -1.225
local terms energy: -94.289369
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -18.024
tors. eta vs tors. theta energy: -20.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -238.641288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.641288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.641288 (E_RNA)
where:
Base-Base interactions energy: -150.139
where: short stacking energy: -79.176
Base-Backbone interact. energy: 2.128
local terms energy: -90.630196
where:
bonds (distance) C4'-P energy: -22.488
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -23.287
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -16.222
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: 6
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -148.282575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.282575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.282575 (E_RNA)
where:
Base-Base interactions energy: -80.981
where: short stacking energy: -46.991
Base-Backbone interact. energy: -0.423
local terms energy: -66.878566
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -19.035
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -4.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -197.603790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.603790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.603790 (E_RNA)
where:
Base-Base interactions energy: -116.225
where: short stacking energy: -60.915
Base-Backbone interact. energy: -0.354
local terms energy: -81.024575
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -15.076
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: 10
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -112.773393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.773393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.773393 (E_RNA)
where:
Base-Base interactions energy: -50.406
where: short stacking energy: -44.903
Base-Backbone interact. energy: -0.433
local terms energy: -61.933834
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -23.376
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -5.231
tors. eta vs tors. theta energy: -5.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -91.534053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.534053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.534053 (E_RNA)
where:
Base-Base interactions energy: -29.512
where: short stacking energy: -25.433
Base-Backbone interact. energy: -1.482
local terms energy: -60.540647
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -21.579
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: 3.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -387.375377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.375377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.375377 (E_RNA)
where:
Base-Base interactions energy: -271.413
where: short stacking energy: -114.539
Base-Backbone interact. energy: -0.002
local terms energy: -115.960278
where:
bonds (distance) C4'-P energy: -18.205
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -25.160
flat angles P-C4'-P energy: -16.122
tors. eta vs tors. theta energy: -34.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -390.405592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.405592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.405592 (E_RNA)
where:
Base-Base interactions energy: -266.898
where: short stacking energy: -100.292
Base-Backbone interact. energy: -0.082
local terms energy: -123.425392
where:
bonds (distance) C4'-P energy: -23.612
bonds (distance) P-C4' energy: -24.976
flat angles C4'-P-C4' energy: -24.713
flat angles P-C4'-P energy: -14.877
tors. eta vs tors. theta energy: -35.248
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: 67
Temperature: 1.000000
Total energy: -324.040689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.040689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.040689 (E_RNA)
where:
Base-Base interactions energy: -207.901
where: short stacking energy: -89.705
Base-Backbone interact. energy: -0.032
local terms energy: -116.107092
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -22.122
flat angles C4'-P-C4' energy: -24.346
flat angles P-C4'-P energy: -20.144
tors. eta vs tors. theta energy: -33.469
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: 67
Temperature: 1.050000
Total energy: -295.478785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.478785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.478785 (E_RNA)
where:
Base-Base interactions energy: -195.744
where: short stacking energy: -92.126
Base-Backbone interact. energy: -1.201
local terms energy: -98.533576
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -20.565
flat angles C4'-P-C4' energy: -21.085
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -25.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -266.783993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.783993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.783993 (E_RNA)
where:
Base-Base interactions energy: -169.810
where: short stacking energy: -87.286
Base-Backbone interact. energy: -0.695
local terms energy: -96.279125
where:
bonds (distance) C4'-P energy: -21.631
bonds (distance) P-C4' energy: -19.257
flat angles C4'-P-C4' energy: -20.352
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -23.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -231.709722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.709722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.709722 (E_RNA)
where:
Base-Base interactions energy: -150.731
where: short stacking energy: -73.957
Base-Backbone interact. energy: -0.242
local terms energy: -80.736435
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -21.648
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -15.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -122.349744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.349744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.349744 (E_RNA)
where:
Base-Base interactions energy: -48.723
where: short stacking energy: -36.685
Base-Backbone interact. energy: -0.277
local terms energy: -73.349423
where:
bonds (distance) C4'-P energy: -23.939
bonds (distance) P-C4' energy: -18.674
flat angles C4'-P-C4' energy: -18.155
flat angles P-C4'-P energy: -4.584
tors. eta vs tors. theta energy: -7.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -250.489214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.489214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.489214 (E_RNA)
where:
Base-Base interactions energy: -164.878
where: short stacking energy: -71.178
Base-Backbone interact. energy: -0.023
local terms energy: -85.588441
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -19.774
flat angles P-C4'-P energy: -15.129
tors. eta vs tors. theta energy: -16.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -111.913225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.913225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.913225 (E_RNA)
where:
Base-Base interactions energy: -43.179
where: short stacking energy: -35.855
Base-Backbone interact. energy: -0.035
local terms energy: -68.699609
where:
bonds (distance) C4'-P energy: -22.975
bonds (distance) P-C4' energy: -20.526
flat angles C4'-P-C4' energy: -8.534
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -8.796
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: 10, replica: 7
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -98.789526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.789526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.789526 (E_RNA)
where:
Base-Base interactions energy: -42.876
where: short stacking energy: -40.767
Base-Backbone interact. energy: -0.178
local terms energy: -55.735370
where:
bonds (distance) C4'-P energy: -17.145
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -9.746
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -5.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -389.494862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.494862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.494862 (E_RNA)
where:
Base-Base interactions energy: -276.593
where: short stacking energy: -110.432
Base-Backbone interact. energy: -0.305
local terms energy: -112.596182
where:
bonds (distance) C4'-P energy: -20.854
bonds (distance) P-C4' energy: -21.240
flat angles C4'-P-C4' energy: -21.351
flat angles P-C4'-P energy: -16.621
tors. eta vs tors. theta energy: -32.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -390.875170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.875170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.875170 (E_RNA)
where:
Base-Base interactions energy: -268.493
where: short stacking energy: -102.632
Base-Backbone interact. energy: -0.002
local terms energy: -122.379867
where:
bonds (distance) C4'-P energy: -24.766
bonds (distance) P-C4' energy: -24.151
flat angles C4'-P-C4' energy: -22.448
flat angles P-C4'-P energy: -17.993
tors. eta vs tors. theta energy: -33.022
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: 68
Temperature: 1.000000
Total energy: -332.212810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.212810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.212810 (E_RNA)
where:
Base-Base interactions energy: -217.729
where: short stacking energy: -99.078
Base-Backbone interact. energy: -0.482
local terms energy: -114.001562
where:
bonds (distance) C4'-P energy: -21.495
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -19.910
flat angles P-C4'-P energy: -18.400
tors. eta vs tors. theta energy: -29.558
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: 68
Temperature: 1.050000
Total energy: -297.785837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.785837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.785837 (E_RNA)
where:
Base-Base interactions energy: -199.237
where: short stacking energy: -97.141
Base-Backbone interact. energy: -1.420
local terms energy: -97.128061
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -20.361
flat angles C4'-P-C4' energy: -19.854
flat angles P-C4'-P energy: -15.787
tors. eta vs tors. theta energy: -23.578
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: 8
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -257.337911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.337911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.337911 (E_RNA)
where:
Base-Base interactions energy: -155.413
where: short stacking energy: -73.567
Base-Backbone interact. energy: -0.095
local terms energy: -101.829238
where:
bonds (distance) C4'-P energy: -21.683
bonds (distance) P-C4' energy: -22.665
flat angles C4'-P-C4' energy: -21.681
flat angles P-C4'-P energy: -17.105
tors. eta vs tors. theta energy: -18.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -214.283034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.283034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.283034 (E_RNA)
where:
Base-Base interactions energy: -132.634
where: short stacking energy: -69.526
Base-Backbone interact. energy: 0.876
local terms energy: -82.525635
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -19.481
flat angles C4'-P-C4' energy: -24.439
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -16.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -235.594891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.594891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.594891 (E_RNA)
where:
Base-Base interactions energy: -150.599
where: short stacking energy: -73.520
Base-Backbone interact. energy: -0.524
local terms energy: -84.472244
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -22.178
flat angles C4'-P-C4' energy: -19.338
flat angles P-C4'-P energy: -15.737
tors. eta vs tors. theta energy: -12.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -135.350641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.350641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.350641 (E_RNA)
where:
Base-Base interactions energy: -64.970
where: short stacking energy: -43.492
Base-Backbone interact. energy: 2.627
local terms energy: -73.007307
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -20.142
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -14.464
tors. eta vs tors. theta energy: -4.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -111.511600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.511600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.511600 (E_RNA)
where:
Base-Base interactions energy: -37.645
where: short stacking energy: -37.096
Base-Backbone interact. energy: -0.302
local terms energy: -73.564817
where:
bonds (distance) C4'-P energy: -20.672
bonds (distance) P-C4' energy: -20.234
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -2.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -111.101330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.101330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.101330 (E_RNA)
where:
Base-Base interactions energy: -45.583
where: short stacking energy: -42.629
Base-Backbone interact. energy: -0.291
local terms energy: -65.227323
where:
bonds (distance) C4'-P energy: -21.808
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -18.606
flat angles P-C4'-P energy: -8.261
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: 9
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -388.563954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.563954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.563954 (E_RNA)
where:
Base-Base interactions energy: -278.311
where: short stacking energy: -116.302
Base-Backbone interact. energy: -0.012
local terms energy: -110.241120
where:
bonds (distance) C4'-P energy: -19.542
bonds (distance) P-C4' energy: -22.316
flat angles C4'-P-C4' energy: -24.551
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -32.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -388.036689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.036689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.036689 (E_RNA)
where:
Base-Base interactions energy: -276.963
where: short stacking energy: -117.101
Base-Backbone interact. energy: -0.042
local terms energy: -111.031821
where:
bonds (distance) C4'-P energy: -22.077
bonds (distance) P-C4' energy: -18.288
flat angles C4'-P-C4' energy: -24.040
flat angles P-C4'-P energy: -15.109
tors. eta vs tors. theta energy: -31.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -327.574406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.574406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.574406 (E_RNA)
where:
Base-Base interactions energy: -223.483
where: short stacking energy: -90.223
Base-Backbone interact. energy: -0.053
local terms energy: -104.038472
where:
bonds (distance) C4'-P energy: -21.940
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -17.545
tors. eta vs tors. theta energy: -29.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -256.381810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.381810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.381810 (E_RNA)
where:
Base-Base interactions energy: -158.960
where: short stacking energy: -71.991
Base-Backbone interact. energy: -0.217
local terms energy: -97.204974
where:
bonds (distance) C4'-P energy: -22.010
bonds (distance) P-C4' energy: -18.817
flat angles C4'-P-C4' energy: -22.195
flat angles P-C4'-P energy: -16.127
tors. eta vs tors. theta energy: -18.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -277.173678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.173678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.173678 (E_RNA)
where:
Base-Base interactions energy: -189.245
where: short stacking energy: -88.066
Base-Backbone interact. energy: -0.328
local terms energy: -87.600272
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -20.317
flat angles P-C4'-P energy: -10.997
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: 6, replica: 1
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -244.409643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.409643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.409643 (E_RNA)
where:
Base-Base interactions energy: -171.109
where: short stacking energy: -67.784
Base-Backbone interact. energy: -0.243
local terms energy: -73.058101
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -22.362
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -10.173
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: 4
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -232.687204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.687204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.687204 (E_RNA)
where:
Base-Base interactions energy: -154.267
where: short stacking energy: -68.426
Base-Backbone interact. energy: 1.291
local terms energy: -79.711026
where:
bonds (distance) C4'-P energy: -19.625
bonds (distance) P-C4' energy: -19.673
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -5.077
tors. eta vs tors. theta energy: -19.059
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: 10
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -121.898031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.898031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.898031 (E_RNA)
where:
Base-Base interactions energy: -58.505
where: short stacking energy: -42.014
Base-Backbone interact. energy: -0.010
local terms energy: -63.382951
where:
bonds (distance) C4'-P energy: -18.771
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -2.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -103.690524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.690524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.690524 (E_RNA)
where:
Base-Base interactions energy: -36.083
where: short stacking energy: -26.556
Base-Backbone interact. energy: -1.631
local terms energy: -65.976399
where:
bonds (distance) C4'-P energy: -19.555
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -10.113
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -5.226
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: 10, replica: 7
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -122.629025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.629025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.629025 (E_RNA)
where:
Base-Base interactions energy: -57.179
where: short stacking energy: -45.387
Base-Backbone interact. energy: -0.319
local terms energy: -65.131211
where:
bonds (distance) C4'-P energy: -18.660
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -18.893
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -3.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -392.177100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.177100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.177100 (E_RNA)
where:
Base-Base interactions energy: -272.515
where: short stacking energy: -110.618
Base-Backbone interact. energy: -0.001
local terms energy: -119.661165
where:
bonds (distance) C4'-P energy: -22.410
bonds (distance) P-C4' energy: -24.859
flat angles C4'-P-C4' energy: -22.337
flat angles P-C4'-P energy: -16.987
tors. eta vs tors. theta energy: -33.067
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: 5
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -380.206398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.206398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.206398 (E_RNA)
where:
Base-Base interactions energy: -273.956
where: short stacking energy: -107.620
Base-Backbone interact. energy: -0.004
local terms energy: -106.245925
where:
bonds (distance) C4'-P energy: -18.926
bonds (distance) P-C4' energy: -15.984
flat angles C4'-P-C4' energy: -23.220
flat angles P-C4'-P energy: -14.682
tors. eta vs tors. theta energy: -33.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -337.044018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.044018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.044018 (E_RNA)
where:
Base-Base interactions energy: -229.516
where: short stacking energy: -98.708
Base-Backbone interact. energy: -0.013
local terms energy: -107.515222
where:
bonds (distance) C4'-P energy: -21.276
bonds (distance) P-C4' energy: -19.616
flat angles C4'-P-C4' energy: -18.965
flat angles P-C4'-P energy: -16.181
tors. eta vs tors. theta energy: -31.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -261.929959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.929959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.929959 (E_RNA)
where:
Base-Base interactions energy: -178.415
where: short stacking energy: -72.993
Base-Backbone interact. energy: -0.195
local terms energy: -83.319643
where:
bonds (distance) C4'-P energy: -18.718
bonds (distance) P-C4' energy: -19.511
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -18.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -265.691127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.691127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.691127 (E_RNA)
where:
Base-Base interactions energy: -168.153
where: short stacking energy: -69.810
Base-Backbone interact. energy: -0.213
local terms energy: -97.324964
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -18.743
flat angles C4'-P-C4' energy: -25.746
flat angles P-C4'-P energy: -14.893
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: 6, replica: 2
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -265.346790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.346790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.346790 (E_RNA)
where:
Base-Base interactions energy: -186.636
where: short stacking energy: -78.258
Base-Backbone interact. energy: -0.142
local terms energy: -78.568873
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -19.371
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -20.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -146.175075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.175075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.175075 (E_RNA)
where:
Base-Base interactions energy: -69.277
where: short stacking energy: -38.684
Base-Backbone interact. energy: 0.175
local terms energy: -77.072723
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -22.842
flat angles C4'-P-C4' energy: -18.135
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -6.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -222.640713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.640713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.640713 (E_RNA)
where:
Base-Base interactions energy: -151.271
where: short stacking energy: -61.698
Base-Backbone interact. energy: -0.399
local terms energy: -70.970803
where:
bonds (distance) C4'-P energy: -18.125
bonds (distance) P-C4' energy: -20.776
flat angles C4'-P-C4' energy: -10.206
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -11.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -118.715048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.715048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.715048 (E_RNA)
where:
Base-Base interactions energy: -56.728
where: short stacking energy: -38.898
Base-Backbone interact. energy: -0.441
local terms energy: -61.546934
where:
bonds (distance) C4'-P energy: -9.463
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -5.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -106.485358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.485358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.485358 (E_RNA)
where:
Base-Base interactions energy: -45.214
where: short stacking energy: -37.415
Base-Backbone interact. energy: -0.314
local terms energy: -60.958077
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -18.726
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -4.979
tors. eta vs tors. theta energy: -6.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -394.091487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.091487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.091487 (E_RNA)
where:
Base-Base interactions energy: -277.859
where: short stacking energy: -113.003
Base-Backbone interact. energy: -0.281
local terms energy: -115.951343
where:
bonds (distance) C4'-P energy: -21.533
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -23.020
flat angles P-C4'-P energy: -17.705
tors. eta vs tors. theta energy: -32.094
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: 5
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -394.008541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.008541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.008541 (E_RNA)
where:
Base-Base interactions energy: -280.001
where: short stacking energy: -115.148
Base-Backbone interact. energy: -0.350
local terms energy: -113.657749
where:
bonds (distance) C4'-P energy: -18.838
bonds (distance) P-C4' energy: -23.462
flat angles C4'-P-C4' energy: -20.506
flat angles P-C4'-P energy: -17.015
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: 3, replica: 3
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -332.201621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.201621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.201621 (E_RNA)
where:
Base-Base interactions energy: -216.107
where: short stacking energy: -95.101
Base-Backbone interact. energy: -0.129
local terms energy: -115.965176
where:
bonds (distance) C4'-P energy: -25.239
bonds (distance) P-C4' energy: -20.872
flat angles C4'-P-C4' energy: -22.711
flat angles P-C4'-P energy: -17.005
tors. eta vs tors. theta energy: -30.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -261.842799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.842799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.842799 (E_RNA)
where:
Base-Base interactions energy: -161.502
where: short stacking energy: -78.250
Base-Backbone interact. energy: -0.026
local terms energy: -100.314079
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -22.136
flat angles C4'-P-C4' energy: -25.124
flat angles P-C4'-P energy: -15.758
tors. eta vs tors. theta energy: -21.115
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: 5, replica: 1
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -286.356546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.356546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.356546 (E_RNA)
where:
Base-Base interactions energy: -184.059
where: short stacking energy: -88.601
Base-Backbone interact. energy: -0.460
local terms energy: -101.836559
where:
bonds (distance) C4'-P energy: -20.974
bonds (distance) P-C4' energy: -22.207
flat angles C4'-P-C4' energy: -24.081
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -23.377
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: 6, replica: 2
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -265.336887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.336887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.336887 (E_RNA)
where:
Base-Base interactions energy: -168.870
where: short stacking energy: -69.970
Base-Backbone interact. energy: -0.435
local terms energy: -96.032283
where:
bonds (distance) C4'-P energy: -23.118
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -21.103
flat angles P-C4'-P energy: -16.497
tors. eta vs tors. theta energy: -19.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -127.726621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.726621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.726621 (E_RNA)
where:
Base-Base interactions energy: -49.727
where: short stacking energy: -45.970
Base-Backbone interact. energy: -0.396
local terms energy: -77.604236
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -17.869
flat angles C4'-P-C4' energy: -21.041
flat angles P-C4'-P energy: -13.335
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: 8, replica: 4
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -211.763609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.763609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.763609 (E_RNA)
where:
Base-Base interactions energy: -143.991
where: short stacking energy: -52.270
Base-Backbone interact. energy: -0.003
local terms energy: -67.769631
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -3.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -108.554110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.554110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.554110 (E_RNA)
where:
Base-Base interactions energy: -38.066
where: short stacking energy: -33.510
Base-Backbone interact. energy: 1.257
local terms energy: -71.745800
where:
bonds (distance) C4'-P energy: -21.114
bonds (distance) P-C4' energy: -25.402
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -1.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -119.730802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.730802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.730802 (E_RNA)
where:
Base-Base interactions energy: -57.725
where: short stacking energy: -27.883
Base-Backbone interact. energy: -0.382
local terms energy: -61.623699
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -23.549
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -11.968
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: 1, replica: 5
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -393.608963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.608963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.608963 (E_RNA)
where:
Base-Base interactions energy: -276.567
where: short stacking energy: -112.181
Base-Backbone interact. energy: 0.110
local terms energy: -117.152773
where:
bonds (distance) C4'-P energy: -24.799
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -24.565
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -32.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -389.273421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.273421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.273421 (E_RNA)
where:
Base-Base interactions energy: -273.393
where: short stacking energy: -110.036
Base-Backbone interact. energy: -0.003
local terms energy: -115.877665
where:
bonds (distance) C4'-P energy: -18.623
bonds (distance) P-C4' energy: -22.008
flat angles C4'-P-C4' energy: -25.556
flat angles P-C4'-P energy: -16.374
tors. eta vs tors. theta energy: -33.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -342.208031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.208031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.208031 (E_RNA)
where:
Base-Base interactions energy: -250.008
where: short stacking energy: -103.803
Base-Backbone interact. energy: -0.356
local terms energy: -91.844206
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -16.496
tors. eta vs tors. theta energy: -24.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -263.192985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.192985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.192985 (E_RNA)
where:
Base-Base interactions energy: -165.582
where: short stacking energy: -91.258
Base-Backbone interact. energy: -0.065
local terms energy: -97.545841
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -21.542
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -16.351
tors. eta vs tors. theta energy: -26.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -283.733034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.733034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.733034 (E_RNA)
where:
Base-Base interactions energy: -187.577
where: short stacking energy: -92.079
Base-Backbone interact. energy: 0.353
local terms energy: -96.509198
where:
bonds (distance) C4'-P energy: -18.891
bonds (distance) P-C4' energy: -21.623
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -23.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -262.846797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.846797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.846797 (E_RNA)
where:
Base-Base interactions energy: -175.071
where: short stacking energy: -80.996
Base-Backbone interact. energy: -0.156
local terms energy: -87.619694
where:
bonds (distance) C4'-P energy: -21.245
bonds (distance) P-C4' energy: -19.782
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -20.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -234.108997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.108997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.108997 (E_RNA)
where:
Base-Base interactions energy: -152.317
where: short stacking energy: -62.985
Base-Backbone interact. energy: -0.375
local terms energy: -81.417289
where:
bonds (distance) C4'-P energy: -18.125
bonds (distance) P-C4' energy: -19.201
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -17.187
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: 8, replica: 10
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -110.242250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.242250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.242250 (E_RNA)
where:
Base-Base interactions energy: -45.586
where: short stacking energy: -37.238
Base-Backbone interact. energy: 0.796
local terms energy: -65.452159
where:
bonds (distance) C4'-P energy: -22.410
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -1.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -145.102976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.102976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.102976 (E_RNA)
where:
Base-Base interactions energy: -66.395
where: short stacking energy: -42.309
Base-Backbone interact. energy: 4.053
local terms energy: -82.761548
where:
bonds (distance) C4'-P energy: -19.492
bonds (distance) P-C4' energy: -21.930
flat angles C4'-P-C4' energy: -22.261
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -11.234
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: 7
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -104.027106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.027106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.027106 (E_RNA)
where:
Base-Base interactions energy: -34.843
where: short stacking energy: -24.460
Base-Backbone interact. energy: -0.237
local terms energy: -68.947660
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -21.041
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -7.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -391.033376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.033376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.033376 (E_RNA)
where:
Base-Base interactions energy: -268.594
where: short stacking energy: -107.138
Base-Backbone interact. energy: -0.131
local terms energy: -122.308338
where:
bonds (distance) C4'-P energy: -22.104
bonds (distance) P-C4' energy: -19.558
flat angles C4'-P-C4' energy: -24.640
flat angles P-C4'-P energy: -19.835
tors. eta vs tors. theta energy: -36.171
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: 9
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -387.955240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.955240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.955240 (E_RNA)
where:
Base-Base interactions energy: -268.626
where: short stacking energy: -107.456
Base-Backbone interact. energy: -0.109
local terms energy: -119.220533
where:
bonds (distance) C4'-P energy: -26.125
bonds (distance) P-C4' energy: -23.177
flat angles C4'-P-C4' energy: -22.829
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -34.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -330.139725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.139725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.139725 (E_RNA)
where:
Base-Base interactions energy: -216.588
where: short stacking energy: -92.807
Base-Backbone interact. energy: -1.369
local terms energy: -112.183417
where:
bonds (distance) C4'-P energy: -25.545
bonds (distance) P-C4' energy: -24.450
flat angles C4'-P-C4' energy: -23.591
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -26.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -303.787712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.787712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.787712 (E_RNA)
where:
Base-Base interactions energy: -196.074
where: short stacking energy: -93.029
Base-Backbone interact. energy: -0.092
local terms energy: -107.621026
where:
bonds (distance) C4'-P energy: -21.260
bonds (distance) P-C4' energy: -22.796
flat angles C4'-P-C4' energy: -22.230
flat angles P-C4'-P energy: -14.882
tors. eta vs tors. theta energy: -26.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -293.093611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.093611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.093611 (E_RNA)
where:
Base-Base interactions energy: -192.364
where: short stacking energy: -91.759
Base-Backbone interact. energy: -0.685
local terms energy: -100.044043
where:
bonds (distance) C4'-P energy: -17.815
bonds (distance) P-C4' energy: -22.750
flat angles C4'-P-C4' energy: -20.459
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -26.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -217.154129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.154129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.154129 (E_RNA)
where:
Base-Base interactions energy: -130.492
where: short stacking energy: -60.132
Base-Backbone interact. energy: -0.297
local terms energy: -86.365703
where:
bonds (distance) C4'-P energy: -19.314
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -14.478
tors. eta vs tors. theta energy: -17.694
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: 7, replica: 1
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -229.450562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.450562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.450562 (E_RNA)
where:
Base-Base interactions energy: -145.425
where: short stacking energy: -60.630
Base-Backbone interact. energy: 0.043
local terms energy: -84.068165
where:
bonds (distance) C4'-P energy: -20.196
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -19.251
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: 6
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -126.040190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.040190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.040190 (E_RNA)
where:
Base-Base interactions energy: -45.524
where: short stacking energy: -43.599
Base-Backbone interact. energy: -0.054
local terms energy: -80.462415
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -20.181
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -13.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -122.146401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.146401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.146401 (E_RNA)
where:
Base-Base interactions energy: -44.456
where: short stacking energy: -34.637
Base-Backbone interact. energy: -0.126
local terms energy: -77.564228
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -7.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -102.348080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.348080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.348080 (E_RNA)
where:
Base-Base interactions energy: -30.648
where: short stacking energy: -30.648
Base-Backbone interact. energy: -1.446
local terms energy: -70.254430
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -19.487
flat angles C4'-P-C4' energy: -21.638
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -1.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -386.397402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.397402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.397402 (E_RNA)
where:
Base-Base interactions energy: -270.176
where: short stacking energy: -109.492
Base-Backbone interact. energy: -0.139
local terms energy: -116.082301
where:
bonds (distance) C4'-P energy: -21.524
bonds (distance) P-C4' energy: -21.427
flat angles C4'-P-C4' energy: -24.767
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -33.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -390.552765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.552765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.552765 (E_RNA)
where:
Base-Base interactions energy: -275.787
where: short stacking energy: -110.731
Base-Backbone interact. energy: -0.043
local terms energy: -114.723179
where:
bonds (distance) C4'-P energy: -20.372
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -24.950
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -34.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -321.579634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.579634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.579634 (E_RNA)
where:
Base-Base interactions energy: -218.759
where: short stacking energy: -82.067
Base-Backbone interact. energy: 0.377
local terms energy: -103.197203
where:
bonds (distance) C4'-P energy: -23.450
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -22.765
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -23.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -306.037511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.037511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.037511 (E_RNA)
where:
Base-Base interactions energy: -209.844
where: short stacking energy: -81.870
Base-Backbone interact. energy: -0.196
local terms energy: -95.998408
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -23.627
flat angles C4'-P-C4' energy: -20.841
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -21.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -268.910700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.910700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.910700 (E_RNA)
where:
Base-Base interactions energy: -171.984
where: short stacking energy: -81.774
Base-Backbone interact. energy: -0.812
local terms energy: -96.114802
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -21.253
flat angles C4'-P-C4' energy: -18.537
flat angles P-C4'-P energy: -19.295
tors. eta vs tors. theta energy: -20.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -221.113525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.113525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.113525 (E_RNA)
where:
Base-Base interactions energy: -137.006
where: short stacking energy: -63.090
Base-Backbone interact. energy: -0.274
local terms energy: -83.833437
where:
bonds (distance) C4'-P energy: -18.201
bonds (distance) P-C4' energy: -19.189
flat angles C4'-P-C4' energy: -18.113
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -13.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -217.968096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.968096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.968096 (E_RNA)
where:
Base-Base interactions energy: -137.178
where: short stacking energy: -79.860
Base-Backbone interact. energy: -0.221
local terms energy: -80.569892
where:
bonds (distance) C4'-P energy: -20.196
bonds (distance) P-C4' energy: -16.496
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -14.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -124.716973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.716973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.716973 (E_RNA)
where:
Base-Base interactions energy: -46.588
where: short stacking energy: -42.669
Base-Backbone interact. energy: -0.192
local terms energy: -77.936806
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -22.719
flat angles C4'-P-C4' energy: -19.588
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -7.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -110.763397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.763397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.763397 (E_RNA)
where:
Base-Base interactions energy: -45.100
where: short stacking energy: -25.189
Base-Backbone interact. energy: -0.784
local terms energy: -64.878832
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -24.030
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: 2.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -99.224525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.224525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.224525 (E_RNA)
where:
Base-Base interactions energy: -32.167
where: short stacking energy: -29.251
Base-Backbone interact. energy: 1.236
local terms energy: -68.293246
where:
bonds (distance) C4'-P energy: -22.298
bonds (distance) P-C4' energy: -19.630
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: 1.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -388.298911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.298911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.298911 (E_RNA)
where:
Base-Base interactions energy: -272.469
where: short stacking energy: -115.012
Base-Backbone interact. energy: -0.005
local terms energy: -115.824807
where:
bonds (distance) C4'-P energy: -23.777
bonds (distance) P-C4' energy: -23.216
flat angles C4'-P-C4' energy: -21.949
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -34.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -383.976811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.976811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.976811 (E_RNA)
where:
Base-Base interactions energy: -274.776
where: short stacking energy: -112.943
Base-Backbone interact. energy: -0.038
local terms energy: -109.162627
where:
bonds (distance) C4'-P energy: -18.739
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -24.504
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -35.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -317.307196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.307196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.307196 (E_RNA)
where:
Base-Base interactions energy: -209.568
where: short stacking energy: -89.909
Base-Backbone interact. energy: -0.125
local terms energy: -107.614717
where:
bonds (distance) C4'-P energy: -24.597
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -22.504
flat angles P-C4'-P energy: -15.195
tors. eta vs tors. theta energy: -25.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -280.948717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.948717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.948717 (E_RNA)
where:
Base-Base interactions energy: -177.668
where: short stacking energy: -85.334
Base-Backbone interact. energy: 0.063
local terms energy: -103.343098
where:
bonds (distance) C4'-P energy: -22.030
bonds (distance) P-C4' energy: -22.927
flat angles C4'-P-C4' energy: -22.093
flat angles P-C4'-P energy: -15.431
tors. eta vs tors. theta energy: -20.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -274.862494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.862494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.862494 (E_RNA)
where:
Base-Base interactions energy: -182.445
where: short stacking energy: -81.315
Base-Backbone interact. energy: 0.249
local terms energy: -92.665924
where:
bonds (distance) C4'-P energy: -21.285
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -20.694
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -22.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -207.025412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.025412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.025412 (E_RNA)
where:
Base-Base interactions energy: -132.534
where: short stacking energy: -73.629
Base-Backbone interact. energy: -0.155
local terms energy: -74.336900
where:
bonds (distance) C4'-P energy: -17.075
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -13.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -206.918007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.918007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.918007 (E_RNA)
where:
Base-Base interactions energy: -123.757
where: short stacking energy: -61.198
Base-Backbone interact. energy: 1.588
local terms energy: -84.749141
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -20.272
flat angles C4'-P-C4' energy: -21.328
flat angles P-C4'-P energy: -15.134
tors. eta vs tors. theta energy: -9.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -122.937318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.937318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.937318 (E_RNA)
where:
Base-Base interactions energy: -43.937
where: short stacking energy: -39.190
Base-Backbone interact. energy: -0.582
local terms energy: -78.418480
where:
bonds (distance) C4'-P energy: -24.009
bonds (distance) P-C4' energy: -23.474
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -7.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -112.460750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.460750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.460750 (E_RNA)
where:
Base-Base interactions energy: -43.175
where: short stacking energy: -43.175
Base-Backbone interact. energy: -0.045
local terms energy: -69.240095
where:
bonds (distance) C4'-P energy: -20.440
bonds (distance) P-C4' energy: -24.593
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: 0.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -95.488248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.488248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.488248 (E_RNA)
where:
Base-Base interactions energy: -34.877
where: short stacking energy: -22.947
Base-Backbone interact. energy: -0.860
local terms energy: -59.751242
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -17.444
tors. eta vs tors. theta energy: 2.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -387.077555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.077555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.077555 (E_RNA)
where:
Base-Base interactions energy: -267.699
where: short stacking energy: -108.546
Base-Backbone interact. energy: -0.002
local terms energy: -119.377153
where:
bonds (distance) C4'-P energy: -21.869
bonds (distance) P-C4' energy: -23.571
flat angles C4'-P-C4' energy: -24.959
flat angles P-C4'-P energy: -16.478
tors. eta vs tors. theta energy: -32.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -384.487600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.487600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.487600 (E_RNA)
where:
Base-Base interactions energy: -272.470
where: short stacking energy: -114.368
Base-Backbone interact. energy: -0.315
local terms energy: -111.702777
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -22.466
flat angles C4'-P-C4' energy: -24.296
flat angles P-C4'-P energy: -13.851
tors. eta vs tors. theta energy: -35.832
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: 3, replica: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -318.151824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.151824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.151824 (E_RNA)
where:
Base-Base interactions energy: -208.812
where: short stacking energy: -96.514
Base-Backbone interact. energy: -2.809
local terms energy: -106.530697
where:
bonds (distance) C4'-P energy: -20.548
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -24.213
flat angles P-C4'-P energy: -16.575
tors. eta vs tors. theta energy: -25.643
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: 4, replica: 3
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -276.284467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.284467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.284467 (E_RNA)
where:
Base-Base interactions energy: -188.396
where: short stacking energy: -81.806
Base-Backbone interact. energy: -0.855
local terms energy: -87.033786
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -16.937
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -21.459
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: 5, replica: 8
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -265.683606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.683606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.683606 (E_RNA)
where:
Base-Base interactions energy: -182.189
where: short stacking energy: -86.445
Base-Backbone interact. energy: 0.081
local terms energy: -83.575505
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -18.811
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -20.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -219.455285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.455285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.455285 (E_RNA)
where:
Base-Base interactions energy: -128.884
where: short stacking energy: -63.665
Base-Backbone interact. energy: -0.057
local terms energy: -90.514480
where:
bonds (distance) C4'-P energy: -19.078
bonds (distance) P-C4' energy: -16.845
flat angles C4'-P-C4' energy: -22.279
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -20.138
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: 7, replica: 4
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -170.077501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.077501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.077501 (E_RNA)
where:
Base-Base interactions energy: -90.457
where: short stacking energy: -52.806
Base-Backbone interact. energy: -0.141
local terms energy: -79.479537
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -21.540
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -10.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -111.700151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.700151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.700151 (E_RNA)
where:
Base-Base interactions energy: -50.538
where: short stacking energy: -40.937
Base-Backbone interact. energy: -0.058
local terms energy: -61.103986
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -7.001
tors. eta vs tors. theta energy: -5.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -105.358513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.358513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.358513 (E_RNA)
where:
Base-Base interactions energy: -39.156
where: short stacking energy: -36.457
Base-Backbone interact. energy: -0.765
local terms energy: -65.437934
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -14.985
tors. eta vs tors. theta energy: 0.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -112.470046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.470046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.470046 (E_RNA)
where:
Base-Base interactions energy: -46.241
where: short stacking energy: -23.588
Base-Backbone interact. energy: -0.219
local terms energy: -66.010009
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -18.280
flat angles P-C4'-P energy: -10.414
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: 1, replica: 9
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -397.657055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.657055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.657055 (E_RNA)
where:
Base-Base interactions energy: -275.412
where: short stacking energy: -110.675
Base-Backbone interact. energy: -0.005
local terms energy: -122.239992
where:
bonds (distance) C4'-P energy: -21.187
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -26.107
flat angles P-C4'-P energy: -18.193
tors. eta vs tors. theta energy: -35.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -384.749391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.749391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.749391 (E_RNA)
where:
Base-Base interactions energy: -272.109
where: short stacking energy: -109.930
Base-Backbone interact. energy: -0.125
local terms energy: -112.514844
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -23.757
flat angles C4'-P-C4' energy: -19.893
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -36.572
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: 2
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -304.928337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.928337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.928337 (E_RNA)
where:
Base-Base interactions energy: -201.408
where: short stacking energy: -87.615
Base-Backbone interact. energy: -0.713
local terms energy: -102.807829
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -18.549
flat angles C4'-P-C4' energy: -25.264
flat angles P-C4'-P energy: -13.736
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: 4, replica: 3
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -292.849050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.849050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.849050 (E_RNA)
where:
Base-Base interactions energy: -180.370
where: short stacking energy: -88.346
Base-Backbone interact. energy: -0.343
local terms energy: -112.136183
where:
bonds (distance) C4'-P energy: -22.191
bonds (distance) P-C4' energy: -22.310
flat angles C4'-P-C4' energy: -22.473
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -31.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -258.437980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.437980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.437980 (E_RNA)
where:
Base-Base interactions energy: -160.387
where: short stacking energy: -88.270
Base-Backbone interact. energy: -0.205
local terms energy: -97.845476
where:
bonds (distance) C4'-P energy: -21.804
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -18.132
flat angles P-C4'-P energy: -17.017
tors. eta vs tors. theta energy: -18.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -213.655522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.655522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.655522 (E_RNA)
where:
Base-Base interactions energy: -129.434
where: short stacking energy: -58.397
Base-Backbone interact. energy: -2.225
local terms energy: -81.996234
where:
bonds (distance) C4'-P energy: -22.515
bonds (distance) P-C4' energy: -22.904
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -10.503
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: 4
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -151.274484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.274484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.274484 (E_RNA)
where:
Base-Base interactions energy: -87.792
where: short stacking energy: -50.634
Base-Backbone interact. energy: -0.637
local terms energy: -62.845529
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -21.178
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: 0.377
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: 77
Temperature: 1.250000
Total energy: -125.294937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.294937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.294937 (E_RNA)
where:
Base-Base interactions energy: -56.123
where: short stacking energy: -49.142
Base-Backbone interact. energy: -0.229
local terms energy: -68.942475
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -5.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -106.712320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.712320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.712320 (E_RNA)
where:
Base-Base interactions energy: -41.679
where: short stacking energy: -28.792
Base-Backbone interact. energy: -0.243
local terms energy: -64.789501
where:
bonds (distance) C4'-P energy: -19.054
bonds (distance) P-C4' energy: -20.848
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -0.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -104.691551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.691551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.691551 (E_RNA)
where:
Base-Base interactions energy: -36.797
where: short stacking energy: -36.011
Base-Backbone interact. energy: -0.321
local terms energy: -67.573325
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -20.595
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -12.637
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: 78
Temperature: 0.900000
Total energy: -393.506685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.506685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.506685 (E_RNA)
where:
Base-Base interactions energy: -276.629
where: short stacking energy: -113.474
Base-Backbone interact. energy: -0.588
local terms energy: -116.289679
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -21.803
flat angles C4'-P-C4' energy: -23.682
flat angles P-C4'-P energy: -20.842
tors. eta vs tors. theta energy: -33.509
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: 2, replica: 5
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -392.744147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.744147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.744147 (E_RNA)
where:
Base-Base interactions energy: -275.979
where: short stacking energy: -110.114
Base-Backbone interact. energy: -0.079
local terms energy: -116.686347
where:
bonds (distance) C4'-P energy: -22.668
bonds (distance) P-C4' energy: -24.259
flat angles C4'-P-C4' energy: -21.084
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -34.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -312.166666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.166666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.166666 (E_RNA)
where:
Base-Base interactions energy: -217.453
where: short stacking energy: -97.996
Base-Backbone interact. energy: -0.117
local terms energy: -94.596244
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -17.385
flat angles C4'-P-C4' energy: -18.715
flat angles P-C4'-P energy: -14.227
tors. eta vs tors. theta energy: -26.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -282.487458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.487458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.487458 (E_RNA)
where:
Base-Base interactions energy: -180.293
where: short stacking energy: -81.492
Base-Backbone interact. energy: -0.321
local terms energy: -101.873318
where:
bonds (distance) C4'-P energy: -21.935
bonds (distance) P-C4' energy: -18.701
flat angles C4'-P-C4' energy: -23.304
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -23.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -237.335388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.335388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.335388 (E_RNA)
where:
Base-Base interactions energy: -150.448
where: short stacking energy: -68.224
Base-Backbone interact. energy: -0.183
local terms energy: -86.704392
where:
bonds (distance) C4'-P energy: -19.575
bonds (distance) P-C4' energy: -19.114
flat angles C4'-P-C4' energy: -21.383
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -19.115
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: 1
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -202.095968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.095968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.095968 (E_RNA)
where:
Base-Base interactions energy: -116.632
where: short stacking energy: -45.644
Base-Backbone interact. energy: -0.470
local terms energy: -84.993889
where:
bonds (distance) C4'-P energy: -23.190
bonds (distance) P-C4' energy: -21.452
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -14.825
tors. eta vs tors. theta energy: -7.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -123.374342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.374342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.374342 (E_RNA)
where:
Base-Base interactions energy: -63.990
where: short stacking energy: -28.515
Base-Backbone interact. energy: 2.090
local terms energy: -61.474030
where:
bonds (distance) C4'-P energy: -20.230
bonds (distance) P-C4' energy: -20.800
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: 1.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -146.084029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.084029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.084029 (E_RNA)
where:
Base-Base interactions energy: -67.421
where: short stacking energy: -29.699
Base-Backbone interact. energy: -0.485
local terms energy: -78.178229
where:
bonds (distance) C4'-P energy: -23.971
bonds (distance) P-C4' energy: -23.302
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -0.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -108.400149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.400149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.400149 (E_RNA)
where:
Base-Base interactions energy: -48.394
where: short stacking energy: -33.114
Base-Backbone interact. energy: -0.068
local terms energy: -59.938179
where:
bonds (distance) C4'-P energy: -17.325
bonds (distance) P-C4' energy: -18.725
flat angles C4'-P-C4' energy: -10.374
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -5.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -112.104266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.104266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.104266 (E_RNA)
where:
Base-Base interactions energy: -44.819
where: short stacking energy: -37.158
Base-Backbone interact. energy: 1.798
local terms energy: -69.082947
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -9.758
flat angles P-C4'-P energy: -15.410
tors. eta vs tors. theta energy: -6.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -396.707021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.707021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.707021 (E_RNA)
where:
Base-Base interactions energy: -279.238
where: short stacking energy: -115.804
Base-Backbone interact. energy: -0.002
local terms energy: -117.467150
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -26.065
flat angles C4'-P-C4' energy: -22.765
flat angles P-C4'-P energy: -18.502
tors. eta vs tors. theta energy: -34.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -387.246030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.246030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.246030 (E_RNA)
where:
Base-Base interactions energy: -271.237
where: short stacking energy: -113.685
Base-Backbone interact. energy: -0.410
local terms energy: -115.599369
where:
bonds (distance) C4'-P energy: -20.813
bonds (distance) P-C4' energy: -22.867
flat angles C4'-P-C4' energy: -26.283
flat angles P-C4'-P energy: -14.083
tors. eta vs tors. theta energy: -31.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -315.476277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.476277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.476277 (E_RNA)
where:
Base-Base interactions energy: -212.207
where: short stacking energy: -95.984
Base-Backbone interact. energy: -0.120
local terms energy: -103.149719
where:
bonds (distance) C4'-P energy: -19.655
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -21.735
flat angles P-C4'-P energy: -15.745
tors. eta vs tors. theta energy: -28.169
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: 79
Temperature: 1.050000
Total energy: -281.153648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.153648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.153648 (E_RNA)
where:
Base-Base interactions energy: -183.655
where: short stacking energy: -101.567
Base-Backbone interact. energy: -0.147
local terms energy: -97.352099
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -21.813
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -31.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -279.637382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.637382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.637382 (E_RNA)
where:
Base-Base interactions energy: -173.555
where: short stacking energy: -77.609
Base-Backbone interact. energy: -0.279
local terms energy: -105.803591
where:
bonds (distance) C4'-P energy: -23.723
bonds (distance) P-C4' energy: -19.887
flat angles C4'-P-C4' energy: -23.146
flat angles P-C4'-P energy: -15.764
tors. eta vs tors. theta energy: -23.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -199.354573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.354573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.354573 (E_RNA)
where:
Base-Base interactions energy: -113.486
where: short stacking energy: -60.373
Base-Backbone interact. energy: -0.314
local terms energy: -85.554250
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -20.323
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -20.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -134.556022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.556022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.556022 (E_RNA)
where:
Base-Base interactions energy: -58.237
where: short stacking energy: -48.795
Base-Backbone interact. energy: -0.043
local terms energy: -76.276048
where:
bonds (distance) C4'-P energy: -23.264
bonds (distance) P-C4' energy: -22.433
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -4.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -116.849936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.849936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.849936 (E_RNA)
where:
Base-Base interactions energy: -50.427
where: short stacking energy: -50.427
Base-Backbone interact. energy: -0.721
local terms energy: -65.701267
where:
bonds (distance) C4'-P energy: -20.412
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -22.138
flat angles P-C4'-P energy: -3.030
tors. eta vs tors. theta energy: -3.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -107.094610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.094610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.094610 (E_RNA)
where:
Base-Base interactions energy: -35.353
where: short stacking energy: -35.085
Base-Backbone interact. energy: -0.182
local terms energy: -71.559755
where:
bonds (distance) C4'-P energy: -23.706
bonds (distance) P-C4' energy: -19.702
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -7.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -108.461679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.461679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.461679 (E_RNA)
where:
Base-Base interactions energy: -36.275
where: short stacking energy: -27.033
Base-Backbone interact. energy: -0.406
local terms energy: -71.781151
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -23.209
flat angles C4'-P-C4' energy: -18.662
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -3.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -386.960608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.960608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.960608 (E_RNA)
where:
Base-Base interactions energy: -276.604
where: short stacking energy: -109.862
Base-Backbone interact. energy: -0.103
local terms energy: -110.253577
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -22.608
flat angles C4'-P-C4' energy: -24.434
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -34.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -394.920333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.920333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.920333 (E_RNA)
where:
Base-Base interactions energy: -275.587
where: short stacking energy: -112.528
Base-Backbone interact. energy: -0.711
local terms energy: -118.621401
where:
bonds (distance) C4'-P energy: -21.403
bonds (distance) P-C4' energy: -23.585
flat angles C4'-P-C4' energy: -24.193
flat angles P-C4'-P energy: -14.565
tors. eta vs tors. theta energy: -34.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -324.557234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.557234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.557234 (E_RNA)
where:
Base-Base interactions energy: -216.284
where: short stacking energy: -98.083
Base-Backbone interact. energy: -0.116
local terms energy: -108.157265
where:
bonds (distance) C4'-P energy: -25.869
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -23.425
flat angles P-C4'-P energy: -16.416
tors. eta vs tors. theta energy: -24.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -283.404528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.404528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.404528 (E_RNA)
where:
Base-Base interactions energy: -196.620
where: short stacking energy: -88.239
Base-Backbone interact. energy: -0.329
local terms energy: -86.455323
where:
bonds (distance) C4'-P energy: -19.167
bonds (distance) P-C4' energy: -17.000
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -24.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -287.446183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.446183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.446183 (E_RNA)
where:
Base-Base interactions energy: -185.062
where: short stacking energy: -81.795
Base-Backbone interact. energy: 0.102
local terms energy: -102.486164
where:
bonds (distance) C4'-P energy: -22.446
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -21.775
flat angles P-C4'-P energy: -15.717
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: 6, replica: 1
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -212.754856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.754856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.754856 (E_RNA)
where:
Base-Base interactions energy: -141.717
where: short stacking energy: -66.135
Base-Backbone interact. energy: -0.534
local terms energy: -70.503556
where:
bonds (distance) C4'-P energy: -18.704
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -10.659
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -13.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -125.653480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.653480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.653480 (E_RNA)
where:
Base-Base interactions energy: -45.290
where: short stacking energy: -45.290
Base-Backbone interact. energy: -0.316
local terms energy: -80.047295
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -16.287
tors. eta vs tors. theta energy: -9.309
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: 10
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -124.024242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.024242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.024242 (E_RNA)
where:
Base-Base interactions energy: -52.710
where: short stacking energy: -37.665
Base-Backbone interact. energy: -0.154
local terms energy: -71.160715
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -22.659
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -1.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -97.968531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.968531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.968531 (E_RNA)
where:
Base-Base interactions energy: -32.321
where: short stacking energy: -9.590
Base-Backbone interact. energy: -0.333
local terms energy: -65.314507
where:
bonds (distance) C4'-P energy: -22.867
bonds (distance) P-C4' energy: -22.751
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: 5.953
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: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -105.304427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.304427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.304427 (E_RNA)
where:
Base-Base interactions energy: -43.343
where: short stacking energy: -34.379
Base-Backbone interact. energy: -0.504
local terms energy: -61.457978
where:
bonds (distance) C4'-P energy: -19.276
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -2.711
tors. eta vs tors. theta energy: -7.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -390.136345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.136345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.136345 (E_RNA)
where:
Base-Base interactions energy: -276.011
where: short stacking energy: -116.099
Base-Backbone interact. energy: -0.538
local terms energy: -113.586602
where:
bonds (distance) C4'-P energy: -22.726
bonds (distance) P-C4' energy: -20.072
flat angles C4'-P-C4' energy: -23.391
flat angles P-C4'-P energy: -14.583
tors. eta vs tors. theta energy: -32.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -388.874524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.874524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.874524 (E_RNA)
where:
Base-Base interactions energy: -264.945
where: short stacking energy: -109.710
Base-Backbone interact. energy: -0.070
local terms energy: -123.858855
where:
bonds (distance) C4'-P energy: -22.965
bonds (distance) P-C4' energy: -25.470
flat angles C4'-P-C4' energy: -25.405
flat angles P-C4'-P energy: -15.901
tors. eta vs tors. theta energy: -34.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -331.955465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.955465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.955465 (E_RNA)
where:
Base-Base interactions energy: -227.080
where: short stacking energy: -85.131
Base-Backbone interact. energy: -0.218
local terms energy: -104.658210
where:
bonds (distance) C4'-P energy: -22.581
bonds (distance) P-C4' energy: -22.459
flat angles C4'-P-C4' energy: -19.809
flat angles P-C4'-P energy: -17.648
tors. eta vs tors. theta energy: -22.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -290.324132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.324132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.324132 (E_RNA)
where:
Base-Base interactions energy: -197.879
where: short stacking energy: -85.408
Base-Backbone interact. energy: -0.180
local terms energy: -92.265227
where:
bonds (distance) C4'-P energy: -19.020
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -20.052
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -23.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -273.596975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.596975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.596975 (E_RNA)
where:
Base-Base interactions energy: -174.299
where: short stacking energy: -81.792
Base-Backbone interact. energy: -1.119
local terms energy: -98.178970
where:
bonds (distance) C4'-P energy: -22.617
bonds (distance) P-C4' energy: -20.066
flat angles C4'-P-C4' energy: -21.487
flat angles P-C4'-P energy: -14.157
tors. eta vs tors. theta energy: -19.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -177.191413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.191413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.191413 (E_RNA)
where:
Base-Base interactions energy: -92.520
where: short stacking energy: -54.550
Base-Backbone interact. energy: -0.117
local terms energy: -84.554012
where:
bonds (distance) C4'-P energy: -19.451
bonds (distance) P-C4' energy: -18.289
flat angles C4'-P-C4' energy: -18.788
flat angles P-C4'-P energy: -15.096
tors. eta vs tors. theta energy: -12.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -140.635693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.635693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.635693 (E_RNA)
where:
Base-Base interactions energy: -64.108
where: short stacking energy: -59.862
Base-Backbone interact. energy: 1.014
local terms energy: -77.541747
where:
bonds (distance) C4'-P energy: -20.101
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -19.980
flat angles P-C4'-P energy: -11.840
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: 8, replica: 7
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -113.277684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.277684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.277684 (E_RNA)
where:
Base-Base interactions energy: -53.912
where: short stacking energy: -43.951
Base-Backbone interact. energy: -0.093
local terms energy: -59.272752
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -2.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -103.959231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.959231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.959231 (E_RNA)
where:
Base-Base interactions energy: -32.398
where: short stacking energy: -24.878
Base-Backbone interact. energy: -0.122
local terms energy: -71.438631
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -23.053
flat angles C4'-P-C4' energy: -19.844
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -1.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -130.961783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.961783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.961783 (E_RNA)
where:
Base-Base interactions energy: -51.115
where: short stacking energy: -43.186
Base-Backbone interact. energy: -0.194
local terms energy: -79.652988
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -20.712
flat angles C4'-P-C4' energy: -21.706
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -6.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -399.596778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.596778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.596778 (E_RNA)
where:
Base-Base interactions energy: -278.852
where: short stacking energy: -122.229
Base-Backbone interact. energy: -0.575
local terms energy: -120.169614
where:
bonds (distance) C4'-P energy: -22.554
bonds (distance) P-C4' energy: -18.969
flat angles C4'-P-C4' energy: -24.699
flat angles P-C4'-P energy: -18.892
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: 2, replica: 9
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -385.324804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.324804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.324804 (E_RNA)
where:
Base-Base interactions energy: -272.173
where: short stacking energy: -111.078
Base-Backbone interact. energy: -0.102
local terms energy: -113.049684
where:
bonds (distance) C4'-P energy: -21.164
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -26.008
flat angles P-C4'-P energy: -15.140
tors. eta vs tors. theta energy: -35.283
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: 3
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -332.867401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.867401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.867401 (E_RNA)
where:
Base-Base interactions energy: -228.085
where: short stacking energy: -93.578
Base-Backbone interact. energy: 0.011
local terms energy: -104.793647
where:
bonds (distance) C4'-P energy: -22.945
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -20.770
flat angles P-C4'-P energy: -19.628
tors. eta vs tors. theta energy: -23.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -303.419720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.419720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.419720 (E_RNA)
where:
Base-Base interactions energy: -198.960
where: short stacking energy: -97.976
Base-Backbone interact. energy: -0.860
local terms energy: -103.599789
where:
bonds (distance) C4'-P energy: -19.764
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -19.452
flat angles P-C4'-P energy: -19.143
tors. eta vs tors. theta energy: -24.142
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: 8
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -262.425011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.425011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.425011 (E_RNA)
where:
Base-Base interactions energy: -167.880
where: short stacking energy: -86.263
Base-Backbone interact. energy: -0.659
local terms energy: -93.885365
where:
bonds (distance) C4'-P energy: -18.631
bonds (distance) P-C4' energy: -19.000
flat angles C4'-P-C4' energy: -19.434
flat angles P-C4'-P energy: -15.289
tors. eta vs tors. theta energy: -21.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -168.632582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.632582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.632582 (E_RNA)
where:
Base-Base interactions energy: -90.140
where: short stacking energy: -53.742
Base-Backbone interact. energy: -0.093
local terms energy: -78.399662
where:
bonds (distance) C4'-P energy: -22.348
bonds (distance) P-C4' energy: -20.795
flat angles C4'-P-C4' energy: -21.283
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -3.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -145.373370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.373370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.373370 (E_RNA)
where:
Base-Base interactions energy: -61.726
where: short stacking energy: -49.933
Base-Backbone interact. energy: -0.085
local terms energy: -83.562709
where:
bonds (distance) C4'-P energy: -22.022
bonds (distance) P-C4' energy: -25.473
flat angles C4'-P-C4' energy: -20.250
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -7.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -120.347730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.347730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.347730 (E_RNA)
where:
Base-Base interactions energy: -48.890
where: short stacking energy: -35.365
Base-Backbone interact. energy: -0.238
local terms energy: -71.219833
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -22.869
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -2.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -121.787112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.787112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.787112 (E_RNA)
where:
Base-Base interactions energy: -46.990
where: short stacking energy: -46.990
Base-Backbone interact. energy: -0.373
local terms energy: -74.424083
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -22.010
flat angles C4'-P-C4' energy: -21.015
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -5.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -105.266092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.266092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.266092 (E_RNA)
where:
Base-Base interactions energy: -36.675
where: short stacking energy: -36.875
Base-Backbone interact. energy: -1.085
local terms energy: -67.506117
where:
bonds (distance) C4'-P energy: -22.793
bonds (distance) P-C4' energy: -20.291
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -4.093
tors. eta vs tors. theta energy: -8.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -389.617130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.617130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.617130 (E_RNA)
where:
Base-Base interactions energy: -273.711
where: short stacking energy: -109.482
Base-Backbone interact. energy: -0.129
local terms energy: -115.777198
where:
bonds (distance) C4'-P energy: -22.092
bonds (distance) P-C4' energy: -23.499
flat angles C4'-P-C4' energy: -22.853
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -32.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -336.545636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.545636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.545636 (E_RNA)
where:
Base-Base interactions energy: -229.095
where: short stacking energy: -105.208
Base-Backbone interact. energy: -0.621
local terms energy: -106.829070
where:
bonds (distance) C4'-P energy: -20.077
bonds (distance) P-C4' energy: -20.628
flat angles C4'-P-C4' energy: -21.915
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: -30.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -383.932469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.932469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.932469 (E_RNA)
where:
Base-Base interactions energy: -265.112
where: short stacking energy: -106.467
Base-Backbone interact. energy: -0.002
local terms energy: -118.819265
where:
bonds (distance) C4'-P energy: -20.172
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -25.023
flat angles P-C4'-P energy: -18.396
tors. eta vs tors. theta energy: -32.405
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: 8
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -278.743551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.743551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.743551 (E_RNA)
where:
Base-Base interactions energy: -190.183
where: short stacking energy: -80.634
Base-Backbone interact. energy: -0.400
local terms energy: -88.160243
where:
bonds (distance) C4'-P energy: -20.296
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -15.496
tors. eta vs tors. theta energy: -16.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -303.027926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.027926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.027926 (E_RNA)
where:
Base-Base interactions energy: -201.003
where: short stacking energy: -100.837
Base-Backbone interact. energy: -0.125
local terms energy: -101.899127
where:
bonds (distance) C4'-P energy: -21.380
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -25.440
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -28.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -134.855383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.855383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.855383 (E_RNA)
where:
Base-Base interactions energy: -58.651
where: short stacking energy: -44.929
Base-Backbone interact. energy: -0.073
local terms energy: -76.130996
where:
bonds (distance) C4'-P energy: -21.839
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -21.983
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -7.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -171.331361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.331361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.331361 (E_RNA)
where:
Base-Base interactions energy: -105.954
where: short stacking energy: -61.959
Base-Backbone interact. energy: -0.752
local terms energy: -64.625376
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -19.440
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -5.047
tors. eta vs tors. theta energy: -13.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -128.884488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.884488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.884488 (E_RNA)
where:
Base-Base interactions energy: -60.318
where: short stacking energy: -52.247
Base-Backbone interact. energy: -0.335
local terms energy: -68.231063
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -21.157
flat angles C4'-P-C4' energy: -19.000
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -4.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -104.902118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.902118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.902118 (E_RNA)
where:
Base-Base interactions energy: -34.704
where: short stacking energy: -34.164
Base-Backbone interact. energy: -0.205
local terms energy: -69.992324
where:
bonds (distance) C4'-P energy: -17.202
bonds (distance) P-C4' energy: -18.559
flat angles C4'-P-C4' energy: -20.410
flat angles P-C4'-P energy: -14.008
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: 10
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -96.105698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.105698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.105698 (E_RNA)
where:
Base-Base interactions energy: -41.461
where: short stacking energy: -29.235
Base-Backbone interact. energy: -0.511
local terms energy: -54.132946
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: 4.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -340.845613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.845613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.845613 (E_RNA)
where:
Base-Base interactions energy: -226.056
where: short stacking energy: -102.268
Base-Backbone interact. energy: -0.988
local terms energy: -113.801992
where:
bonds (distance) C4'-P energy: -18.693
bonds (distance) P-C4' energy: -23.450
flat angles C4'-P-C4' energy: -24.472
flat angles P-C4'-P energy: -14.481
tors. eta vs tors. theta energy: -32.706
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: 5
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -387.602808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.602808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.602808 (E_RNA)
where:
Base-Base interactions energy: -278.472
where: short stacking energy: -107.398
Base-Backbone interact. energy: 0.526
local terms energy: -109.656472
where:
bonds (distance) C4'-P energy: -18.623
bonds (distance) P-C4' energy: -21.785
flat angles C4'-P-C4' energy: -19.993
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -33.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -387.659527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.659527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.659527 (E_RNA)
where:
Base-Base interactions energy: -274.524
where: short stacking energy: -105.766
Base-Backbone interact. energy: -0.075
local terms energy: -113.060698
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -22.437
flat angles C4'-P-C4' energy: -24.054
flat angles P-C4'-P energy: -16.621
tors. eta vs tors. theta energy: -35.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -286.850387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.850387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.850387 (E_RNA)
where:
Base-Base interactions energy: -181.832
where: short stacking energy: -82.919
Base-Backbone interact. energy: -1.026
local terms energy: -103.992455
where:
bonds (distance) C4'-P energy: -23.836
bonds (distance) P-C4' energy: -21.347
flat angles C4'-P-C4' energy: -22.177
flat angles P-C4'-P energy: -14.662
tors. eta vs tors. theta energy: -21.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -292.356494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.356494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.356494 (E_RNA)
where:
Base-Base interactions energy: -198.172
where: short stacking energy: -86.411
Base-Backbone interact. energy: 0.226
local terms energy: -94.410005
where:
bonds (distance) C4'-P energy: -19.957
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -25.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -144.020236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.020236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.020236 (E_RNA)
where:
Base-Base interactions energy: -54.354
where: short stacking energy: -45.174
Base-Backbone interact. energy: -0.138
local terms energy: -89.528308
where:
bonds (distance) C4'-P energy: -21.626
bonds (distance) P-C4' energy: -21.531
flat angles C4'-P-C4' energy: -19.257
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -15.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -179.702583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.702583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.702583 (E_RNA)
where:
Base-Base interactions energy: -99.095
where: short stacking energy: -50.935
Base-Backbone interact. energy: -0.428
local terms energy: -80.179707
where:
bonds (distance) C4'-P energy: -22.271
bonds (distance) P-C4' energy: -19.350
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -14.381
tors. eta vs tors. theta energy: -10.458
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: 6
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -129.412590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.412590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.412590 (E_RNA)
where:
Base-Base interactions energy: -45.989
where: short stacking energy: -34.149
Base-Backbone interact. energy: 0.285
local terms energy: -83.708751
where:
bonds (distance) C4'-P energy: -23.281
bonds (distance) P-C4' energy: -20.851
flat angles C4'-P-C4' energy: -21.495
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -5.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -135.869166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.869166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.869166 (E_RNA)
where:
Base-Base interactions energy: -57.114
where: short stacking energy: -53.679
Base-Backbone interact. energy: -0.673
local terms energy: -78.082309
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -11.314
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: 10
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -102.996065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.996065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.996065 (E_RNA)
where:
Base-Base interactions energy: -33.394
where: short stacking energy: -33.394
Base-Backbone interact. energy: 1.228
local terms energy: -70.829796
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -19.471
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -11.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -340.535119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.535119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.535119 (E_RNA)
where:
Base-Base interactions energy: -230.105
where: short stacking energy: -102.015
Base-Backbone interact. energy: -0.092
local terms energy: -110.338378
where:
bonds (distance) C4'-P energy: -21.194
bonds (distance) P-C4' energy: -25.397
flat angles C4'-P-C4' energy: -25.051
flat angles P-C4'-P energy: -10.947
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: 2, replica: 5
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -387.768190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.768190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.768190 (E_RNA)
where:
Base-Base interactions energy: -276.697
where: short stacking energy: -114.717
Base-Backbone interact. energy: -0.023
local terms energy: -111.048548
where:
bonds (distance) C4'-P energy: -20.220
bonds (distance) P-C4' energy: -17.261
flat angles C4'-P-C4' energy: -25.024
flat angles P-C4'-P energy: -13.588
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: 3, replica: 9
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -384.512258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.512258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.512258 (E_RNA)
where:
Base-Base interactions energy: -270.532
where: short stacking energy: -114.666
Base-Backbone interact. energy: -0.148
local terms energy: -113.831881
where:
bonds (distance) C4'-P energy: -23.170
bonds (distance) P-C4' energy: -24.850
flat angles C4'-P-C4' energy: -24.102
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -31.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -301.207201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.207201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.207201 (E_RNA)
where:
Base-Base interactions energy: -203.264
where: short stacking energy: -98.409
Base-Backbone interact. energy: 0.905
local terms energy: -98.847969
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -20.590
flat angles C4'-P-C4' energy: -20.055
flat angles P-C4'-P energy: -14.323
tors. eta vs tors. theta energy: -24.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -277.256319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.256319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.256319 (E_RNA)
where:
Base-Base interactions energy: -181.581
where: short stacking energy: -94.551
Base-Backbone interact. energy: -0.025
local terms energy: -95.650317
where:
bonds (distance) C4'-P energy: -17.981
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -20.420
flat angles P-C4'-P energy: -15.943
tors. eta vs tors. theta energy: -25.023
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: 7
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -159.423553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.423553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.423553 (E_RNA)
where:
Base-Base interactions energy: -80.811
where: short stacking energy: -50.615
Base-Backbone interact. energy: -1.084
local terms energy: -77.528212
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -19.968
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -9.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -131.504412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.504412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.504412 (E_RNA)
where:
Base-Base interactions energy: -49.293
where: short stacking energy: -45.696
Base-Backbone interact. energy: -0.202
local terms energy: -82.010285
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -22.245
flat angles P-C4'-P energy: -13.482
tors. eta vs tors. theta energy: -8.736
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: 8, replica: 4
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -129.825241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.825241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.825241 (E_RNA)
where:
Base-Base interactions energy: -47.844
where: short stacking energy: -47.865
Base-Backbone interact. energy: -0.175
local terms energy: -81.806040
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -22.566
flat angles C4'-P-C4' energy: -20.748
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -8.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -106.494968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.494968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.494968 (E_RNA)
where:
Base-Base interactions energy: -46.157
where: short stacking energy: -38.164
Base-Backbone interact. energy: -0.124
local terms energy: -60.214699
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -21.422
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -6.703
tors. eta vs tors. theta energy: -1.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -102.864077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.864077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.864077 (E_RNA)
where:
Base-Base interactions energy: -43.799
where: short stacking energy: -36.569
Base-Backbone interact. energy: -0.297
local terms energy: -58.768488
where:
bonds (distance) C4'-P energy: -16.319
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -9.590
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -4.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -393.250924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.250924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.250924 (E_RNA)
where:
Base-Base interactions energy: -271.486
where: short stacking energy: -108.690
Base-Backbone interact. energy: -0.005
local terms energy: -121.759939
where:
bonds (distance) C4'-P energy: -22.825
bonds (distance) P-C4' energy: -25.470
flat angles C4'-P-C4' energy: -26.254
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -32.683
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: 3
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -342.391099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.391099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.391099 (E_RNA)
where:
Base-Base interactions energy: -230.709
where: short stacking energy: -96.342
Base-Backbone interact. energy: -0.339
local terms energy: -111.342769
where:
bonds (distance) C4'-P energy: -21.593
bonds (distance) P-C4' energy: -23.490
flat angles C4'-P-C4' energy: -22.658
flat angles P-C4'-P energy: -16.407
tors. eta vs tors. theta energy: -27.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -384.212618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.212618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.212618 (E_RNA)
where:
Base-Base interactions energy: -281.255
where: short stacking energy: -114.389
Base-Backbone interact. energy: -0.006
local terms energy: -102.950710
where:
bonds (distance) C4'-P energy: -16.225
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -23.278
flat angles P-C4'-P energy: -13.994
tors. eta vs tors. theta energy: -32.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -297.613216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.613216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.613216 (E_RNA)
where:
Base-Base interactions energy: -197.962
where: short stacking energy: -82.934
Base-Backbone interact. energy: -0.528
local terms energy: -99.123504
where:
bonds (distance) C4'-P energy: -21.338
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -23.940
flat angles P-C4'-P energy: -13.841
tors. eta vs tors. theta energy: -17.821
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: 8
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -274.400045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.400045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.400045 (E_RNA)
where:
Base-Base interactions energy: -185.634
where: short stacking energy: -81.150
Base-Backbone interact. energy: 1.075
local terms energy: -89.840469
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -23.974
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -20.194
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: 7
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -144.370974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.370974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.370974 (E_RNA)
where:
Base-Base interactions energy: -65.082
where: short stacking energy: -59.256
Base-Backbone interact. energy: -0.233
local terms energy: -79.055492
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -20.727
flat angles C4'-P-C4' energy: -21.092
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -8.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -130.998073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.998073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.998073 (E_RNA)
where:
Base-Base interactions energy: -49.630
where: short stacking energy: -39.619
Base-Backbone interact. energy: -0.447
local terms energy: -80.921100
where:
bonds (distance) C4'-P energy: -21.942
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -13.502
tors. eta vs tors. theta energy: -8.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -120.628665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.628665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.628665 (E_RNA)
where:
Base-Base interactions energy: -50.493
where: short stacking energy: -42.939
Base-Backbone interact. energy: -0.651
local terms energy: -69.485481
where:
bonds (distance) C4'-P energy: -19.106
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -21.798
flat angles P-C4'-P energy: -15.504
tors. eta vs tors. theta energy: -0.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -111.912786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.912786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.912786 (E_RNA)
where:
Base-Base interactions energy: -48.917
where: short stacking energy: -43.817
Base-Backbone interact. energy: -0.320
local terms energy: -62.676074
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -7.748
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: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -94.216849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.216849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.216849 (E_RNA)
where:
Base-Base interactions energy: -35.553
where: short stacking energy: -28.630
Base-Backbone interact. energy: -0.119
local terms energy: -58.544073
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -19.385
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: 3.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -380.852230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.852230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.852230 (E_RNA)
where:
Base-Base interactions energy: -264.677
where: short stacking energy: -113.673
Base-Backbone interact. energy: -0.030
local terms energy: -116.144974
where:
bonds (distance) C4'-P energy: -22.596
bonds (distance) P-C4' energy: -24.173
flat angles C4'-P-C4' energy: -23.869
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -32.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -398.569239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.569239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.569239 (E_RNA)
where:
Base-Base interactions energy: -285.580
where: short stacking energy: -115.159
Base-Backbone interact. energy: 0.517
local terms energy: -113.505747
where:
bonds (distance) C4'-P energy: -23.389
bonds (distance) P-C4' energy: -18.184
flat angles C4'-P-C4' energy: -21.643
flat angles P-C4'-P energy: -16.386
tors. eta vs tors. theta energy: -33.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -329.217518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.217518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.217518 (E_RNA)
where:
Base-Base interactions energy: -225.958
where: short stacking energy: -97.112
Base-Backbone interact. energy: -0.627
local terms energy: -102.632404
where:
bonds (distance) C4'-P energy: -23.209
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -22.041
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -28.456
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: 4, replica: 2
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -300.639725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.639725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.639725 (E_RNA)
where:
Base-Base interactions energy: -197.912
where: short stacking energy: -77.439
Base-Backbone interact. energy: -0.084
local terms energy: -102.643774
where:
bonds (distance) C4'-P energy: -21.701
bonds (distance) P-C4' energy: -24.480
flat angles C4'-P-C4' energy: -23.366
flat angles P-C4'-P energy: -15.849
tors. eta vs tors. theta energy: -17.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -272.345437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.345437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.345437 (E_RNA)
where:
Base-Base interactions energy: -180.507
where: short stacking energy: -91.082
Base-Backbone interact. energy: -0.013
local terms energy: -91.825888
where:
bonds (distance) C4'-P energy: -23.172
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -20.353
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -21.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -130.781512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.781512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.781512 (E_RNA)
where:
Base-Base interactions energy: -50.665
where: short stacking energy: -45.891
Base-Backbone interact. energy: -0.200
local terms energy: -79.916531
where:
bonds (distance) C4'-P energy: -19.036
bonds (distance) P-C4' energy: -25.028
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -7.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -133.715689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.715689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.715689 (E_RNA)
where:
Base-Base interactions energy: -69.136
where: short stacking energy: -32.627
Base-Backbone interact. energy: -0.741
local terms energy: -63.839201
where:
bonds (distance) C4'-P energy: -21.594
bonds (distance) P-C4' energy: -20.008
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: 3.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -106.424827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.424827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.424827 (E_RNA)
where:
Base-Base interactions energy: -31.897
where: short stacking energy: -31.897
Base-Backbone interact. energy: -0.148
local terms energy: -74.379622
where:
bonds (distance) C4'-P energy: -22.932
bonds (distance) P-C4' energy: -21.609
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -111.710570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.710570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.710570 (E_RNA)
where:
Base-Base interactions energy: -39.916
where: short stacking energy: -39.916
Base-Backbone interact. energy: 2.070
local terms energy: -73.865169
where:
bonds (distance) C4'-P energy: -16.993
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -22.869
flat angles P-C4'-P energy: -12.579
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: 6
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -101.966416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.966416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.966416 (E_RNA)
where:
Base-Base interactions energy: -33.263
where: short stacking energy: -33.463
Base-Backbone interact. energy: -0.431
local terms energy: -68.272474
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -24.326
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -3.274
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: 9
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -392.230231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.230231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.230231 (E_RNA)
where:
Base-Base interactions energy: -273.643
where: short stacking energy: -109.701
Base-Backbone interact. energy: -0.007
local terms energy: -118.579480
where:
bonds (distance) C4'-P energy: -22.854
bonds (distance) P-C4' energy: -22.754
flat angles C4'-P-C4' energy: -22.977
flat angles P-C4'-P energy: -15.393
tors. eta vs tors. theta energy: -34.601
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: 5
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -384.917985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.917985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.917985 (E_RNA)
where:
Base-Base interactions energy: -271.222
where: short stacking energy: -103.155
Base-Backbone interact. energy: -0.750
local terms energy: -112.945941
where:
bonds (distance) C4'-P energy: -21.868
bonds (distance) P-C4' energy: -19.626
flat angles C4'-P-C4' energy: -23.636
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -34.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -303.752589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.752589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.752589 (E_RNA)
where:
Base-Base interactions energy: -211.916
where: short stacking energy: -83.330
Base-Backbone interact. energy: -0.209
local terms energy: -91.627073
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -20.928
flat angles C4'-P-C4' energy: -19.791
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -20.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -322.537467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.537467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.537467 (E_RNA)
where:
Base-Base interactions energy: -218.464
where: short stacking energy: -96.639
Base-Backbone interact. energy: -0.675
local terms energy: -103.397742
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -21.834
flat angles P-C4'-P energy: -15.658
tors. eta vs tors. theta energy: -29.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -275.049807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.049807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.049807 (E_RNA)
where:
Base-Base interactions energy: -182.427
where: short stacking energy: -81.115
Base-Backbone interact. energy: -1.264
local terms energy: -91.358801
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -19.842
flat angles C4'-P-C4' energy: -22.031
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -20.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -162.945986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.945986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.945986 (E_RNA)
where:
Base-Base interactions energy: -83.889
where: short stacking energy: -42.018
Base-Backbone interact. energy: -0.992
local terms energy: -78.064197
where:
bonds (distance) C4'-P energy: -20.471
bonds (distance) P-C4' energy: -24.194
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -11.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -169.065001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.065001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.065001 (E_RNA)
where:
Base-Base interactions energy: -90.953
where: short stacking energy: -51.412
Base-Backbone interact. energy: -0.260
local terms energy: -77.852768
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -18.997
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -12.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -120.658157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.658157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.658157 (E_RNA)
where:
Base-Base interactions energy: -47.157
where: short stacking energy: -42.921
Base-Backbone interact. energy: 1.995
local terms energy: -75.496756
where:
bonds (distance) C4'-P energy: -21.449
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -7.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -106.262037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.262037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.262037 (E_RNA)
where:
Base-Base interactions energy: -40.977
where: short stacking energy: -40.348
Base-Backbone interact. energy: -0.379
local terms energy: -64.905497
where:
bonds (distance) C4'-P energy: -18.333
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -2.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -107.621989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.621989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.621989 (E_RNA)
where:
Base-Base interactions energy: -41.465
where: short stacking energy: -37.680
Base-Backbone interact. energy: -0.177
local terms energy: -65.979804
where:
bonds (distance) C4'-P energy: -10.941
bonds (distance) P-C4' energy: -18.430
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -7.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -393.148323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.148323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.148323 (E_RNA)
where:
Base-Base interactions energy: -271.764
where: short stacking energy: -109.605
Base-Backbone interact. energy: -0.282
local terms energy: -121.102195
where:
bonds (distance) C4'-P energy: -23.747
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -23.858
flat angles P-C4'-P energy: -17.780
tors. eta vs tors. theta energy: -32.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -389.760012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.760012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.760012 (E_RNA)
where:
Base-Base interactions energy: -277.203
where: short stacking energy: -110.717
Base-Backbone interact. energy: -0.150
local terms energy: -112.407466
where:
bonds (distance) C4'-P energy: -21.584
bonds (distance) P-C4' energy: -22.526
flat angles C4'-P-C4' energy: -22.033
flat angles P-C4'-P energy: -15.275
tors. eta vs tors. theta energy: -30.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -300.294130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.294130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.294130 (E_RNA)
where:
Base-Base interactions energy: -208.028
where: short stacking energy: -86.722
Base-Backbone interact. energy: -1.385
local terms energy: -90.881695
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -19.702
flat angles C4'-P-C4' energy: -24.544
flat angles P-C4'-P energy: -13.757
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: 4, replica: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -324.011686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.011686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.011686 (E_RNA)
where:
Base-Base interactions energy: -220.566
where: short stacking energy: -104.127
Base-Backbone interact. energy: -0.361
local terms energy: -103.084960
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -18.567
flat angles C4'-P-C4' energy: -23.540
flat angles P-C4'-P energy: -18.824
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: 5, replica: 8
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -263.334917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.334917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.334917 (E_RNA)
where:
Base-Base interactions energy: -167.835
where: short stacking energy: -80.183
Base-Backbone interact. energy: -0.167
local terms energy: -95.332336
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -25.985
flat angles C4'-P-C4' energy: -21.933
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -22.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -187.146755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.146755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.146755 (E_RNA)
where:
Base-Base interactions energy: -99.472
where: short stacking energy: -60.059
Base-Backbone interact. energy: 0.492
local terms energy: -88.166510
where:
bonds (distance) C4'-P energy: -20.891
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -24.169
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -17.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -127.338621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.338621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.338621 (E_RNA)
where:
Base-Base interactions energy: -55.756
where: short stacking energy: -55.756
Base-Backbone interact. energy: -0.136
local terms energy: -71.447041
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -19.544
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -8.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -126.674453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.674453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.674453 (E_RNA)
where:
Base-Base interactions energy: -63.501
where: short stacking energy: -60.295
Base-Backbone interact. energy: -0.122
local terms energy: -63.051470
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -20.046
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -5.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -112.092184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.092184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.092184 (E_RNA)
where:
Base-Base interactions energy: -37.642
where: short stacking energy: -37.642
Base-Backbone interact. energy: -0.658
local terms energy: -73.792574
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -21.852
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -8.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -105.104473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.104473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.104473 (E_RNA)
where:
Base-Base interactions energy: -45.127
where: short stacking energy: -36.036
Base-Backbone interact. energy: -0.057
local terms energy: -59.920023
where:
bonds (distance) C4'-P energy: -22.004
bonds (distance) P-C4' energy: -20.236
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: 0.765
tors. eta vs tors. theta energy: -1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -393.889815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.889815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.889815 (E_RNA)
where:
Base-Base interactions energy: -279.462
where: short stacking energy: -113.760
Base-Backbone interact. energy: 1.423
local terms energy: -115.850606
where:
bonds (distance) C4'-P energy: -19.520
bonds (distance) P-C4' energy: -23.420
flat angles C4'-P-C4' energy: -20.640
flat angles P-C4'-P energy: -17.822
tors. eta vs tors. theta energy: -34.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -385.034524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.034524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.034524 (E_RNA)
where:
Base-Base interactions energy: -270.597
where: short stacking energy: -104.958
Base-Backbone interact. energy: -0.006
local terms energy: -114.432068
where:
bonds (distance) C4'-P energy: -21.083
bonds (distance) P-C4' energy: -22.409
flat angles C4'-P-C4' energy: -23.653
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -34.853
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: 3
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -330.180293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.180293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.180293 (E_RNA)
where:
Base-Base interactions energy: -217.191
where: short stacking energy: -103.186
Base-Backbone interact. energy: -0.492
local terms energy: -112.496846
where:
bonds (distance) C4'-P energy: -23.599
bonds (distance) P-C4' energy: -24.120
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -15.279
tors. eta vs tors. theta energy: -31.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -300.233517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.233517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.233517 (E_RNA)
where:
Base-Base interactions energy: -199.459
where: short stacking energy: -88.573
Base-Backbone interact. energy: -1.021
local terms energy: -99.753931
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -20.024
flat angles C4'-P-C4' energy: -23.578
flat angles P-C4'-P energy: -16.204
tors. eta vs tors. theta energy: -20.860
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: 8
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -241.091488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.091488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.091488 (E_RNA)
where:
Base-Base interactions energy: -143.702
where: short stacking energy: -70.758
Base-Backbone interact. energy: 1.616
local terms energy: -99.005753
where:
bonds (distance) C4'-P energy: -22.200
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -22.752
flat angles P-C4'-P energy: -18.687
tors. eta vs tors. theta energy: -18.046
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: 6, replica: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -174.162928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.162928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.162928 (E_RNA)
where:
Base-Base interactions energy: -92.913
where: short stacking energy: -63.063
Base-Backbone interact. energy: -0.203
local terms energy: -81.047313
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -14.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -135.088367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.088367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.088367 (E_RNA)
where:
Base-Base interactions energy: -57.327
where: short stacking energy: -32.683
Base-Backbone interact. energy: -0.146
local terms energy: -77.615437
where:
bonds (distance) C4'-P energy: -20.458
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -15.816
tors. eta vs tors. theta energy: -4.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -131.085449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.085449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.085449 (E_RNA)
where:
Base-Base interactions energy: -51.710
where: short stacking energy: -46.789
Base-Backbone interact. energy: -0.210
local terms energy: -79.164948
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -16.347
tors. eta vs tors. theta energy: -13.017
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: 9, replica: 1
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -111.237121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.237121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.237121 (E_RNA)
where:
Base-Base interactions energy: -44.829
where: short stacking energy: -24.109
Base-Backbone interact. energy: -0.420
local terms energy: -65.988220
where:
bonds (distance) C4'-P energy: -19.532
bonds (distance) P-C4' energy: -24.279
flat angles C4'-P-C4' energy: -19.579
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: 3.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -102.170748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.170748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.170748 (E_RNA)
where:
Base-Base interactions energy: -43.009
where: short stacking energy: -37.817
Base-Backbone interact. energy: -0.278
local terms energy: -58.883929
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -19.779
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: 5.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -395.935932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.935932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.935932 (E_RNA)
where:
Base-Base interactions energy: -282.161
where: short stacking energy: -110.276
Base-Backbone interact. energy: -0.004
local terms energy: -113.771077
where:
bonds (distance) C4'-P energy: -18.784
bonds (distance) P-C4' energy: -22.795
flat angles C4'-P-C4' energy: -22.968
flat angles P-C4'-P energy: -17.608
tors. eta vs tors. theta energy: -31.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -390.739516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.739516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.739516 (E_RNA)
where:
Base-Base interactions energy: -276.259
where: short stacking energy: -115.826
Base-Backbone interact. energy: -0.163
local terms energy: -114.316811
where:
bonds (distance) C4'-P energy: -24.188
bonds (distance) P-C4' energy: -19.741
flat angles C4'-P-C4' energy: -21.972
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -36.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -345.443715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.443715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.443715 (E_RNA)
where:
Base-Base interactions energy: -230.420
where: short stacking energy: -92.224
Base-Backbone interact. energy: -0.471
local terms energy: -114.553463
where:
bonds (distance) C4'-P energy: -22.296
bonds (distance) P-C4' energy: -25.117
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -15.428
tors. eta vs tors. theta energy: -29.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -290.657803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.657803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.657803 (E_RNA)
where:
Base-Base interactions energy: -191.505
where: short stacking energy: -89.423
Base-Backbone interact. energy: -0.037
local terms energy: -99.116198
where:
bonds (distance) C4'-P energy: -18.321
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -20.022
flat angles P-C4'-P energy: -18.986
tors. eta vs tors. theta energy: -23.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -270.415628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.415628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.415628 (E_RNA)
where:
Base-Base interactions energy: -171.337
where: short stacking energy: -80.498
Base-Backbone interact. energy: -0.005
local terms energy: -99.073197
where:
bonds (distance) C4'-P energy: -20.033
bonds (distance) P-C4' energy: -23.493
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -25.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -135.222984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.222984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.222984 (E_RNA)
where:
Base-Base interactions energy: -65.088
where: short stacking energy: -46.197
Base-Backbone interact. energy: -0.222
local terms energy: -69.912368
where:
bonds (distance) C4'-P energy: -17.807
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -21.484
flat angles P-C4'-P energy: -14.653
tors. eta vs tors. theta energy: -0.914
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: 7, replica: 7
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -155.173580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.173580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.173580 (E_RNA)
where:
Base-Base interactions energy: -78.678
where: short stacking energy: -49.287
Base-Backbone interact. energy: 0.054
local terms energy: -76.549563
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -20.184
flat angles C4'-P-C4' energy: -19.481
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -8.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -134.564447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.564447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.564447 (E_RNA)
where:
Base-Base interactions energy: -67.512
where: short stacking energy: -34.509
Base-Backbone interact. energy: -0.515
local terms energy: -66.537607
where:
bonds (distance) C4'-P energy: -22.291
bonds (distance) P-C4' energy: -20.851
flat angles C4'-P-C4' energy: -10.627
flat angles P-C4'-P energy: -9.865
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: 9, replica: 6
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -114.937120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.937120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.937120 (E_RNA)
where:
Base-Base interactions energy: -44.744
where: short stacking energy: -34.414
Base-Backbone interact. energy: 0.974
local terms energy: -71.167459
where:
bonds (distance) C4'-P energy: -21.277
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -20.023
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -5.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -104.066304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.066304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.066304 (E_RNA)
where:
Base-Base interactions energy: -33.534
where: short stacking energy: -33.534
Base-Backbone interact. energy: -0.193
local terms energy: -70.339326
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -19.350
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -1.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -392.646243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.646243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.646243 (E_RNA)
where:
Base-Base interactions energy: -278.551
where: short stacking energy: -116.739
Base-Backbone interact. energy: -0.014
local terms energy: -114.081311
where:
bonds (distance) C4'-P energy: -21.790
bonds (distance) P-C4' energy: -20.612
flat angles C4'-P-C4' energy: -22.083
flat angles P-C4'-P energy: -18.155
tors. eta vs tors. theta energy: -31.441
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: 5
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -394.906331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.906331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.906331 (E_RNA)
where:
Base-Base interactions energy: -283.931
where: short stacking energy: -111.880
Base-Backbone interact. energy: -0.088
local terms energy: -110.886666
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -22.789
flat angles C4'-P-C4' energy: -22.970
flat angles P-C4'-P energy: -14.919
tors. eta vs tors. theta energy: -32.989
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: 3
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -329.618153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.618153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.618153 (E_RNA)
where:
Base-Base interactions energy: -231.871
where: short stacking energy: -95.182
Base-Backbone interact. energy: -0.127
local terms energy: -97.620900
where:
bonds (distance) C4'-P energy: -17.360
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -24.750
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -30.565
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: 2
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -290.834574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.834574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.834574 (E_RNA)
where:
Base-Base interactions energy: -184.519
where: short stacking energy: -81.674
Base-Backbone interact. energy: -0.604
local terms energy: -105.710666
where:
bonds (distance) C4'-P energy: -24.204
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -21.501
flat angles P-C4'-P energy: -14.807
tors. eta vs tors. theta energy: -26.552
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: 92
Temperature: 1.100000
Total energy: -275.411507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.411507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.411507 (E_RNA)
where:
Base-Base interactions energy: -175.111
where: short stacking energy: -84.048
Base-Backbone interact. energy: 0.538
local terms energy: -100.838452
where:
bonds (distance) C4'-P energy: -19.214
bonds (distance) P-C4' energy: -22.127
flat angles C4'-P-C4' energy: -19.360
flat angles P-C4'-P energy: -14.858
tors. eta vs tors. theta energy: -25.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -140.751645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.751645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.751645 (E_RNA)
where:
Base-Base interactions energy: -65.669
where: short stacking energy: -46.463
Base-Backbone interact. energy: -0.321
local terms energy: -74.762017
where:
bonds (distance) C4'-P energy: -20.250
bonds (distance) P-C4' energy: -20.742
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -12.611
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: 7, replica: 1
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -129.044943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.044943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.044943 (E_RNA)
where:
Base-Base interactions energy: -57.930
where: short stacking energy: -34.151
Base-Backbone interact. energy: -0.153
local terms energy: -70.961174
where:
bonds (distance) C4'-P energy: -23.068
bonds (distance) P-C4' energy: -21.222
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -4.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -149.401602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.401602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.401602 (E_RNA)
where:
Base-Base interactions energy: -77.945
where: short stacking energy: -45.866
Base-Backbone interact. energy: -0.144
local terms energy: -71.312066
where:
bonds (distance) C4'-P energy: -19.961
bonds (distance) P-C4' energy: -18.592
flat angles C4'-P-C4' energy: -20.856
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -4.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -115.198554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.198554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.198554 (E_RNA)
where:
Base-Base interactions energy: -43.702
where: short stacking energy: -28.376
Base-Backbone interact. energy: -0.597
local terms energy: -70.899500
where:
bonds (distance) C4'-P energy: -22.174
bonds (distance) P-C4' energy: -17.645
flat angles C4'-P-C4' energy: -18.398
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -2.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -108.882944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.882944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.882944 (E_RNA)
where:
Base-Base interactions energy: -33.253
where: short stacking energy: -34.053
Base-Backbone interact. energy: 0.012
local terms energy: -75.641530
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -19.411
flat angles C4'-P-C4' energy: -22.894
flat angles P-C4'-P energy: -13.639
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: 9
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -399.124750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.124750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.124750 (E_RNA)
where:
Base-Base interactions energy: -287.830
where: short stacking energy: -119.411
Base-Backbone interact. energy: -0.005
local terms energy: -111.290074
where:
bonds (distance) C4'-P energy: -21.844
bonds (distance) P-C4' energy: -21.077
flat angles C4'-P-C4' energy: -20.498
flat angles P-C4'-P energy: -10.929
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: 2, replica: 5
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -382.448063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.448063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.448063 (E_RNA)
where:
Base-Base interactions energy: -273.060
where: short stacking energy: -108.387
Base-Backbone interact. energy: -0.147
local terms energy: -109.240507
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -23.583
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -33.075
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: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -336.043527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.043527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.043527 (E_RNA)
where:
Base-Base interactions energy: -219.703
where: short stacking energy: -92.870
Base-Backbone interact. energy: -0.003
local terms energy: -116.338259
where:
bonds (distance) C4'-P energy: -21.923
bonds (distance) P-C4' energy: -21.768
flat angles C4'-P-C4' energy: -22.952
flat angles P-C4'-P energy: -19.724
tors. eta vs tors. theta energy: -29.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -280.934806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.934806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.934806 (E_RNA)
where:
Base-Base interactions energy: -166.650
where: short stacking energy: -88.881
Base-Backbone interact. energy: -0.007
local terms energy: -114.278776
where:
bonds (distance) C4'-P energy: -23.532
bonds (distance) P-C4' energy: -24.068
flat angles C4'-P-C4' energy: -22.326
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: -29.866
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: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -292.661435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.661435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.661435 (E_RNA)
where:
Base-Base interactions energy: -198.177
where: short stacking energy: -85.872
Base-Backbone interact. energy: -0.652
local terms energy: -93.832213
where:
bonds (distance) C4'-P energy: -20.173
bonds (distance) P-C4' energy: -19.825
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -22.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -126.816346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.816346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.816346 (E_RNA)
where:
Base-Base interactions energy: -52.038
where: short stacking energy: -51.881
Base-Backbone interact. energy: -0.400
local terms energy: -74.378136
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -24.681
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -16.532
tors. eta vs tors. theta energy: -2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -155.273093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.273093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.273093 (E_RNA)
where:
Base-Base interactions energy: -80.209
where: short stacking energy: -48.896
Base-Backbone interact. energy: -0.142
local terms energy: -74.922397
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -22.396
flat angles C4'-P-C4' energy: -20.227
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -5.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -124.610276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.610276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.610276 (E_RNA)
where:
Base-Base interactions energy: -41.895
where: short stacking energy: -41.685
Base-Backbone interact. energy: 4.963
local terms energy: -87.677525
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -22.251
flat angles C4'-P-C4' energy: -22.889
flat angles P-C4'-P energy: -15.267
tors. eta vs tors. theta energy: -10.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -109.014861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.014861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.014861 (E_RNA)
where:
Base-Base interactions energy: -46.637
where: short stacking energy: -29.289
Base-Backbone interact. energy: -0.436
local terms energy: -61.942544
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -10.398
flat angles P-C4'-P energy: -17.609
tors. eta vs tors. theta energy: -3.122
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: 6
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -102.335838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.335838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.335838 (E_RNA)
where:
Base-Base interactions energy: -43.844
where: short stacking energy: -34.733
Base-Backbone interact. energy: 0.120
local terms energy: -58.612149
where:
bonds (distance) C4'-P energy: -18.886
bonds (distance) P-C4' energy: -19.332
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: 5.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -397.769559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.769559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.769559 (E_RNA)
where:
Base-Base interactions energy: -272.763
where: short stacking energy: -104.569
Base-Backbone interact. energy: -0.109
local terms energy: -124.897758
where:
bonds (distance) C4'-P energy: -26.294
bonds (distance) P-C4' energy: -26.178
flat angles C4'-P-C4' energy: -23.282
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -33.683
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: 9
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -386.589558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.589558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.589558 (E_RNA)
where:
Base-Base interactions energy: -274.575
where: short stacking energy: -109.267
Base-Backbone interact. energy: -0.204
local terms energy: -111.810569
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -24.032
flat angles C4'-P-C4' energy: -19.101
flat angles P-C4'-P energy: -16.731
tors. eta vs tors. theta energy: -32.930
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: 3, replica: 8
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -297.289947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.289947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.289947 (E_RNA)
where:
Base-Base interactions energy: -195.258
where: short stacking energy: -88.988
Base-Backbone interact. energy: -0.221
local terms energy: -101.810914
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -22.553
flat angles C4'-P-C4' energy: -25.723
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -24.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -323.471399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.471399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.471399 (E_RNA)
where:
Base-Base interactions energy: -223.953
where: short stacking energy: -99.648
Base-Backbone interact. energy: -0.074
local terms energy: -99.443954
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -22.445
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -28.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -169.155612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.155612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.155612 (E_RNA)
where:
Base-Base interactions energy: -81.968
where: short stacking energy: -60.734
Base-Backbone interact. energy: 0.390
local terms energy: -87.577621
where:
bonds (distance) C4'-P energy: -20.713
bonds (distance) P-C4' energy: -20.392
flat angles C4'-P-C4' energy: -20.746
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -13.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -293.724146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.724146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.724146 (E_RNA)
where:
Base-Base interactions energy: -196.746
where: short stacking energy: -87.160
Base-Backbone interact. energy: -0.178
local terms energy: -96.799833
where:
bonds (distance) C4'-P energy: -23.884
bonds (distance) P-C4' energy: -18.824
flat angles C4'-P-C4' energy: -20.387
flat angles P-C4'-P energy: -10.787
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: 7, replica: 7
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -191.802087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.802087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.802087 (E_RNA)
where:
Base-Base interactions energy: -112.854
where: short stacking energy: -71.501
Base-Backbone interact. energy: -0.268
local terms energy: -78.679600
where:
bonds (distance) C4'-P energy: -21.400
bonds (distance) P-C4' energy: -21.428
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -12.252
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: 4
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -113.565201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.565201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.565201 (E_RNA)
where:
Base-Base interactions energy: -51.983
where: short stacking energy: -39.290
Base-Backbone interact. energy: -0.346
local terms energy: -61.236310
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -0.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -106.513528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.513528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.513528 (E_RNA)
where:
Base-Base interactions energy: -41.145
where: short stacking energy: -35.088
Base-Backbone interact. energy: -0.214
local terms energy: -65.154055
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -20.545
flat angles C4'-P-C4' energy: -19.471
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: 0.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -108.294671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.294671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.294671 (E_RNA)
where:
Base-Base interactions energy: -38.794
where: short stacking energy: -38.373
Base-Backbone interact. energy: -0.118
local terms energy: -69.382467
where:
bonds (distance) C4'-P energy: -21.367
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -19.949
flat angles P-C4'-P energy: -14.079
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: 5
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -394.905705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.905705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.905705 (E_RNA)
where:
Base-Base interactions energy: -277.345
where: short stacking energy: -115.667
Base-Backbone interact. energy: -0.397
local terms energy: -117.164300
where:
bonds (distance) C4'-P energy: -20.713
bonds (distance) P-C4' energy: -21.237
flat angles C4'-P-C4' energy: -25.062
flat angles P-C4'-P energy: -16.761
tors. eta vs tors. theta energy: -33.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -388.825070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.825070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.825070 (E_RNA)
where:
Base-Base interactions energy: -274.016
where: short stacking energy: -110.885
Base-Backbone interact. energy: -0.001
local terms energy: -114.807350
where:
bonds (distance) C4'-P energy: -22.015
bonds (distance) P-C4' energy: -21.270
flat angles C4'-P-C4' energy: -23.115
flat angles P-C4'-P energy: -16.111
tors. eta vs tors. theta energy: -32.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -319.670543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.670543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.670543 (E_RNA)
where:
Base-Base interactions energy: -201.688
where: short stacking energy: -97.523
Base-Backbone interact. energy: -0.176
local terms energy: -117.806015
where:
bonds (distance) C4'-P energy: -24.001
bonds (distance) P-C4' energy: -25.413
flat angles C4'-P-C4' energy: -25.242
flat angles P-C4'-P energy: -14.895
tors. eta vs tors. theta energy: -28.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -327.939344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.939344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.939344 (E_RNA)
where:
Base-Base interactions energy: -224.748
where: short stacking energy: -96.642
Base-Backbone interact. energy: -0.039
local terms energy: -103.152250
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -23.709
flat angles C4'-P-C4' energy: -18.099
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -29.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -201.024814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.024814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.024814 (E_RNA)
where:
Base-Base interactions energy: -112.371
where: short stacking energy: -69.260
Base-Backbone interact. energy: 0.689
local terms energy: -89.342779
where:
bonds (distance) C4'-P energy: -18.829
bonds (distance) P-C4' energy: -19.799
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -17.387
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: 2
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -236.797507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.797507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.797507 (E_RNA)
where:
Base-Base interactions energy: -149.658
where: short stacking energy: -68.434
Base-Backbone interact. energy: -0.327
local terms energy: -86.812730
where:
bonds (distance) C4'-P energy: -19.100
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -20.000
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -20.302
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: 7
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -182.600019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.600019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.600019 (E_RNA)
where:
Base-Base interactions energy: -106.247
where: short stacking energy: -54.844
Base-Backbone interact. energy: -0.643
local terms energy: -75.710672
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -21.325
flat angles P-C4'-P energy: -7.627
tors. eta vs tors. theta energy: -13.892
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: 95
Temperature: 1.250000
Total energy: -132.807076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.807076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.807076 (E_RNA)
where:
Base-Base interactions energy: -74.633
where: short stacking energy: -43.289
Base-Backbone interact. energy: 0.064
local terms energy: -58.237497
where:
bonds (distance) C4'-P energy: -21.060
bonds (distance) P-C4' energy: -19.627
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: 2.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -101.361317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.361317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.361317 (E_RNA)
where:
Base-Base interactions energy: -38.573
where: short stacking energy: -37.412
Base-Backbone interact. energy: 0.025
local terms energy: -62.813042
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -21.589
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -0.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -102.624357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.624357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.624357 (E_RNA)
where:
Base-Base interactions energy: -33.733
where: short stacking energy: -21.452
Base-Backbone interact. energy: -0.168
local terms energy: -68.723259
where:
bonds (distance) C4'-P energy: -18.705
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -1.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -390.445300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.445300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.445300 (E_RNA)
where:
Base-Base interactions energy: -266.034
where: short stacking energy: -105.838
Base-Backbone interact. energy: -0.001
local terms energy: -124.410590
where:
bonds (distance) C4'-P energy: -24.709
bonds (distance) P-C4' energy: -23.304
flat angles C4'-P-C4' energy: -24.754
flat angles P-C4'-P energy: -16.044
tors. eta vs tors. theta energy: -35.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -385.975259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.975259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.975259 (E_RNA)
where:
Base-Base interactions energy: -269.796
where: short stacking energy: -105.988
Base-Backbone interact. energy: -0.002
local terms energy: -116.177692
where:
bonds (distance) C4'-P energy: -20.019
bonds (distance) P-C4' energy: -23.775
flat angles C4'-P-C4' energy: -22.372
flat angles P-C4'-P energy: -16.102
tors. eta vs tors. theta energy: -33.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -318.856275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.856275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.856275 (E_RNA)
where:
Base-Base interactions energy: -209.232
where: short stacking energy: -99.624
Base-Backbone interact. energy: -0.627
local terms energy: -108.997994
where:
bonds (distance) C4'-P energy: -17.459
bonds (distance) P-C4' energy: -21.672
flat angles C4'-P-C4' energy: -22.424
flat angles P-C4'-P energy: -18.035
tors. eta vs tors. theta energy: -29.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -280.381425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.381425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.381425 (E_RNA)
where:
Base-Base interactions energy: -173.286
where: short stacking energy: -93.033
Base-Backbone interact. energy: -0.177
local terms energy: -106.917953
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -19.547
flat angles C4'-P-C4' energy: -22.944
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -31.222
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: 5, replica: 2
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -255.864823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.864823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.864823 (E_RNA)
where:
Base-Base interactions energy: -167.655
where: short stacking energy: -83.527
Base-Backbone interact. energy: -0.566
local terms energy: -87.644078
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -19.030
flat angles C4'-P-C4' energy: -21.968
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -22.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -209.858114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.858114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.858114 (E_RNA)
where:
Base-Base interactions energy: -120.754
where: short stacking energy: -66.438
Base-Backbone interact. energy: -0.342
local terms energy: -88.761210
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -23.494
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -18.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -215.601961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.601961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.601961 (E_RNA)
where:
Base-Base interactions energy: -131.527
where: short stacking energy: -63.213
Base-Backbone interact. energy: -0.023
local terms energy: -84.051648
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -19.574
flat angles C4'-P-C4' energy: -18.619
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -17.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -133.772695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.772695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.772695 (E_RNA)
where:
Base-Base interactions energy: -61.431
where: short stacking energy: -35.851
Base-Backbone interact. energy: -1.143
local terms energy: -71.198573
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -22.531
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -4.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -113.918455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.918455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.918455 (E_RNA)
where:
Base-Base interactions energy: -48.430
where: short stacking energy: -36.257
Base-Backbone interact. energy: -0.280
local terms energy: -65.209043
where:
bonds (distance) C4'-P energy: -20.524
bonds (distance) P-C4' energy: -22.606
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -6.224
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: 10, replica: 6
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -115.317864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.317864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.317864 (E_RNA)
where:
Base-Base interactions energy: -45.909
where: short stacking energy: -42.615
Base-Backbone interact. energy: -0.865
local terms energy: -68.543668
where:
bonds (distance) C4'-P energy: -20.349
bonds (distance) P-C4' energy: -18.109
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -6.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -398.726879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.726879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.726879 (E_RNA)
where:
Base-Base interactions energy: -276.682
where: short stacking energy: -110.215
Base-Backbone interact. energy: 0.235
local terms energy: -122.279644
where:
bonds (distance) C4'-P energy: -23.413
bonds (distance) P-C4' energy: -23.782
flat angles C4'-P-C4' energy: -23.901
flat angles P-C4'-P energy: -16.630
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: 2, replica: 9
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -382.597990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.597990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.597990 (E_RNA)
where:
Base-Base interactions energy: -265.276
where: short stacking energy: -109.041
Base-Backbone interact. energy: -0.055
local terms energy: -117.267568
where:
bonds (distance) C4'-P energy: -19.463
bonds (distance) P-C4' energy: -24.673
flat angles C4'-P-C4' energy: -24.439
flat angles P-C4'-P energy: -12.974
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: 3, replica: 3
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -326.109398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.109398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.109398 (E_RNA)
where:
Base-Base interactions energy: -227.134
where: short stacking energy: -99.621
Base-Backbone interact. energy: 1.075
local terms energy: -100.050188
where:
bonds (distance) C4'-P energy: -18.128
bonds (distance) P-C4' energy: -19.381
flat angles C4'-P-C4' energy: -22.285
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -32.729
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: 4, replica: 2
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -276.328790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.328790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.328790 (E_RNA)
where:
Base-Base interactions energy: -175.017
where: short stacking energy: -93.495
Base-Backbone interact. energy: -0.817
local terms energy: -100.494771
where:
bonds (distance) C4'-P energy: -22.754
bonds (distance) P-C4' energy: -21.914
flat angles C4'-P-C4' energy: -24.334
flat angles P-C4'-P energy: -4.149
tors. eta vs tors. theta energy: -27.344
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: 8
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -273.503095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.503095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.503095 (E_RNA)
where:
Base-Base interactions energy: -177.069
where: short stacking energy: -92.299
Base-Backbone interact. energy: -0.188
local terms energy: -96.246848
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -20.282
flat angles C4'-P-C4' energy: -21.329
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: -22.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -200.294595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.294595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.294595 (E_RNA)
where:
Base-Base interactions energy: -117.278
where: short stacking energy: -51.894
Base-Backbone interact. energy: -1.975
local terms energy: -81.041190
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -21.401
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -12.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -176.880110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.880110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.880110 (E_RNA)
where:
Base-Base interactions energy: -113.148
where: short stacking energy: -54.568
Base-Backbone interact. energy: -0.166
local terms energy: -63.565804
where:
bonds (distance) C4'-P energy: -19.260
bonds (distance) P-C4' energy: -20.333
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -2.073
tors. eta vs tors. theta energy: -8.545
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: 97
Temperature: 1.250000
Total energy: -158.779171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.779171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.779171 (E_RNA)
where:
Base-Base interactions energy: -81.033
where: short stacking energy: -50.092
Base-Backbone interact. energy: 0.463
local terms energy: -78.208558
where:
bonds (distance) C4'-P energy: -18.389
bonds (distance) P-C4' energy: -19.266
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -10.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -104.772995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.772995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.772995 (E_RNA)
where:
Base-Base interactions energy: -41.856
where: short stacking energy: -39.321
Base-Backbone interact. energy: -0.130
local terms energy: -62.787351
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -9.697
flat angles P-C4'-P energy: -15.049
tors. eta vs tors. theta energy: -4.684
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: 10, replica: 6
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -114.695298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.695298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.695298 (E_RNA)
where:
Base-Base interactions energy: -46.211
where: short stacking energy: -46.211
Base-Backbone interact. energy: 0.670
local terms energy: -69.153855
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -19.130
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -10.021
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: 9
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -391.419522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.419522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.419522 (E_RNA)
where:
Base-Base interactions energy: -271.347
where: short stacking energy: -109.300
Base-Backbone interact. energy: -0.003
local terms energy: -120.069323
where:
bonds (distance) C4'-P energy: -22.747
bonds (distance) P-C4' energy: -23.468
flat angles C4'-P-C4' energy: -22.665
flat angles P-C4'-P energy: -16.418
tors. eta vs tors. theta energy: -34.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -380.160222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.160222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.160222 (E_RNA)
where:
Base-Base interactions energy: -265.286
where: short stacking energy: -106.098
Base-Backbone interact. energy: -0.039
local terms energy: -114.835081
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -22.564
flat angles C4'-P-C4' energy: -21.890
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -36.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -329.885244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.885244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.885244 (E_RNA)
where:
Base-Base interactions energy: -216.603
where: short stacking energy: -110.980
Base-Backbone interact. energy: -2.296
local terms energy: -110.986205
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -20.913
flat angles C4'-P-C4' energy: -26.722
flat angles P-C4'-P energy: -16.608
tors. eta vs tors. theta energy: -33.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -262.133311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.133311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.133311 (E_RNA)
where:
Base-Base interactions energy: -179.983
where: short stacking energy: -75.602
Base-Backbone interact. energy: -1.204
local terms energy: -80.945402
where:
bonds (distance) C4'-P energy: -11.625
bonds (distance) P-C4' energy: -19.895
flat angles C4'-P-C4' energy: -20.583
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -19.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -265.962120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.962120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.962120 (E_RNA)
where:
Base-Base interactions energy: -171.938
where: short stacking energy: -86.382
Base-Backbone interact. energy: -0.502
local terms energy: -93.521650
where:
bonds (distance) C4'-P energy: -17.467
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -17.981
flat angles P-C4'-P energy: -16.854
tors. eta vs tors. theta energy: -22.717
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: 1
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -172.910825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.910825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.910825 (E_RNA)
where:
Base-Base interactions energy: -103.459
where: short stacking energy: -39.743
Base-Backbone interact. energy: -0.731
local terms energy: -68.720466
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -21.241
flat angles C4'-P-C4' energy: -19.830
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -3.702
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: 7, replica: 7
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -190.755726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.755726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.755726 (E_RNA)
where:
Base-Base interactions energy: -120.631
where: short stacking energy: -55.765
Base-Backbone interact. energy: 0.595
local terms energy: -70.719670
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -10.886
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: 8, replica: 4
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -116.420471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.420471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.420471 (E_RNA)
where:
Base-Base interactions energy: -48.765
where: short stacking energy: -36.228
Base-Backbone interact. energy: -0.386
local terms energy: -67.269469
where:
bonds (distance) C4'-P energy: -19.952
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -24.202
flat angles P-C4'-P energy: -2.895
tors. eta vs tors. theta energy: -2.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -100.636338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.636338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.636338 (E_RNA)
where:
Base-Base interactions energy: -45.684
where: short stacking energy: -30.609
Base-Backbone interact. energy: -0.471
local terms energy: -54.480641
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -21.119
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: 4.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -95.509095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.509095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.509095 (E_RNA)
where:
Base-Base interactions energy: -29.827
where: short stacking energy: -28.454
Base-Backbone interact. energy: -0.511
local terms energy: -65.171507
where:
bonds (distance) C4'-P energy: -21.795
bonds (distance) P-C4' energy: -18.740
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: 0.468
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: 9
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -393.347388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.347388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.347388 (E_RNA)
where:
Base-Base interactions energy: -275.343
where: short stacking energy: -114.691
Base-Backbone interact. energy: -0.007
local terms energy: -117.997884
where:
bonds (distance) C4'-P energy: -22.180
bonds (distance) P-C4' energy: -22.175
flat angles C4'-P-C4' energy: -23.786
flat angles P-C4'-P energy: -16.023
tors. eta vs tors. theta energy: -33.834
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: 5
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -390.630447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.630447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.630447 (E_RNA)
where:
Base-Base interactions energy: -271.755
where: short stacking energy: -109.133
Base-Backbone interact. energy: -0.292
local terms energy: -118.583518
where:
bonds (distance) C4'-P energy: -19.430
bonds (distance) P-C4' energy: -24.004
flat angles C4'-P-C4' energy: -24.591
flat angles P-C4'-P energy: -16.594
tors. eta vs tors. theta energy: -33.964
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: 3
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -334.520668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.520668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.520668 (E_RNA)
where:
Base-Base interactions energy: -226.366
where: short stacking energy: -101.899
Base-Backbone interact. energy: 0.273
local terms energy: -108.428567
where:
bonds (distance) C4'-P energy: -21.687
bonds (distance) P-C4' energy: -21.127
flat angles C4'-P-C4' energy: -18.955
flat angles P-C4'-P energy: -17.281
tors. eta vs tors. theta energy: -29.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -272.815964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.815964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.815964 (E_RNA)
where:
Base-Base interactions energy: -179.959
where: short stacking energy: -92.767
Base-Backbone interact. energy: 1.241
local terms energy: -94.098479
where:
bonds (distance) C4'-P energy: -19.617
bonds (distance) P-C4' energy: -16.705
flat angles C4'-P-C4' energy: -20.796
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -22.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -262.347095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.347095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.347095 (E_RNA)
where:
Base-Base interactions energy: -172.925
where: short stacking energy: -72.201
Base-Backbone interact. energy: -0.039
local terms energy: -89.383581
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -20.960
flat angles C4'-P-C4' energy: -23.337
flat angles P-C4'-P energy: -16.781
tors. eta vs tors. theta energy: -14.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -185.027109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.027109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.027109 (E_RNA)
where:
Base-Base interactions energy: -106.852
where: short stacking energy: -44.591
Base-Backbone interact. energy: -0.382
local terms energy: -77.793015
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -22.316
flat angles C4'-P-C4' energy: -21.400
flat angles P-C4'-P energy: -13.955
tors. eta vs tors. theta energy: -8.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -212.916960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.916960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.916960 (E_RNA)
where:
Base-Base interactions energy: -128.837
where: short stacking energy: -65.524
Base-Backbone interact. energy: -0.199
local terms energy: -83.881644
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -21.678
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -13.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -133.067556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.067556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.067556 (E_RNA)
where:
Base-Base interactions energy: -50.199
where: short stacking energy: -40.101
Base-Backbone interact. energy: -1.713
local terms energy: -81.155493
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -25.712
flat angles C4'-P-C4' energy: -19.779
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -6.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -112.614603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.614603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.614603 (E_RNA)
where:
Base-Base interactions energy: -47.661
where: short stacking energy: -40.658
Base-Backbone interact. energy: 0.209
local terms energy: -65.163392
where:
bonds (distance) C4'-P energy: -18.280
bonds (distance) P-C4' energy: -19.944
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -2.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -110.630656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.630656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.630656 (E_RNA)
where:
Base-Base interactions energy: -48.803
where: short stacking energy: -17.979
Base-Backbone interact. energy: -0.247
local terms energy: -61.580347
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -20.529
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: 4.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -384.625442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.625442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.625442 (E_RNA)
where:
Base-Base interactions energy: -271.315
where: short stacking energy: -108.072
Base-Backbone interact. energy: -0.255
local terms energy: -113.055404
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -22.939
flat angles C4'-P-C4' energy: -23.451
flat angles P-C4'-P energy: -15.690
tors. eta vs tors. theta energy: -35.011
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: 2, replica: 9
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -380.984539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.984539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.984539 (E_RNA)
where:
Base-Base interactions energy: -263.580
where: short stacking energy: -109.646
Base-Backbone interact. energy: -0.575
local terms energy: -116.829053
where:
bonds (distance) C4'-P energy: -25.858
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -24.502
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -33.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -330.016731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.016731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.016731 (E_RNA)
where:
Base-Base interactions energy: -224.366
where: short stacking energy: -90.116
Base-Backbone interact. energy: -0.002
local terms energy: -105.649182
where:
bonds (distance) C4'-P energy: -21.562
bonds (distance) P-C4' energy: -16.870
flat angles C4'-P-C4' energy: -22.023
flat angles P-C4'-P energy: -16.488
tors. eta vs tors. theta energy: -28.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -285.835177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.835177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.835177 (E_RNA)
where:
Base-Base interactions energy: -194.460
where: short stacking energy: -78.775
Base-Backbone interact. energy: 0.356
local terms energy: -91.730770
where:
bonds (distance) C4'-P energy: -21.231
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -19.791
flat angles P-C4'-P energy: -16.982
tors. eta vs tors. theta energy: -20.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -261.131941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.131941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.131941 (E_RNA)
where:
Base-Base interactions energy: -178.566
where: short stacking energy: -70.261
Base-Backbone interact. energy: -0.480
local terms energy: -82.086321
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -20.760
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -14.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -191.367576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.367576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.367576 (E_RNA)
where:
Base-Base interactions energy: -107.724
where: short stacking energy: -55.915
Base-Backbone interact. energy: 0.150
local terms energy: -83.792822
where:
bonds (distance) C4'-P energy: -22.092
bonds (distance) P-C4' energy: -21.990
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -14.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -141.043557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.043557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.043557 (E_RNA)
where:
Base-Base interactions energy: -70.633
where: short stacking energy: -38.026
Base-Backbone interact. energy: -1.129
local terms energy: -69.281939
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -22.188
flat angles C4'-P-C4' energy: -19.035
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -2.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -125.410682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.410682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.410682 (E_RNA)
where:
Base-Base interactions energy: -59.858
where: short stacking energy: -28.373
Base-Backbone interact. energy: -0.247
local terms energy: -65.306369
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -14.143
flat angles C4'-P-C4' energy: -20.150
flat angles P-C4'-P energy: -12.719
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: 9, replica: 6
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -109.778877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.778877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.778877 (E_RNA)
where:
Base-Base interactions energy: -46.868
where: short stacking energy: -38.645
Base-Backbone interact. energy: 0.361
local terms energy: -63.271875
where:
bonds (distance) C4'-P energy: -21.516
bonds (distance) P-C4' energy: -21.011
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -2.413
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: 10
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -106.408967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.408967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.408967 (E_RNA)
where:
Base-Base interactions energy: -45.587
where: short stacking energy: -45.587
Base-Backbone interact. energy: -0.125
local terms energy: -60.697050
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -12.107
flat angles C4'-P-C4' energy: -18.683
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -4.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -392.777324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.777324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.777324 (E_RNA)
where:
Base-Base interactions energy: -276.238
where: short stacking energy: -111.906
Base-Backbone interact. energy: -0.167
local terms energy: -116.372492
where:
bonds (distance) C4'-P energy: -20.412
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -26.465
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -35.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -387.630575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.630575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.630575 (E_RNA)
where:
Base-Base interactions energy: -274.563
where: short stacking energy: -111.142
Base-Backbone interact. energy: -0.097
local terms energy: -112.971051
where:
bonds (distance) C4'-P energy: -19.662
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -24.711
flat angles P-C4'-P energy: -14.369
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: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -334.255817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.255817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.255817 (E_RNA)
where:
Base-Base interactions energy: -223.901
where: short stacking energy: -93.836
Base-Backbone interact. energy: -0.061
local terms energy: -110.294472
where:
bonds (distance) C4'-P energy: -23.782
bonds (distance) P-C4' energy: -20.295
flat angles C4'-P-C4' energy: -24.497
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -29.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -303.845539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.845539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.845539 (E_RNA)
where:
Base-Base interactions energy: -205.842
where: short stacking energy: -101.493
Base-Backbone interact. energy: 0.658
local terms energy: -98.661333
where:
bonds (distance) C4'-P energy: -21.267
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -15.773
tors. eta vs tors. theta energy: -26.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -264.320558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.320558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.320558 (E_RNA)
where:
Base-Base interactions energy: -165.959
where: short stacking energy: -81.487
Base-Backbone interact. energy: -0.371
local terms energy: -97.991036
where:
bonds (distance) C4'-P energy: -20.080
bonds (distance) P-C4' energy: -19.068
flat angles C4'-P-C4' energy: -20.394
flat angles P-C4'-P energy: -15.248
tors. eta vs tors. theta energy: -23.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -266.878575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.878575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.878575 (E_RNA)
where:
Base-Base interactions energy: -174.579
where: short stacking energy: -84.122
Base-Backbone interact. energy: -0.219
local terms energy: -92.080869
where:
bonds (distance) C4'-P energy: -17.592
bonds (distance) P-C4' energy: -19.192
flat angles C4'-P-C4' energy: -18.859
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -23.778
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: 7
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -159.239433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.239433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.239433 (E_RNA)
where:
Base-Base interactions energy: -93.460
where: short stacking energy: -54.053
Base-Backbone interact. energy: -0.059
local terms energy: -65.720190
where:
bonds (distance) C4'-P energy: -20.252
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -8.301
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: 6
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -118.386453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.386453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.386453 (E_RNA)
where:
Base-Base interactions energy: -43.634
where: short stacking energy: -41.302
Base-Backbone interact. energy: -0.708
local terms energy: -74.044511
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -8.245
flat angles C4'-P-C4' energy: -24.802
flat angles P-C4'-P energy: -17.734
tors. eta vs tors. theta energy: -8.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -123.866528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.866528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.866528 (E_RNA)
where:
Base-Base interactions energy: -62.950
where: short stacking energy: -34.879
Base-Backbone interact. energy: 0.687
local terms energy: -61.603828
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -17.712
flat angles C4'-P-C4' energy: -20.421
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -3.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -117.398298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.398298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.398298 (E_RNA)
where:
Base-Base interactions energy: -52.079
where: short stacking energy: -40.026
Base-Backbone interact. energy: -1.432
local terms energy: -63.886528
where:
bonds (distance) C4'-P energy: -18.220
bonds (distance) P-C4' energy: -21.411
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -0.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -398.161376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.161376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.161376 (E_RNA)
where:
Base-Base interactions energy: -281.121
where: short stacking energy: -113.083
Base-Backbone interact. energy: -0.003
local terms energy: -117.038111
where:
bonds (distance) C4'-P energy: -21.864
bonds (distance) P-C4' energy: -21.471
flat angles C4'-P-C4' energy: -23.275
flat angles P-C4'-P energy: -16.995
tors. eta vs tors. theta energy: -33.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -383.987943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.987943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.987943 (E_RNA)
where:
Base-Base interactions energy: -280.761
where: short stacking energy: -110.671
Base-Backbone interact. energy: -0.069
local terms energy: -103.158309
where:
bonds (distance) C4'-P energy: -18.138
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -21.054
flat angles P-C4'-P energy: -15.333
tors. eta vs tors. theta energy: -30.186
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: 3
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -331.891510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.891510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.891510 (E_RNA)
where:
Base-Base interactions energy: -225.918
where: short stacking energy: -91.614
Base-Backbone interact. energy: -0.003
local terms energy: -105.970271
where:
bonds (distance) C4'-P energy: -19.397
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -23.658
flat angles P-C4'-P energy: -15.006
tors. eta vs tors. theta energy: -29.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -296.329662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.329662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.329662 (E_RNA)
where:
Base-Base interactions energy: -198.065
where: short stacking energy: -94.989
Base-Backbone interact. energy: -0.115
local terms energy: -98.149694
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -20.614
flat angles C4'-P-C4' energy: -22.366
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -27.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -254.120527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.120527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.120527 (E_RNA)
where:
Base-Base interactions energy: -162.961
where: short stacking energy: -79.173
Base-Backbone interact. energy: -0.050
local terms energy: -91.109623
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -20.072
flat angles C4'-P-C4' energy: -22.054
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -20.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -260.484333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.484333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.484333 (E_RNA)
where:
Base-Base interactions energy: -166.967
where: short stacking energy: -81.901
Base-Backbone interact. energy: -0.692
local terms energy: -92.825060
where:
bonds (distance) C4'-P energy: -19.753
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -21.074
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -20.980
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: 6
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -135.351511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.351511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.351511 (E_RNA)
where:
Base-Base interactions energy: -63.598
where: short stacking energy: -38.604
Base-Backbone interact. energy: -0.187
local terms energy: -71.565948
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -20.100
flat angles C4'-P-C4' energy: -18.102
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -7.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -176.716204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.716204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.716204 (E_RNA)
where:
Base-Base interactions energy: -90.769
where: short stacking energy: -57.321
Base-Backbone interact. energy: 1.413
local terms energy: -87.360496
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -23.903
flat angles C4'-P-C4' energy: -19.866
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -14.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -111.186883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.186883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.186883 (E_RNA)
where:
Base-Base interactions energy: -46.550
where: short stacking energy: -40.754
Base-Backbone interact. energy: -0.275
local terms energy: -64.361525
where:
bonds (distance) C4'-P energy: -19.491
bonds (distance) P-C4' energy: -16.897
flat angles C4'-P-C4' energy: -18.961
flat angles P-C4'-P energy: -5.347
tors. eta vs tors. theta energy: -3.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -110.788334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.788334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.788334 (E_RNA)
where:
Base-Base interactions energy: -33.471
where: short stacking energy: -27.630
Base-Backbone interact. energy: -0.453
local terms energy: -76.865223
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -17.341
flat angles C4'-P-C4' energy: -22.495
flat angles P-C4'-P energy: -13.297
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: 1, replica: 9
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -389.073248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.073248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.073248 (E_RNA)
where:
Base-Base interactions energy: -273.396
where: short stacking energy: -106.078
Base-Backbone interact. energy: -0.224
local terms energy: -115.453244
where:
bonds (distance) C4'-P energy: -21.653
bonds (distance) P-C4' energy: -21.866
flat angles C4'-P-C4' energy: -24.333
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -34.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -391.431293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.431293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.431293 (E_RNA)
where:
Base-Base interactions energy: -278.582
where: short stacking energy: -113.692
Base-Backbone interact. energy: 0.313
local terms energy: -113.162581
where:
bonds (distance) C4'-P energy: -19.815
bonds (distance) P-C4' energy: -23.222
flat angles C4'-P-C4' energy: -20.064
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -34.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -332.542088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.542088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.542088 (E_RNA)
where:
Base-Base interactions energy: -228.061
where: short stacking energy: -96.705
Base-Backbone interact. energy: -0.104
local terms energy: -104.377320
where:
bonds (distance) C4'-P energy: -22.987
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -19.946
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -30.954
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: 4, replica: 8
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -283.386487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.386487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.386487 (E_RNA)
where:
Base-Base interactions energy: -190.886
where: short stacking energy: -86.493
Base-Backbone interact. energy: -0.121
local terms energy: -92.379053
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -21.910
flat angles C4'-P-C4' energy: -19.977
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -22.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -299.755640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.755640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.755640 (E_RNA)
where:
Base-Base interactions energy: -204.852
where: short stacking energy: -91.299
Base-Backbone interact. energy: -0.129
local terms energy: -94.775093
where:
bonds (distance) C4'-P energy: -18.930
bonds (distance) P-C4' energy: -22.021
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -24.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -265.886148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.886148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.886148 (E_RNA)
where:
Base-Base interactions energy: -169.524
where: short stacking energy: -100.177
Base-Backbone interact. energy: -0.246
local terms energy: -96.116944
where:
bonds (distance) C4'-P energy: -21.384
bonds (distance) P-C4' energy: -20.525
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -26.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -135.701189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.701189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.701189 (E_RNA)
where:
Base-Base interactions energy: -56.942
where: short stacking energy: -39.441
Base-Backbone interact. energy: 0.694
local terms energy: -79.452363
where:
bonds (distance) C4'-P energy: -20.555
bonds (distance) P-C4' energy: -19.584
flat angles C4'-P-C4' energy: -22.575
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -7.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -180.507088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.507088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.507088 (E_RNA)
where:
Base-Base interactions energy: -97.193
where: short stacking energy: -57.072
Base-Backbone interact. energy: -1.161
local terms energy: -82.153249
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -21.454
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -14.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -116.047059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.047059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.047059 (E_RNA)
where:
Base-Base interactions energy: -64.513
where: short stacking energy: -38.049
Base-Backbone interact. energy: -0.628
local terms energy: -50.906533
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -4.460
tors. eta vs tors. theta energy: 1.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -107.903698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.903698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.903698 (E_RNA)
where:
Base-Base interactions energy: -33.739
where: short stacking energy: -33.648
Base-Backbone interact. energy: -0.701
local terms energy: -73.463905
where:
bonds (distance) C4'-P energy: -18.546
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -21.056
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -393.739336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.739336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.739336 (E_RNA)
where:
Base-Base interactions energy: -279.944
where: short stacking energy: -110.942
Base-Backbone interact. energy: -0.470
local terms energy: -113.325580
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -23.838
flat angles C4'-P-C4' energy: -23.290
flat angles P-C4'-P energy: -16.990
tors. eta vs tors. theta energy: -33.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -392.129211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.129211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.129211 (E_RNA)
where:
Base-Base interactions energy: -277.566
where: short stacking energy: -111.558
Base-Backbone interact. energy: 0.505
local terms energy: -115.067630
where:
bonds (distance) C4'-P energy: -23.226
bonds (distance) P-C4' energy: -21.065
flat angles C4'-P-C4' energy: -21.917
flat angles P-C4'-P energy: -17.216
tors. eta vs tors. theta energy: -31.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -339.913548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.913548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.913548 (E_RNA)
where:
Base-Base interactions energy: -226.693
where: short stacking energy: -97.192
Base-Backbone interact. energy: -0.856
local terms energy: -112.364708
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -22.768
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -20.617
tors. eta vs tors. theta energy: -29.428
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: 8
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -296.057127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.057127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.057127 (E_RNA)
where:
Base-Base interactions energy: -201.766
where: short stacking energy: -76.383
Base-Backbone interact. energy: -0.279
local terms energy: -94.011721
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -24.648
flat angles C4'-P-C4' energy: -21.518
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: -19.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -272.417406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.417406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.417406 (E_RNA)
where:
Base-Base interactions energy: -180.941
where: short stacking energy: -72.430
Base-Backbone interact. energy: -0.127
local terms energy: -91.348956
where:
bonds (distance) C4'-P energy: -20.138
bonds (distance) P-C4' energy: -20.773
flat angles C4'-P-C4' energy: -18.949
flat angles P-C4'-P energy: -14.931
tors. eta vs tors. theta energy: -16.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -254.621359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.621359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.621359 (E_RNA)
where:
Base-Base interactions energy: -156.311
where: short stacking energy: -66.891
Base-Backbone interact. energy: -1.110
local terms energy: -97.200524
where:
bonds (distance) C4'-P energy: -24.415
bonds (distance) P-C4' energy: -24.233
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -15.292
tors. eta vs tors. theta energy: -17.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -170.364802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.364802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.364802 (E_RNA)
where:
Base-Base interactions energy: -89.060
where: short stacking energy: -47.394
Base-Backbone interact. energy: 0.381
local terms energy: -81.686368
where:
bonds (distance) C4'-P energy: -20.304
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -22.067
flat angles P-C4'-P energy: -17.929
tors. eta vs tors. theta energy: -4.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -120.965408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.965408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.965408 (E_RNA)
where:
Base-Base interactions energy: -42.756
where: short stacking energy: -36.220
Base-Backbone interact. energy: -0.925
local terms energy: -77.284298
where:
bonds (distance) C4'-P energy: -18.996
bonds (distance) P-C4' energy: -23.150
flat angles C4'-P-C4' energy: -18.764
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -3.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -120.587709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.587709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.587709 (E_RNA)
where:
Base-Base interactions energy: -59.444
where: short stacking energy: -37.950
Base-Backbone interact. energy: 0.802
local terms energy: -61.945775
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -21.152
flat angles C4'-P-C4' energy: -18.941
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: 1.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -101.349698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.349698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.349698 (E_RNA)
where:
Base-Base interactions energy: -40.641
where: short stacking energy: -27.125
Base-Backbone interact. energy: 0.086
local terms energy: -60.794824
where:
bonds (distance) C4'-P energy: -19.579
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -4.651
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: 1, replica: 5
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -391.705444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.705444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.705444 (E_RNA)
where:
Base-Base interactions energy: -275.065
where: short stacking energy: -114.139
Base-Backbone interact. energy: -0.004
local terms energy: -116.637366
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -22.903
flat angles C4'-P-C4' energy: -25.869
flat angles P-C4'-P energy: -16.142
tors. eta vs tors. theta energy: -34.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -387.827760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.827760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.827760 (E_RNA)
where:
Base-Base interactions energy: -272.517
where: short stacking energy: -105.482
Base-Backbone interact. energy: -0.004
local terms energy: -115.306281
where:
bonds (distance) C4'-P energy: -21.894
bonds (distance) P-C4' energy: -24.219
flat angles C4'-P-C4' energy: -22.821
flat angles P-C4'-P energy: -15.720
tors. eta vs tors. theta energy: -30.652
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: 3
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -338.107550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.107550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.107550 (E_RNA)
where:
Base-Base interactions energy: -233.459
where: short stacking energy: -98.144
Base-Backbone interact. energy: -0.179
local terms energy: -104.468883
where:
bonds (distance) C4'-P energy: -18.160
bonds (distance) P-C4' energy: -25.054
flat angles C4'-P-C4' energy: -20.824
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -28.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -289.407679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.407679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.407679 (E_RNA)
where:
Base-Base interactions energy: -186.032
where: short stacking energy: -94.186
Base-Backbone interact. energy: -0.141
local terms energy: -103.235461
where:
bonds (distance) C4'-P energy: -18.677
bonds (distance) P-C4' energy: -23.347
flat angles C4'-P-C4' energy: -20.306
flat angles P-C4'-P energy: -15.464
tors. eta vs tors. theta energy: -25.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -289.720262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.720262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.720262 (E_RNA)
where:
Base-Base interactions energy: -196.032
where: short stacking energy: -84.517
Base-Backbone interact. energy: -0.329
local terms energy: -93.359424
where:
bonds (distance) C4'-P energy: -20.325
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -22.025
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -21.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -245.486415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.486415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.486415 (E_RNA)
where:
Base-Base interactions energy: -155.285
where: short stacking energy: -72.133
Base-Backbone interact. energy: -1.178
local terms energy: -89.023401
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -18.803
flat angles C4'-P-C4' energy: -19.086
flat angles P-C4'-P energy: -15.726
tors. eta vs tors. theta energy: -19.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -146.969162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.969162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.969162 (E_RNA)
where:
Base-Base interactions energy: -68.842
where: short stacking energy: -41.604
Base-Backbone interact. energy: -0.049
local terms energy: -78.078966
where:
bonds (distance) C4'-P energy: -20.315
bonds (distance) P-C4' energy: -19.903
flat angles C4'-P-C4' energy: -19.360
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -6.986
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: 105
Temperature: 1.250000
Total energy: -142.120490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.120490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.120490 (E_RNA)
where:
Base-Base interactions energy: -61.924
where: short stacking energy: -41.219
Base-Backbone interact. energy: 1.363
local terms energy: -81.559240
where:
bonds (distance) C4'-P energy: -18.620
bonds (distance) P-C4' energy: -20.665
flat angles C4'-P-C4' energy: -21.621
flat angles P-C4'-P energy: -15.351
tors. eta vs tors. theta energy: -5.302
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: 6
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -109.959162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.959162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.959162 (E_RNA)
where:
Base-Base interactions energy: -42.481
where: short stacking energy: -42.297
Base-Backbone interact. energy: -0.124
local terms energy: -67.354501
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -21.562
flat angles C4'-P-C4' energy: -18.589
flat angles P-C4'-P energy: -6.672
tors. eta vs tors. theta energy: -5.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -103.543178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.543178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.543178 (E_RNA)
where:
Base-Base interactions energy: -37.691
where: short stacking energy: -37.691
Base-Backbone interact. energy: -0.333
local terms energy: -65.519216
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -3.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -388.412505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.412505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.412505 (E_RNA)
where:
Base-Base interactions energy: -266.168
where: short stacking energy: -108.554
Base-Backbone interact. energy: -0.573
local terms energy: -121.671311
where:
bonds (distance) C4'-P energy: -22.937
bonds (distance) P-C4' energy: -22.942
flat angles C4'-P-C4' energy: -24.497
flat angles P-C4'-P energy: -15.824
tors. eta vs tors. theta energy: -35.470
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: 9
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -391.336719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.336719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.336719 (E_RNA)
where:
Base-Base interactions energy: -280.084
where: short stacking energy: -116.025
Base-Backbone interact. energy: 0.257
local terms energy: -111.510353
where:
bonds (distance) C4'-P energy: -22.274
bonds (distance) P-C4' energy: -20.838
flat angles C4'-P-C4' energy: -21.231
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -34.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -301.709277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.709277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.709277 (E_RNA)
where:
Base-Base interactions energy: -212.288
where: short stacking energy: -83.565
Base-Backbone interact. energy: -0.408
local terms energy: -89.013219
where:
bonds (distance) C4'-P energy: -19.267
bonds (distance) P-C4' energy: -24.356
flat angles C4'-P-C4' energy: -20.860
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -14.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -333.859151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.859151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.859151 (E_RNA)
where:
Base-Base interactions energy: -223.058
where: short stacking energy: -94.766
Base-Backbone interact. energy: -0.123
local terms energy: -110.677369
where:
bonds (distance) C4'-P energy: -21.699
bonds (distance) P-C4' energy: -19.831
flat angles C4'-P-C4' energy: -22.293
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -32.999
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: 5, replica: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -292.617122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.617122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.617122 (E_RNA)
where:
Base-Base interactions energy: -199.636
where: short stacking energy: -91.965
Base-Backbone interact. energy: 0.938
local terms energy: -93.919769
where:
bonds (distance) C4'-P energy: -20.097
bonds (distance) P-C4' energy: -19.894
flat angles C4'-P-C4' energy: -22.029
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -22.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -241.694382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.694382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.694382 (E_RNA)
where:
Base-Base interactions energy: -151.385
where: short stacking energy: -77.488
Base-Backbone interact. energy: -0.098
local terms energy: -90.211629
where:
bonds (distance) C4'-P energy: -19.431
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -20.000
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -19.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -132.664040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.664040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.664040 (E_RNA)
where:
Base-Base interactions energy: -53.802
where: short stacking energy: -41.059
Base-Backbone interact. energy: -0.453
local terms energy: -78.408863
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -22.281
flat angles C4'-P-C4' energy: -18.067
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -6.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -114.668265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.668265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.668265 (E_RNA)
where:
Base-Base interactions energy: -36.995
where: short stacking energy: -36.964
Base-Backbone interact. energy: -0.126
local terms energy: -77.547069
where:
bonds (distance) C4'-P energy: -21.723
bonds (distance) P-C4' energy: -22.956
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -2.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -124.455699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.455699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.455699 (E_RNA)
where:
Base-Base interactions energy: -49.046
where: short stacking energy: -45.665
Base-Backbone interact. energy: -0.040
local terms energy: -75.370587
where:
bonds (distance) C4'-P energy: -21.825
bonds (distance) P-C4' energy: -21.181
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -10.334
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: 10, replica: 6
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -99.291797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.291797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.291797 (E_RNA)
where:
Base-Base interactions energy: -47.644
where: short stacking energy: -32.702
Base-Backbone interact. energy: -0.670
local terms energy: -50.977959
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -1.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -389.066207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.066207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.066207 (E_RNA)
where:
Base-Base interactions energy: -278.202
where: short stacking energy: -111.753
Base-Backbone interact. energy: -0.002
local terms energy: -110.862417
where:
bonds (distance) C4'-P energy: -25.988
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -25.146
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -33.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -385.250899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.250899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.250899 (E_RNA)
where:
Base-Base interactions energy: -272.648
where: short stacking energy: -109.691
Base-Backbone interact. energy: -0.009
local terms energy: -112.593161
where:
bonds (distance) C4'-P energy: -17.527
bonds (distance) P-C4' energy: -21.209
flat angles C4'-P-C4' energy: -25.336
flat angles P-C4'-P energy: -16.217
tors. eta vs tors. theta energy: -32.304
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: 3, replica: 8
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -312.568717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.568717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.568717 (E_RNA)
where:
Base-Base interactions energy: -212.034
where: short stacking energy: -95.353
Base-Backbone interact. energy: -0.005
local terms energy: -100.529253
where:
bonds (distance) C4'-P energy: -19.486
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -22.008
flat angles P-C4'-P energy: -13.940
tors. eta vs tors. theta energy: -26.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -330.685173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.685173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.685173 (E_RNA)
where:
Base-Base interactions energy: -221.897
where: short stacking energy: -99.308
Base-Backbone interact. energy: -1.145
local terms energy: -107.643130
where:
bonds (distance) C4'-P energy: -18.619
bonds (distance) P-C4' energy: -16.127
flat angles C4'-P-C4' energy: -24.565
flat angles P-C4'-P energy: -15.995
tors. eta vs tors. theta energy: -32.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -272.716148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.716148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.716148 (E_RNA)
where:
Base-Base interactions energy: -179.834
where: short stacking energy: -86.370
Base-Backbone interact. energy: -0.751
local terms energy: -92.131287
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -22.216
flat angles P-C4'-P energy: -15.106
tors. eta vs tors. theta energy: -23.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -254.851488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.851488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.851488 (E_RNA)
where:
Base-Base interactions energy: -158.684
where: short stacking energy: -72.212
Base-Backbone interact. energy: -0.725
local terms energy: -95.441704
where:
bonds (distance) C4'-P energy: -23.645
bonds (distance) P-C4' energy: -20.053
flat angles C4'-P-C4' energy: -25.291
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -15.271
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: 4
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -158.640831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.640831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.640831 (E_RNA)
where:
Base-Base interactions energy: -78.502
where: short stacking energy: -50.894
Base-Backbone interact. energy: -0.379
local terms energy: -79.759460
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -20.044
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -17.749
tors. eta vs tors. theta energy: -9.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -120.454067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.454067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.454067 (E_RNA)
where:
Base-Base interactions energy: -56.605
where: short stacking energy: -38.524
Base-Backbone interact. energy: -1.010
local terms energy: -62.838629
where:
bonds (distance) C4'-P energy: -18.088
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -22.697
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: 0.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -103.900083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.900083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.900083 (E_RNA)
where:
Base-Base interactions energy: -33.902
where: short stacking energy: -32.770
Base-Backbone interact. energy: -0.420
local terms energy: -69.578242
where:
bonds (distance) C4'-P energy: -22.142
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -3.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -108.289966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.289966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.289966 (E_RNA)
where:
Base-Base interactions energy: -43.033
where: short stacking energy: -38.158
Base-Backbone interact. energy: 0.099
local terms energy: -65.355571
where:
bonds (distance) C4'-P energy: -19.007
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -3.707
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: 108
Temperature: 0.900000
Total energy: -394.386163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.386163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.386163 (E_RNA)
where:
Base-Base interactions energy: -268.816
where: short stacking energy: -106.419
Base-Backbone interact. energy: 0.868
local terms energy: -126.438101
where:
bonds (distance) C4'-P energy: -23.294
bonds (distance) P-C4' energy: -26.082
flat angles C4'-P-C4' energy: -22.289
flat angles P-C4'-P energy: -17.780
tors. eta vs tors. theta energy: -36.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -383.013155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.013155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.013155 (E_RNA)
where:
Base-Base interactions energy: -272.467
where: short stacking energy: -118.423
Base-Backbone interact. energy: -0.003
local terms energy: -110.542679
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -24.087
flat angles P-C4'-P energy: -16.319
tors. eta vs tors. theta energy: -31.418
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: 3, replica: 3
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -327.924632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.924632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.924632 (E_RNA)
where:
Base-Base interactions energy: -230.367
where: short stacking energy: -102.521
Base-Backbone interact. energy: -1.539
local terms energy: -96.018756
where:
bonds (distance) C4'-P energy: -17.360
bonds (distance) P-C4' energy: -20.128
flat angles C4'-P-C4' energy: -20.389
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -29.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -313.185068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.185068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.185068 (E_RNA)
where:
Base-Base interactions energy: -209.206
where: short stacking energy: -92.298
Base-Backbone interact. energy: -1.540
local terms energy: -102.439533
where:
bonds (distance) C4'-P energy: -22.659
bonds (distance) P-C4' energy: -22.510
flat angles C4'-P-C4' energy: -19.493
flat angles P-C4'-P energy: -13.762
tors. eta vs tors. theta energy: -24.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -280.588843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.588843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.588843 (E_RNA)
where:
Base-Base interactions energy: -183.469
where: short stacking energy: -77.316
Base-Backbone interact. energy: -0.912
local terms energy: -96.208163
where:
bonds (distance) C4'-P energy: -18.925
bonds (distance) P-C4' energy: -18.764
flat angles C4'-P-C4' energy: -21.357
flat angles P-C4'-P energy: -15.136
tors. eta vs tors. theta energy: -22.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -236.864624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.864624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.864624 (E_RNA)
where:
Base-Base interactions energy: -146.017
where: short stacking energy: -70.053
Base-Backbone interact. energy: -0.145
local terms energy: -90.702444
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -19.434
flat angles C4'-P-C4' energy: -21.614
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -22.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -119.649862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.649862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.649862 (E_RNA)
where:
Base-Base interactions energy: -46.241
where: short stacking energy: -46.241
Base-Backbone interact. energy: -0.045
local terms energy: -73.363870
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -20.109
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -9.037
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: 4
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -196.750594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.750594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.750594 (E_RNA)
where:
Base-Base interactions energy: -115.445
where: short stacking energy: -61.015
Base-Backbone interact. energy: -0.569
local terms energy: -80.735747
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -14.604
tors. eta vs tors. theta energy: -16.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -115.353928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.353928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.353928 (E_RNA)
where:
Base-Base interactions energy: -50.689
where: short stacking energy: -44.193
Base-Backbone interact. energy: -0.258
local terms energy: -64.406635
where:
bonds (distance) C4'-P energy: -19.398
bonds (distance) P-C4' energy: -20.056
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -3.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -102.651187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.651187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.651187 (E_RNA)
where:
Base-Base interactions energy: -42.806
where: short stacking energy: -39.876
Base-Backbone interact. energy: -0.353
local terms energy: -59.491256
where:
bonds (distance) C4'-P energy: -20.179
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -1.769
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: 9
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -398.358244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.358244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.358244 (E_RNA)
where:
Base-Base interactions energy: -279.245
where: short stacking energy: -111.603
Base-Backbone interact. energy: -0.147
local terms energy: -118.966453
where:
bonds (distance) C4'-P energy: -20.995
bonds (distance) P-C4' energy: -24.959
flat angles C4'-P-C4' energy: -25.285
flat angles P-C4'-P energy: -12.937
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: 2, replica: 5
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -387.190286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.190286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.190286 (E_RNA)
where:
Base-Base interactions energy: -267.773
where: short stacking energy: -109.535
Base-Backbone interact. energy: -0.002
local terms energy: -119.414405
where:
bonds (distance) C4'-P energy: -24.278
bonds (distance) P-C4' energy: -25.259
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -17.122
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: 3, replica: 3
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -335.973358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.973358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.973358 (E_RNA)
where:
Base-Base interactions energy: -229.812
where: short stacking energy: -104.360
Base-Backbone interact. energy: -1.497
local terms energy: -104.664426
where:
bonds (distance) C4'-P energy: -18.391
bonds (distance) P-C4' energy: -15.590
flat angles C4'-P-C4' energy: -24.593
flat angles P-C4'-P energy: -15.579
tors. eta vs tors. theta energy: -30.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -312.937598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.937598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.937598 (E_RNA)
where:
Base-Base interactions energy: -201.081
where: short stacking energy: -94.690
Base-Backbone interact. energy: -0.494
local terms energy: -111.362070
where:
bonds (distance) C4'-P energy: -22.349
bonds (distance) P-C4' energy: -22.372
flat angles C4'-P-C4' energy: -22.724
flat angles P-C4'-P energy: -17.878
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: 5, replica: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -267.372838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.372838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.372838 (E_RNA)
where:
Base-Base interactions energy: -172.628
where: short stacking energy: -81.587
Base-Backbone interact. energy: -0.138
local terms energy: -94.607059
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -24.107
flat angles C4'-P-C4' energy: -24.962
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -21.046
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: 6, replica: 1
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -245.863470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.863470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.863470 (E_RNA)
where:
Base-Base interactions energy: -155.705
where: short stacking energy: -81.612
Base-Backbone interact. energy: -0.037
local terms energy: -90.121610
where:
bonds (distance) C4'-P energy: -19.232
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -20.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -125.876403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.876403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.876403 (E_RNA)
where:
Base-Base interactions energy: -59.013
where: short stacking energy: -43.795
Base-Backbone interact. energy: -0.372
local terms energy: -66.491073
where:
bonds (distance) C4'-P energy: -21.972
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -10.522
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: 8, replica: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -124.893332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.893332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.893332 (E_RNA)
where:
Base-Base interactions energy: -39.271
where: short stacking energy: -39.271
Base-Backbone interact. energy: -0.182
local terms energy: -85.440369
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -20.330
flat angles C4'-P-C4' energy: -23.644
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: -8.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -213.888042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.888042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.888042 (E_RNA)
where:
Base-Base interactions energy: -123.948
where: short stacking energy: -57.903
Base-Backbone interact. energy: -1.248
local terms energy: -88.692198
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -23.967
flat angles P-C4'-P energy: -16.382
tors. eta vs tors. theta energy: -14.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -105.027799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.027799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.027799 (E_RNA)
where:
Base-Base interactions energy: -37.187
where: short stacking energy: -28.850
Base-Backbone interact. energy: -0.379
local terms energy: -67.462321
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -21.480
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -0.281
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: 9
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -392.542444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.542444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.542444 (E_RNA)
where:
Base-Base interactions energy: -274.952
where: short stacking energy: -112.241
Base-Backbone interact. energy: -0.802
local terms energy: -116.788350
where:
bonds (distance) C4'-P energy: -23.785
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: -12.311
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: 2, replica: 5
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -392.170533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.170533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.170533 (E_RNA)
where:
Base-Base interactions energy: -280.829
where: short stacking energy: -119.494
Base-Backbone interact. energy: -0.207
local terms energy: -111.134341
where:
bonds (distance) C4'-P energy: -21.282
bonds (distance) P-C4' energy: -19.860
flat angles C4'-P-C4' energy: -20.933
flat angles P-C4'-P energy: -15.677
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: 3, replica: 8
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -310.850080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.850080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.850080 (E_RNA)
where:
Base-Base interactions energy: -202.768
where: short stacking energy: -90.235
Base-Backbone interact. energy: -0.072
local terms energy: -108.009955
where:
bonds (distance) C4'-P energy: -18.664
bonds (distance) P-C4' energy: -22.579
flat angles C4'-P-C4' energy: -25.488
flat angles P-C4'-P energy: -14.563
tors. eta vs tors. theta energy: -26.716
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: 3
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -328.383451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.383451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.383451 (E_RNA)
where:
Base-Base interactions energy: -227.005
where: short stacking energy: -100.004
Base-Backbone interact. energy: 0.277
local terms energy: -101.654738
where:
bonds (distance) C4'-P energy: -19.992
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -24.146
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -28.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -297.971125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.971125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.971125 (E_RNA)
where:
Base-Base interactions energy: -204.627
where: short stacking energy: -93.873
Base-Backbone interact. energy: -0.928
local terms energy: -92.416395
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -19.078
flat angles C4'-P-C4' energy: -18.818
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -26.180
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: 1
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -246.204289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.204289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.204289 (E_RNA)
where:
Base-Base interactions energy: -149.444
where: short stacking energy: -79.114
Base-Backbone interact. energy: -0.077
local terms energy: -96.684023
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -23.103
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -18.221
tors. eta vs tors. theta energy: -21.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -120.124860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.124860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.124860 (E_RNA)
where:
Base-Base interactions energy: -39.136
where: short stacking energy: -39.136
Base-Backbone interact. energy: 0.247
local terms energy: -81.236527
where:
bonds (distance) C4'-P energy: -23.260
bonds (distance) P-C4' energy: -20.975
flat angles C4'-P-C4' energy: -19.310
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -8.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -112.210602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.210602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.210602 (E_RNA)
where:
Base-Base interactions energy: -36.270
where: short stacking energy: -34.533
Base-Backbone interact. energy: 0.226
local terms energy: -76.166191
where:
bonds (distance) C4'-P energy: -21.555
bonds (distance) P-C4' energy: -22.724
flat angles C4'-P-C4' energy: -18.314
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -1.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -215.524407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.524407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.524407 (E_RNA)
where:
Base-Base interactions energy: -143.352
where: short stacking energy: -58.513
Base-Backbone interact. energy: -0.278
local terms energy: -71.894334
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -17.029
tors. eta vs tors. theta energy: -10.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -109.938008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.938008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.938008 (E_RNA)
where:
Base-Base interactions energy: -41.337
where: short stacking energy: -35.650
Base-Backbone interact. energy: -0.632
local terms energy: -67.968788
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -22.892
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -12.120
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: 111
Temperature: 0.900000
Total energy: -390.861522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.861522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.861522 (E_RNA)
where:
Base-Base interactions energy: -276.890
where: short stacking energy: -115.049
Base-Backbone interact. energy: -0.077
local terms energy: -113.894593
where:
bonds (distance) C4'-P energy: -22.349
bonds (distance) P-C4' energy: -18.613
flat angles C4'-P-C4' energy: -23.802
flat angles P-C4'-P energy: -14.897
tors. eta vs tors. theta energy: -34.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -387.634466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.634466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.634466 (E_RNA)
where:
Base-Base interactions energy: -274.990
where: short stacking energy: -111.166
Base-Backbone interact. energy: -0.002
local terms energy: -112.642900
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -21.338
flat angles C4'-P-C4' energy: -24.630
flat angles P-C4'-P energy: -16.024
tors. eta vs tors. theta energy: -33.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -309.085160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.085160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.085160 (E_RNA)
where:
Base-Base interactions energy: -206.692
where: short stacking energy: -93.100
Base-Backbone interact. energy: -0.960
local terms energy: -101.432683
where:
bonds (distance) C4'-P energy: -22.271
bonds (distance) P-C4' energy: -20.911
flat angles C4'-P-C4' energy: -21.678
flat angles P-C4'-P energy: -15.858
tors. eta vs tors. theta energy: -20.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -307.124201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.124201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.124201 (E_RNA)
where:
Base-Base interactions energy: -196.605
where: short stacking energy: -88.181
Base-Backbone interact. energy: -0.846
local terms energy: -109.672790
where:
bonds (distance) C4'-P energy: -25.375
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -20.778
flat angles P-C4'-P energy: -14.178
tors. eta vs tors. theta energy: -28.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -290.438568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.438568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.438568 (E_RNA)
where:
Base-Base interactions energy: -192.200
where: short stacking energy: -94.057
Base-Backbone interact. energy: 0.951
local terms energy: -99.189590
where:
bonds (distance) C4'-P energy: -19.757
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -24.685
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -26.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -140.664665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.664665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.664665 (E_RNA)
where:
Base-Base interactions energy: -66.104
where: short stacking energy: -47.762
Base-Backbone interact. energy: -0.244
local terms energy: -74.317134
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -23.666
flat angles C4'-P-C4' energy: -19.771
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -5.318
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: 1
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -220.060946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.060946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.060946 (E_RNA)
where:
Base-Base interactions energy: -131.373
where: short stacking energy: -69.100
Base-Backbone interact. energy: -0.003
local terms energy: -88.684893
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -23.001
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -20.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -214.499456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.499456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.499456 (E_RNA)
where:
Base-Base interactions energy: -140.995
where: short stacking energy: -60.732
Base-Backbone interact. energy: -0.110
local terms energy: -73.394290
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -17.414
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: 111
Temperature: 1.300000
Total energy: -117.167505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.167505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.167505 (E_RNA)
where:
Base-Base interactions energy: -36.519
where: short stacking energy: -36.402
Base-Backbone interact. energy: -0.085
local terms energy: -80.563468
where:
bonds (distance) C4'-P energy: -22.667
bonds (distance) P-C4' energy: -18.721
flat angles C4'-P-C4' energy: -20.596
flat angles P-C4'-P energy: -12.955
tors. eta vs tors. theta energy: -5.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -105.582194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.582194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.582194 (E_RNA)
where:
Base-Base interactions energy: -40.036
where: short stacking energy: -33.484
Base-Backbone interact. energy: -0.323
local terms energy: -65.222355
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -19.303
flat angles C4'-P-C4' energy: -19.094
flat angles P-C4'-P energy: -15.047
tors. eta vs tors. theta energy: 0.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -386.725618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.725618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.725618 (E_RNA)
where:
Base-Base interactions energy: -270.871
where: short stacking energy: -116.720
Base-Backbone interact. energy: -0.003
local terms energy: -115.851492
where:
bonds (distance) C4'-P energy: -22.153
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -24.318
flat angles P-C4'-P energy: -17.703
tors. eta vs tors. theta energy: -35.076
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: 5
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -394.542408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.542408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.542408 (E_RNA)
where:
Base-Base interactions energy: -278.963
where: short stacking energy: -112.568
Base-Backbone interact. energy: -0.004
local terms energy: -115.575414
where:
bonds (distance) C4'-P energy: -24.171
bonds (distance) P-C4' energy: -20.049
flat angles C4'-P-C4' energy: -25.010
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: -32.706
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: 8
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -320.893633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.893633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.893633 (E_RNA)
where:
Base-Base interactions energy: -219.907
where: short stacking energy: -89.414
Base-Backbone interact. energy: -0.700
local terms energy: -100.287076
where:
bonds (distance) C4'-P energy: -19.551
bonds (distance) P-C4' energy: -19.868
flat angles C4'-P-C4' energy: -24.776
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -24.010
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: 3
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -305.015662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.015662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.015662 (E_RNA)
where:
Base-Base interactions energy: -206.834
where: short stacking energy: -83.206
Base-Backbone interact. energy: -0.403
local terms energy: -97.778947
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -23.163
flat angles P-C4'-P energy: -13.289
tors. eta vs tors. theta energy: -27.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -268.596877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.596877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.596877 (E_RNA)
where:
Base-Base interactions energy: -177.666
where: short stacking energy: -72.793
Base-Backbone interact. energy: -0.005
local terms energy: -90.926000
where:
bonds (distance) C4'-P energy: -22.241
bonds (distance) P-C4' energy: -20.754
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -24.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -174.874769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.874769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.874769 (E_RNA)
where:
Base-Base interactions energy: -90.353
where: short stacking energy: -45.407
Base-Backbone interact. energy: -0.886
local terms energy: -83.636096
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -24.301
flat angles C4'-P-C4' energy: -18.939
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -9.015
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: 4
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -209.406157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.406157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.406157 (E_RNA)
where:
Base-Base interactions energy: -127.288
where: short stacking energy: -59.561
Base-Backbone interact. energy: -0.219
local terms energy: -81.899093
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -20.424
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -14.668
tors. eta vs tors. theta energy: -11.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -232.889041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.889041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.889041 (E_RNA)
where:
Base-Base interactions energy: -147.494
where: short stacking energy: -75.765
Base-Backbone interact. energy: 0.130
local terms energy: -85.525069
where:
bonds (distance) C4'-P energy: -17.966
bonds (distance) P-C4' energy: -16.257
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -15.679
tors. eta vs tors. theta energy: -19.045
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: 7
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -105.345636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.345636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.345636 (E_RNA)
where:
Base-Base interactions energy: -43.468
where: short stacking energy: -32.494
Base-Backbone interact. energy: -1.258
local terms energy: -60.619133
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -4.539
tors. eta vs tors. theta energy: 0.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -112.241692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.241692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.241692 (E_RNA)
where:
Base-Base interactions energy: -46.795
where: short stacking energy: -28.930
Base-Backbone interact. energy: -0.261
local terms energy: -65.185390
where:
bonds (distance) C4'-P energy: -18.312
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -20.422
flat angles P-C4'-P energy: -4.631
tors. eta vs tors. theta energy: -6.519
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: 113
Temperature: 0.900000
Total energy: -384.231215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.231215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.231215 (E_RNA)
where:
Base-Base interactions energy: -267.906
where: short stacking energy: -109.353
Base-Backbone interact. energy: -0.004
local terms energy: -116.320731
where:
bonds (distance) C4'-P energy: -23.194
bonds (distance) P-C4' energy: -22.542
flat angles C4'-P-C4' energy: -22.249
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -34.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -384.708309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.708309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.708309 (E_RNA)
where:
Base-Base interactions energy: -268.416
where: short stacking energy: -109.196
Base-Backbone interact. energy: -0.126
local terms energy: -116.165583
where:
bonds (distance) C4'-P energy: -22.262
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -24.395
flat angles P-C4'-P energy: -17.185
tors. eta vs tors. theta energy: -32.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -325.804291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.804291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.804291 (E_RNA)
where:
Base-Base interactions energy: -236.385
where: short stacking energy: -88.320
Base-Backbone interact. energy: 0.673
local terms energy: -90.092275
where:
bonds (distance) C4'-P energy: -20.996
bonds (distance) P-C4' energy: -19.869
flat angles C4'-P-C4' energy: -19.386
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: -23.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -323.135061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.135061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.135061 (E_RNA)
where:
Base-Base interactions energy: -222.631
where: short stacking energy: -102.788
Base-Backbone interact. energy: -0.603
local terms energy: -99.901199
where:
bonds (distance) C4'-P energy: -19.580
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -20.650
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -29.709
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: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -283.347398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.347398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.347398 (E_RNA)
where:
Base-Base interactions energy: -184.553
where: short stacking energy: -81.439
Base-Backbone interact. energy: -1.199
local terms energy: -97.595399
where:
bonds (distance) C4'-P energy: -17.883
bonds (distance) P-C4' energy: -19.907
flat angles C4'-P-C4' energy: -21.833
flat angles P-C4'-P energy: -13.573
tors. eta vs tors. theta energy: -24.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -216.924881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.924881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.924881 (E_RNA)
where:
Base-Base interactions energy: -134.632
where: short stacking energy: -70.293
Base-Backbone interact. energy: -0.106
local terms energy: -82.186024
where:
bonds (distance) C4'-P energy: -18.879
bonds (distance) P-C4' energy: -22.646
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -14.912
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: 7, replica: 6
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -180.346520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.346520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.346520 (E_RNA)
where:
Base-Base interactions energy: -95.593
where: short stacking energy: -50.685
Base-Backbone interact. energy: -0.265
local terms energy: -84.488575
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -22.895
flat angles C4'-P-C4' energy: -23.260
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -12.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -165.653281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.653281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.653281 (E_RNA)
where:
Base-Base interactions energy: -97.905
where: short stacking energy: -46.571
Base-Backbone interact. energy: 0.700
local terms energy: -68.448996
where:
bonds (distance) C4'-P energy: -20.295
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -12.299
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: 7
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -104.667137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.667137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.667137 (E_RNA)
where:
Base-Base interactions energy: -32.043
where: short stacking energy: -31.814
Base-Backbone interact. energy: -0.456
local terms energy: -72.168798
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -20.586
flat angles C4'-P-C4' energy: -18.943
flat angles P-C4'-P energy: -16.066
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: 10
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -99.000417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.000417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.000417 (E_RNA)
where:
Base-Base interactions energy: -32.452
where: short stacking energy: -26.840
Base-Backbone interact. energy: -0.463
local terms energy: -66.085442
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -18.399
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -1.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -387.764503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.764503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.764503 (E_RNA)
where:
Base-Base interactions energy: -270.744
where: short stacking energy: -108.739
Base-Backbone interact. energy: -0.131
local terms energy: -116.889319
where:
bonds (distance) C4'-P energy: -21.422
bonds (distance) P-C4' energy: -23.507
flat angles C4'-P-C4' energy: -23.962
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -35.216
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: 5
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -387.376475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.376475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.376475 (E_RNA)
where:
Base-Base interactions energy: -268.421
where: short stacking energy: -102.137
Base-Backbone interact. energy: -0.000
local terms energy: -118.954921
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -22.406
flat angles C4'-P-C4' energy: -25.996
flat angles P-C4'-P energy: -17.285
tors. eta vs tors. theta energy: -33.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -310.254977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.254977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.254977 (E_RNA)
where:
Base-Base interactions energy: -214.881
where: short stacking energy: -89.559
Base-Backbone interact. energy: -0.622
local terms energy: -94.752076
where:
bonds (distance) C4'-P energy: -18.685
bonds (distance) P-C4' energy: -20.786
flat angles C4'-P-C4' energy: -19.874
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -22.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -313.616896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.616896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.616896 (E_RNA)
where:
Base-Base interactions energy: -226.388
where: short stacking energy: -87.171
Base-Backbone interact. energy: -0.806
local terms energy: -86.422691
where:
bonds (distance) C4'-P energy: -21.207
bonds (distance) P-C4' energy: -17.229
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -5.543
tors. eta vs tors. theta energy: -25.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -298.378211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.378211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.378211 (E_RNA)
where:
Base-Base interactions energy: -201.890
where: short stacking energy: -87.995
Base-Backbone interact. energy: 0.460
local terms energy: -96.948343
where:
bonds (distance) C4'-P energy: -17.740
bonds (distance) P-C4' energy: -18.342
flat angles C4'-P-C4' energy: -20.858
flat angles P-C4'-P energy: -18.296
tors. eta vs tors. theta energy: -21.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -238.450831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.450831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.450831 (E_RNA)
where:
Base-Base interactions energy: -164.953
where: short stacking energy: -84.890
Base-Backbone interact. energy: -0.083
local terms energy: -73.414954
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -10.907
flat angles C4'-P-C4' energy: -19.545
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -19.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -121.353455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.353455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.353455 (E_RNA)
where:
Base-Base interactions energy: -46.138
where: short stacking energy: -31.860
Base-Backbone interact. energy: 1.682
local terms energy: -76.896658
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -22.927
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -12.498
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: 8, replica: 6
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -149.085420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.085420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.085420 (E_RNA)
where:
Base-Base interactions energy: -65.864
where: short stacking energy: -37.253
Base-Backbone interact. energy: 0.984
local terms energy: -84.204641
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -25.234
flat angles C4'-P-C4' energy: -21.340
flat angles P-C4'-P energy: -19.209
tors. eta vs tors. theta energy: -1.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -105.194209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.194209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.194209 (E_RNA)
where:
Base-Base interactions energy: -36.688
where: short stacking energy: -27.049
Base-Backbone interact. energy: 0.365
local terms energy: -68.871241
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -19.783
flat angles P-C4'-P energy: -16.359
tors. eta vs tors. theta energy: 0.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -102.767784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.767784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.767784 (E_RNA)
where:
Base-Base interactions energy: -33.071
where: short stacking energy: -31.146
Base-Backbone interact. energy: -0.494
local terms energy: -69.202149
where:
bonds (distance) C4'-P energy: -20.582
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -15.425
tors. eta vs tors. theta energy: -2.075
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: 9
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -393.679831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.679831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.679831 (E_RNA)
where:
Base-Base interactions energy: -270.572
where: short stacking energy: -110.904
Base-Backbone interact. energy: -0.517
local terms energy: -122.590760
where:
bonds (distance) C4'-P energy: -19.083
bonds (distance) P-C4' energy: -23.603
flat angles C4'-P-C4' energy: -25.878
flat angles P-C4'-P energy: -17.500
tors. eta vs tors. theta energy: -36.527
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: 5
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -387.123441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.123441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.123441 (E_RNA)
where:
Base-Base interactions energy: -260.869
where: short stacking energy: -100.332
Base-Backbone interact. energy: -1.100
local terms energy: -125.154402
where:
bonds (distance) C4'-P energy: -23.317
bonds (distance) P-C4' energy: -25.755
flat angles C4'-P-C4' energy: -25.083
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -32.936
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: 3
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -308.473479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.473479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.473479 (E_RNA)
where:
Base-Base interactions energy: -210.945
where: short stacking energy: -91.947
Base-Backbone interact. energy: -0.739
local terms energy: -96.790331
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -19.027
tors. eta vs tors. theta energy: -27.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -297.765729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.765729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.765729 (E_RNA)
where:
Base-Base interactions energy: -194.745
where: short stacking energy: -88.609
Base-Backbone interact. energy: -0.873
local terms energy: -102.147398
where:
bonds (distance) C4'-P energy: -16.672
bonds (distance) P-C4' energy: -21.594
flat angles C4'-P-C4' energy: -22.768
flat angles P-C4'-P energy: -16.107
tors. eta vs tors. theta energy: -25.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -302.832156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.832156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.832156 (E_RNA)
where:
Base-Base interactions energy: -211.576
where: short stacking energy: -84.793
Base-Backbone interact. energy: -0.430
local terms energy: -90.826361
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -20.575
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -22.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -242.633061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.633061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.633061 (E_RNA)
where:
Base-Base interactions energy: -159.610
where: short stacking energy: -75.764
Base-Backbone interact. energy: -0.824
local terms energy: -82.199305
where:
bonds (distance) C4'-P energy: -19.596
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -18.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -154.194725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.194725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.194725 (E_RNA)
where:
Base-Base interactions energy: -82.079
where: short stacking energy: -50.619
Base-Backbone interact. energy: -0.011
local terms energy: -72.104796
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -21.276
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -4.656
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: 115
Temperature: 1.250000
Total energy: -120.438792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.438792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.438792 (E_RNA)
where:
Base-Base interactions energy: -50.746
where: short stacking energy: -36.919
Base-Backbone interact. energy: -0.192
local terms energy: -69.501619
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -16.781
tors. eta vs tors. theta energy: -2.530
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: 6
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -114.552920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.552920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.552920 (E_RNA)
where:
Base-Base interactions energy: -41.715
where: short stacking energy: -29.102
Base-Backbone interact. energy: -0.145
local terms energy: -72.693260
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -20.248
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -14.432
tors. eta vs tors. theta energy: -5.428
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: 7
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -109.220442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.220442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.220442 (E_RNA)
where:
Base-Base interactions energy: -41.070
where: short stacking energy: -26.279
Base-Backbone interact. energy: -0.055
local terms energy: -68.096144
where:
bonds (distance) C4'-P energy: -18.400
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -22.135
flat angles P-C4'-P energy: -12.402
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: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -383.351218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.351218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.351218 (E_RNA)
where:
Base-Base interactions energy: -270.187
where: short stacking energy: -106.852
Base-Backbone interact. energy: -0.439
local terms energy: -112.725822
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -24.219
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -20.105
tors. eta vs tors. theta energy: -31.542
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: 5
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -385.531692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.531692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.531692 (E_RNA)
where:
Base-Base interactions energy: -269.594
where: short stacking energy: -107.932
Base-Backbone interact. energy: -0.102
local terms energy: -115.836212
where:
bonds (distance) C4'-P energy: -24.480
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -22.762
flat angles P-C4'-P energy: -18.597
tors. eta vs tors. theta energy: -33.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -303.434578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.434578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.434578 (E_RNA)
where:
Base-Base interactions energy: -201.568
where: short stacking energy: -92.234
Base-Backbone interact. energy: -0.777
local terms energy: -101.089326
where:
bonds (distance) C4'-P energy: -21.442
bonds (distance) P-C4' energy: -20.812
flat angles C4'-P-C4' energy: -21.683
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -25.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -309.064468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.064468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.064468 (E_RNA)
where:
Base-Base interactions energy: -208.749
where: short stacking energy: -91.452
Base-Backbone interact. energy: -0.009
local terms energy: -100.306896
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -20.288
flat angles C4'-P-C4' energy: -19.768
flat angles P-C4'-P energy: -14.723
tors. eta vs tors. theta energy: -27.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -256.914826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.914826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.914826 (E_RNA)
where:
Base-Base interactions energy: -167.062
where: short stacking energy: -73.911
Base-Backbone interact. energy: -0.937
local terms energy: -88.915772
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -20.612
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -16.302
tors. eta vs tors. theta energy: -15.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -281.433929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.433929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.433929 (E_RNA)
where:
Base-Base interactions energy: -193.977
where: short stacking energy: -79.554
Base-Backbone interact. energy: -0.608
local terms energy: -86.849053
where:
bonds (distance) C4'-P energy: -20.884
bonds (distance) P-C4' energy: -22.137
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -10.647
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: 7, replica: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -128.188941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.188941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.188941 (E_RNA)
where:
Base-Base interactions energy: -53.133
where: short stacking energy: -46.630
Base-Backbone interact. energy: 0.436
local terms energy: -75.492462
where:
bonds (distance) C4'-P energy: -22.790
bonds (distance) P-C4' energy: -19.152
flat angles C4'-P-C4' energy: -19.312
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -3.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -110.370374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.370374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.370374 (E_RNA)
where:
Base-Base interactions energy: -45.731
where: short stacking energy: -42.077
Base-Backbone interact. energy: 0.440
local terms energy: -65.079221
where:
bonds (distance) C4'-P energy: -19.745
bonds (distance) P-C4' energy: -18.907
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -3.861
tors. eta vs tors. theta energy: -5.571
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: 7
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -118.193942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.193942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.193942 (E_RNA)
where:
Base-Base interactions energy: -37.602
where: short stacking energy: -33.123
Base-Backbone interact. energy: 2.369
local terms energy: -82.960752
where:
bonds (distance) C4'-P energy: -18.781
bonds (distance) P-C4' energy: -25.340
flat angles C4'-P-C4' energy: -21.177
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -6.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -104.920755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.920755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.920755 (E_RNA)
where:
Base-Base interactions energy: -43.250
where: short stacking energy: -21.068
Base-Backbone interact. energy: 0.062
local terms energy: -61.732657
where:
bonds (distance) C4'-P energy: -16.530
bonds (distance) P-C4' energy: -18.551
flat angles C4'-P-C4' energy: -18.657
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: 2.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -390.552240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.552240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.552240 (E_RNA)
where:
Base-Base interactions energy: -270.084
where: short stacking energy: -114.505
Base-Backbone interact. energy: -0.167
local terms energy: -120.301419
where:
bonds (distance) C4'-P energy: -19.574
bonds (distance) P-C4' energy: -21.178
flat angles C4'-P-C4' energy: -25.010
flat angles P-C4'-P energy: -20.970
tors. eta vs tors. theta energy: -33.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -392.256100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.256100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.256100 (E_RNA)
where:
Base-Base interactions energy: -276.661
where: short stacking energy: -108.988
Base-Backbone interact. energy: -0.456
local terms energy: -115.138583
where:
bonds (distance) C4'-P energy: -18.113
bonds (distance) P-C4' energy: -21.022
flat angles C4'-P-C4' energy: -22.025
flat angles P-C4'-P energy: -18.476
tors. eta vs tors. theta energy: -35.503
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: 2
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -312.637609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.637609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.637609 (E_RNA)
where:
Base-Base interactions energy: -217.313
where: short stacking energy: -101.467
Base-Backbone interact. energy: -0.125
local terms energy: -95.200029
where:
bonds (distance) C4'-P energy: -22.295
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -19.868
flat angles P-C4'-P energy: -14.116
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: 4, replica: 4
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -264.330501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.330501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.330501 (E_RNA)
where:
Base-Base interactions energy: -167.207
where: short stacking energy: -74.554
Base-Backbone interact. energy: -0.006
local terms energy: -97.117712
where:
bonds (distance) C4'-P energy: -19.272
bonds (distance) P-C4' energy: -21.198
flat angles C4'-P-C4' energy: -19.541
flat angles P-C4'-P energy: -15.115
tors. eta vs tors. theta energy: -21.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -313.995162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.995162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.995162 (E_RNA)
where:
Base-Base interactions energy: -218.403
where: short stacking energy: -86.890
Base-Backbone interact. energy: -0.285
local terms energy: -95.306752
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -20.067
flat angles C4'-P-C4' energy: -20.310
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -27.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -272.628134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.628134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.628134 (E_RNA)
where:
Base-Base interactions energy: -179.315
where: short stacking energy: -84.848
Base-Backbone interact. energy: -0.267
local terms energy: -93.045401
where:
bonds (distance) C4'-P energy: -18.465
bonds (distance) P-C4' energy: -19.846
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -15.279
tors. eta vs tors. theta energy: -18.936
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: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -121.002015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.002015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.002015 (E_RNA)
where:
Base-Base interactions energy: -66.232
where: short stacking energy: -33.070
Base-Backbone interact. energy: 4.661
local terms energy: -59.431155
where:
bonds (distance) C4'-P energy: -18.362
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: 8.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -106.174607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.174607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.174607 (E_RNA)
where:
Base-Base interactions energy: -37.315
where: short stacking energy: -34.394
Base-Backbone interact. energy: -0.148
local terms energy: -68.712251
where:
bonds (distance) C4'-P energy: -17.422
bonds (distance) P-C4' energy: -24.558
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -3.689
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: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -108.373988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.373988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.373988 (E_RNA)
where:
Base-Base interactions energy: -42.347
where: short stacking energy: -37.002
Base-Backbone interact. energy: 1.234
local terms energy: -67.261749
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -21.969
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -0.845
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: 6
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -105.116518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.116518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.116518 (E_RNA)
where:
Base-Base interactions energy: -40.451
where: short stacking energy: -33.982
Base-Backbone interact. energy: -0.083
local terms energy: -64.582091
where:
bonds (distance) C4'-P energy: -18.285
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -5.322
tors. eta vs tors. theta energy: -2.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -394.383268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.383268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.383268 (E_RNA)
where:
Base-Base interactions energy: -277.342
where: short stacking energy: -115.683
Base-Backbone interact. energy: -0.038
local terms energy: -117.003385
where:
bonds (distance) C4'-P energy: -22.473
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -21.746
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -36.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -394.413983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.413983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.413983 (E_RNA)
where:
Base-Base interactions energy: -278.092
where: short stacking energy: -115.502
Base-Backbone interact. energy: -0.003
local terms energy: -116.318863
where:
bonds (distance) C4'-P energy: -22.899
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -23.743
flat angles P-C4'-P energy: -17.064
tors. eta vs tors. theta energy: -32.567
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: 2
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -315.150064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.150064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.150064 (E_RNA)
where:
Base-Base interactions energy: -218.856
where: short stacking energy: -101.728
Base-Backbone interact. energy: -0.411
local terms energy: -95.883388
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -21.805
flat angles C4'-P-C4' energy: -20.272
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -27.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -286.816638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.816638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.816638 (E_RNA)
where:
Base-Base interactions energy: -191.436
where: short stacking energy: -87.250
Base-Backbone interact. energy: -0.017
local terms energy: -95.363259
where:
bonds (distance) C4'-P energy: -19.058
bonds (distance) P-C4' energy: -20.430
flat angles C4'-P-C4' energy: -20.693
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -25.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -321.729243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.729243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.729243 (E_RNA)
where:
Base-Base interactions energy: -218.978
where: short stacking energy: -96.133
Base-Backbone interact. energy: -0.118
local terms energy: -102.633283
where:
bonds (distance) C4'-P energy: -20.784
bonds (distance) P-C4' energy: -21.508
flat angles C4'-P-C4' energy: -22.695
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -28.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -270.019239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.019239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.019239 (E_RNA)
where:
Base-Base interactions energy: -173.561
where: short stacking energy: -87.472
Base-Backbone interact. energy: -0.035
local terms energy: -96.423275
where:
bonds (distance) C4'-P energy: -21.087
bonds (distance) P-C4' energy: -26.644
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -19.882
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: 10
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -124.809482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.809482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.809482 (E_RNA)
where:
Base-Base interactions energy: -46.804
where: short stacking energy: -44.380
Base-Backbone interact. energy: -0.272
local terms energy: -77.733634
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -21.077
flat angles P-C4'-P energy: -16.462
tors. eta vs tors. theta energy: -4.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -113.387039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.387039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.387039 (E_RNA)
where:
Base-Base interactions energy: -37.406
where: short stacking energy: -37.216
Base-Backbone interact. energy: -0.149
local terms energy: -75.831828
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -20.897
flat angles C4'-P-C4' energy: -18.339
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -9.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -121.435473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.435473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.435473 (E_RNA)
where:
Base-Base interactions energy: -55.690
where: short stacking energy: -43.239
Base-Backbone interact. energy: 0.410
local terms energy: -66.155568
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -20.168
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -6.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -106.373139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.373139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.373139 (E_RNA)
where:
Base-Base interactions energy: -38.310
where: short stacking energy: -25.630
Base-Backbone interact. energy: -0.347
local terms energy: -67.716060
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -20.241
flat angles C4'-P-C4' energy: -20.880
flat angles P-C4'-P energy: -15.219
tors. eta vs tors. theta energy: 0.049
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: 1, replica: 9
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -392.804701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.804701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.804701 (E_RNA)
where:
Base-Base interactions energy: -276.321
where: short stacking energy: -110.441
Base-Backbone interact. energy: -0.005
local terms energy: -116.478757
where:
bonds (distance) C4'-P energy: -20.040
bonds (distance) P-C4' energy: -20.389
flat angles C4'-P-C4' energy: -23.735
flat angles P-C4'-P energy: -18.828
tors. eta vs tors. theta energy: -33.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -393.125823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.125823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.125823 (E_RNA)
where:
Base-Base interactions energy: -275.257
where: short stacking energy: -115.615
Base-Backbone interact. energy: -1.028
local terms energy: -116.841066
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -23.050
flat angles C4'-P-C4' energy: -25.019
flat angles P-C4'-P energy: -18.421
tors. eta vs tors. theta energy: -34.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -313.446558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.446558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.446558 (E_RNA)
where:
Base-Base interactions energy: -206.807
where: short stacking energy: -101.615
Base-Backbone interact. energy: -0.323
local terms energy: -106.316729
where:
bonds (distance) C4'-P energy: -18.885
bonds (distance) P-C4' energy: -23.112
flat angles C4'-P-C4' energy: -21.003
flat angles P-C4'-P energy: -16.059
tors. eta vs tors. theta energy: -27.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -324.673645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.673645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.673645 (E_RNA)
where:
Base-Base interactions energy: -221.889
where: short stacking energy: -98.492
Base-Backbone interact. energy: -0.012
local terms energy: -102.772590
where:
bonds (distance) C4'-P energy: -22.938
bonds (distance) P-C4' energy: -19.219
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -28.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -275.658428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.658428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.658428 (E_RNA)
where:
Base-Base interactions energy: -178.332
where: short stacking energy: -83.924
Base-Backbone interact. energy: -0.027
local terms energy: -97.298939
where:
bonds (distance) C4'-P energy: -20.295
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -20.757
flat angles P-C4'-P energy: -13.933
tors. eta vs tors. theta energy: -24.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -260.032381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.032381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.032381 (E_RNA)
where:
Base-Base interactions energy: -163.354
where: short stacking energy: -67.822
Base-Backbone interact. energy: -0.023
local terms energy: -96.654815
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -23.489
flat angles C4'-P-C4' energy: -22.084
flat angles P-C4'-P energy: -15.184
tors. eta vs tors. theta energy: -18.814
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: 7, replica: 10
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -114.818445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.818445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.818445 (E_RNA)
where:
Base-Base interactions energy: -39.217
where: short stacking energy: -39.217
Base-Backbone interact. energy: -0.249
local terms energy: -75.352417
where:
bonds (distance) C4'-P energy: -18.755
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -20.294
flat angles P-C4'-P energy: -14.860
tors. eta vs tors. theta energy: -5.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -128.845917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.845917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.845917 (E_RNA)
where:
Base-Base interactions energy: -55.173
where: short stacking energy: -36.102
Base-Backbone interact. energy: -0.200
local terms energy: -73.472905
where:
bonds (distance) C4'-P energy: -18.283
bonds (distance) P-C4' energy: -20.552
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -4.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -102.602141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.602141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.602141 (E_RNA)
where:
Base-Base interactions energy: -34.516
where: short stacking energy: -28.838
Base-Backbone interact. energy: 1.598
local terms energy: -69.684373
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -17.085
tors. eta vs tors. theta energy: 1.212
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: 7
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -100.396752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.396752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.396752 (E_RNA)
where:
Base-Base interactions energy: -41.001
where: short stacking energy: -20.968
Base-Backbone interact. energy: -0.252
local terms energy: -59.143400
where:
bonds (distance) C4'-P energy: -8.430
bonds (distance) P-C4' energy: -21.528
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -0.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -383.843137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.843137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.843137 (E_RNA)
where:
Base-Base interactions energy: -276.016
where: short stacking energy: -115.270
Base-Backbone interact. energy: -0.002
local terms energy: -107.824688
where:
bonds (distance) C4'-P energy: -19.782
bonds (distance) P-C4' energy: -19.380
flat angles C4'-P-C4' energy: -21.227
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -32.898
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: 5
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -395.442998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.442998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.442998 (E_RNA)
where:
Base-Base interactions energy: -274.718
where: short stacking energy: -116.014
Base-Backbone interact. energy: -0.060
local terms energy: -120.664638
where:
bonds (distance) C4'-P energy: -24.593
bonds (distance) P-C4' energy: -19.773
flat angles C4'-P-C4' energy: -25.597
flat angles P-C4'-P energy: -16.564
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: 3, replica: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -317.201825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.201825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.201825 (E_RNA)
where:
Base-Base interactions energy: -215.538
where: short stacking energy: -93.457
Base-Backbone interact. energy: -0.840
local terms energy: -100.824447
where:
bonds (distance) C4'-P energy: -20.789
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -22.389
flat angles P-C4'-P energy: -14.765
tors. eta vs tors. theta energy: -25.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -306.907069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.907069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.907069 (E_RNA)
where:
Base-Base interactions energy: -202.782
where: short stacking energy: -99.357
Base-Backbone interact. energy: -1.073
local terms energy: -103.051898
where:
bonds (distance) C4'-P energy: -17.636
bonds (distance) P-C4' energy: -19.152
flat angles C4'-P-C4' energy: -22.311
flat angles P-C4'-P energy: -17.316
tors. eta vs tors. theta energy: -26.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -268.443841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.443841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.443841 (E_RNA)
where:
Base-Base interactions energy: -185.111
where: short stacking energy: -60.982
Base-Backbone interact. energy: -1.210
local terms energy: -82.123227
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -20.706
flat angles C4'-P-C4' energy: -20.957
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -13.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -250.124719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.124719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.124719 (E_RNA)
where:
Base-Base interactions energy: -157.591
where: short stacking energy: -72.316
Base-Backbone interact. energy: -0.869
local terms energy: -91.664963
where:
bonds (distance) C4'-P energy: -20.296
bonds (distance) P-C4' energy: -23.443
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -17.075
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: 7, replica: 10
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -129.502211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.502211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.502211 (E_RNA)
where:
Base-Base interactions energy: -51.082
where: short stacking energy: -48.365
Base-Backbone interact. energy: -0.313
local terms energy: -78.107949
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -24.918
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -11.837
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: 8, replica: 6
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -111.791277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.791277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.791277 (E_RNA)
where:
Base-Base interactions energy: -43.478
where: short stacking energy: -34.616
Base-Backbone interact. energy: -0.761
local terms energy: -67.552039
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -23.887
flat angles C4'-P-C4' energy: -21.813
flat angles P-C4'-P energy: -8.049
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: 9, replica: 7
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -121.481052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.481052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.481052 (E_RNA)
where:
Base-Base interactions energy: -52.387
where: short stacking energy: -51.674
Base-Backbone interact. energy: -0.019
local terms energy: -69.075264
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -17.366
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -17.121
tors. eta vs tors. theta energy: -9.549
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: 1
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -103.827678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.827678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.827678 (E_RNA)
where:
Base-Base interactions energy: -38.996
where: short stacking energy: -36.792
Base-Backbone interact. energy: -0.307
local terms energy: -64.524622
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -21.084
flat angles C4'-P-C4' energy: -22.078
flat angles P-C4'-P energy: -3.338
tors. eta vs tors. theta energy: -3.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -392.196420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.196420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.196420 (E_RNA)
where:
Base-Base interactions energy: -273.451
where: short stacking energy: -115.246
Base-Backbone interact. energy: -0.001
local terms energy: -118.744119
where:
bonds (distance) C4'-P energy: -22.462
bonds (distance) P-C4' energy: -22.638
flat angles C4'-P-C4' energy: -23.292
flat angles P-C4'-P energy: -16.763
tors. eta vs tors. theta energy: -33.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -384.581460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.581460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.581460 (E_RNA)
where:
Base-Base interactions energy: -265.148
where: short stacking energy: -109.279
Base-Backbone interact. energy: -0.418
local terms energy: -119.015995
where:
bonds (distance) C4'-P energy: -24.055
bonds (distance) P-C4' energy: -23.161
flat angles C4'-P-C4' energy: -21.841
flat angles P-C4'-P energy: -16.762
tors. eta vs tors. theta energy: -33.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -324.373364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.373364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.373364 (E_RNA)
where:
Base-Base interactions energy: -214.021
where: short stacking energy: -85.740
Base-Backbone interact. energy: 0.553
local terms energy: -110.905220
where:
bonds (distance) C4'-P energy: -22.398
bonds (distance) P-C4' energy: -21.632
flat angles C4'-P-C4' energy: -24.829
flat angles P-C4'-P energy: -15.926
tors. eta vs tors. theta energy: -26.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -296.890465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.890465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.890465 (E_RNA)
where:
Base-Base interactions energy: -198.797
where: short stacking energy: -82.459
Base-Backbone interact. energy: -0.717
local terms energy: -97.376995
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -23.995
flat angles C4'-P-C4' energy: -21.461
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -22.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -292.341686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.341686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.341686 (E_RNA)
where:
Base-Base interactions energy: -191.305
where: short stacking energy: -90.465
Base-Backbone interact. energy: -1.049
local terms energy: -99.987739
where:
bonds (distance) C4'-P energy: -21.028
bonds (distance) P-C4' energy: -19.479
flat angles C4'-P-C4' energy: -21.428
flat angles P-C4'-P energy: -18.386
tors. eta vs tors. theta energy: -19.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -252.877767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.877767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.877767 (E_RNA)
where:
Base-Base interactions energy: -164.198
where: short stacking energy: -76.172
Base-Backbone interact. energy: -0.257
local terms energy: -88.422542
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -21.635
flat angles C4'-P-C4' energy: -21.722
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -17.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -120.244793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.244793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.244793 (E_RNA)
where:
Base-Base interactions energy: -41.919
where: short stacking energy: -41.637
Base-Backbone interact. energy: -0.134
local terms energy: -78.192025
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -18.341
flat angles C4'-P-C4' energy: -20.629
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -12.290
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: 7
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -133.820515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.820515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.820515 (E_RNA)
where:
Base-Base interactions energy: -69.679
where: short stacking energy: -40.370
Base-Backbone interact. energy: -0.297
local terms energy: -63.844277
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -18.660
flat angles P-C4'-P energy: -2.440
tors. eta vs tors. theta energy: -7.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -105.014841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.014841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.014841 (E_RNA)
where:
Base-Base interactions energy: -30.225
where: short stacking energy: -19.882
Base-Backbone interact. energy: -0.008
local terms energy: -74.781297
where:
bonds (distance) C4'-P energy: -22.357
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -22.649
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: 1.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -111.835069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.835069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.835069 (E_RNA)
where:
Base-Base interactions energy: -37.382
where: short stacking energy: -25.265
Base-Backbone interact. energy: -1.128
local terms energy: -73.325243
where:
bonds (distance) C4'-P energy: -20.524
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -15.083
tors. eta vs tors. theta energy: -9.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -394.639058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.639058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.639058 (E_RNA)
where:
Base-Base interactions energy: -277.096
where: short stacking energy: -112.950
Base-Backbone interact. energy: -0.250
local terms energy: -117.293130
where:
bonds (distance) C4'-P energy: -23.619
bonds (distance) P-C4' energy: -23.672
flat angles C4'-P-C4' energy: -21.800
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -35.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -391.590158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.590158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.590158 (E_RNA)
where:
Base-Base interactions energy: -282.131
where: short stacking energy: -114.591
Base-Backbone interact. energy: -0.100
local terms energy: -109.358975
where:
bonds (distance) C4'-P energy: -18.333
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -24.148
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -33.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -309.325758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.325758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.325758 (E_RNA)
where:
Base-Base interactions energy: -205.823
where: short stacking energy: -89.114
Base-Backbone interact. energy: -1.085
local terms energy: -102.418513
where:
bonds (distance) C4'-P energy: -20.238
bonds (distance) P-C4' energy: -21.571
flat angles C4'-P-C4' energy: -24.106
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -26.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -292.037087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.037087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.037087 (E_RNA)
where:
Base-Base interactions energy: -188.022
where: short stacking energy: -77.827
Base-Backbone interact. energy: -0.234
local terms energy: -103.780738
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -25.277
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -18.174
tors. eta vs tors. theta energy: -24.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -294.201510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.201510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.201510 (E_RNA)
where:
Base-Base interactions energy: -197.013
where: short stacking energy: -89.859
Base-Backbone interact. energy: -0.093
local terms energy: -97.095419
where:
bonds (distance) C4'-P energy: -22.357
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -22.545
flat angles P-C4'-P energy: -15.562
tors. eta vs tors. theta energy: -20.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -263.854389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.854389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.854389 (E_RNA)
where:
Base-Base interactions energy: -165.835
where: short stacking energy: -83.457
Base-Backbone interact. energy: -2.389
local terms energy: -95.630597
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -22.600
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -20.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -144.163151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.163151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.163151 (E_RNA)
where:
Base-Base interactions energy: -81.927
where: short stacking energy: -30.522
Base-Backbone interact. energy: -0.236
local terms energy: -62.000200
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -19.854
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -6.028
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: 8, replica: 10
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -110.817723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.817723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.817723 (E_RNA)
where:
Base-Base interactions energy: -55.112
where: short stacking energy: -44.300
Base-Backbone interact. energy: -0.976
local terms energy: -54.730002
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -19.205
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: 5.485
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: 9, replica: 1
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -110.668392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.668392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.668392 (E_RNA)
where:
Base-Base interactions energy: -34.672
where: short stacking energy: -34.672
Base-Backbone interact. energy: 1.971
local terms energy: -77.966937
where:
bonds (distance) C4'-P energy: -20.438
bonds (distance) P-C4' energy: -19.105
flat angles C4'-P-C4' energy: -18.992
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -5.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -101.301392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.301392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.301392 (E_RNA)
where:
Base-Base interactions energy: -47.634
where: short stacking energy: -46.596
Base-Backbone interact. energy: 0.031
local terms energy: -53.698043
where:
bonds (distance) C4'-P energy: -23.524
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -1.065
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -2.561
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: 9
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -408.320279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.320279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.320279 (E_RNA)
where:
Base-Base interactions energy: -285.057
where: short stacking energy: -119.410
Base-Backbone interact. energy: -0.002
local terms energy: -123.261333
where:
bonds (distance) C4'-P energy: -21.054
bonds (distance) P-C4' energy: -20.918
flat angles C4'-P-C4' energy: -26.841
flat angles P-C4'-P energy: -19.629
tors. eta vs tors. theta energy: -34.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -388.073170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.073170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.073170 (E_RNA)
where:
Base-Base interactions energy: -275.265
where: short stacking energy: -112.114
Base-Backbone interact. energy: -0.112
local terms energy: -112.696517
where:
bonds (distance) C4'-P energy: -19.622
bonds (distance) P-C4' energy: -21.965
flat angles C4'-P-C4' energy: -21.803
flat angles P-C4'-P energy: -14.959
tors. eta vs tors. theta energy: -34.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -293.916128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.916128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.916128 (E_RNA)
where:
Base-Base interactions energy: -194.455
where: short stacking energy: -83.388
Base-Backbone interact. energy: -0.204
local terms energy: -99.257605
where:
bonds (distance) C4'-P energy: -20.945
bonds (distance) P-C4' energy: -23.572
flat angles C4'-P-C4' energy: -18.880
flat angles P-C4'-P energy: -16.303
tors. eta vs tors. theta energy: -19.558
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: 4
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -326.958324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.958324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.958324 (E_RNA)
where:
Base-Base interactions energy: -223.339
where: short stacking energy: -94.271
Base-Backbone interact. energy: -0.220
local terms energy: -103.400033
where:
bonds (distance) C4'-P energy: -16.630
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -22.324
flat angles P-C4'-P energy: -17.402
tors. eta vs tors. theta energy: -28.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -288.650833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.650833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.650833 (E_RNA)
where:
Base-Base interactions energy: -192.105
where: short stacking energy: -78.725
Base-Backbone interact. energy: 1.256
local terms energy: -97.802111
where:
bonds (distance) C4'-P energy: -23.846
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -23.497
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -20.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -255.499809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.499809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.499809 (E_RNA)
where:
Base-Base interactions energy: -168.615
where: short stacking energy: -86.115
Base-Backbone interact. energy: -0.110
local terms energy: -86.774698
where:
bonds (distance) C4'-P energy: -20.432
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -19.230
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -22.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -166.283078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.283078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.283078 (E_RNA)
where:
Base-Base interactions energy: -94.873
where: short stacking energy: -48.990
Base-Backbone interact. energy: -0.611
local terms energy: -70.798977
where:
bonds (distance) C4'-P energy: -18.987
bonds (distance) P-C4' energy: -18.829
flat angles C4'-P-C4' energy: -21.841
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -2.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -107.342689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.342689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.342689 (E_RNA)
where:
Base-Base interactions energy: -42.343
where: short stacking energy: -35.376
Base-Backbone interact. energy: -0.230
local terms energy: -64.769531
where:
bonds (distance) C4'-P energy: -19.483
bonds (distance) P-C4' energy: -17.161
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -1.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -106.585109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.585109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.585109 (E_RNA)
where:
Base-Base interactions energy: -37.440
where: short stacking energy: -37.440
Base-Backbone interact. energy: 0.188
local terms energy: -69.333488
where:
bonds (distance) C4'-P energy: -20.176
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -4.549
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: 6
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -99.703066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.703066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.703066 (E_RNA)
where:
Base-Base interactions energy: -35.297
where: short stacking energy: -32.988
Base-Backbone interact. energy: -0.466
local terms energy: -63.939755
where:
bonds (distance) C4'-P energy: -23.102
bonds (distance) P-C4' energy: -17.736
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: 0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -391.562832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.562832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.562832 (E_RNA)
where:
Base-Base interactions energy: -270.160
where: short stacking energy: -116.768
Base-Backbone interact. energy: -0.004
local terms energy: -121.398476
where:
bonds (distance) C4'-P energy: -25.024
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -24.901
flat angles P-C4'-P energy: -15.496
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: 2, replica: 5
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -391.059019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.059019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.059019 (E_RNA)
where:
Base-Base interactions energy: -276.332
where: short stacking energy: -117.054
Base-Backbone interact. energy: -0.417
local terms energy: -114.309495
where:
bonds (distance) C4'-P energy: -20.316
bonds (distance) P-C4' energy: -21.938
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -14.581
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: 3, replica: 4
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -341.168302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.168302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.168302 (E_RNA)
where:
Base-Base interactions energy: -232.237
where: short stacking energy: -87.552
Base-Backbone interact. energy: -0.652
local terms energy: -108.278785
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -24.229
flat angles C4'-P-C4' energy: -24.090
flat angles P-C4'-P energy: -15.983
tors. eta vs tors. theta energy: -26.185
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: 4, replica: 3
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -305.752913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.752913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.752913 (E_RNA)
where:
Base-Base interactions energy: -206.421
where: short stacking energy: -93.223
Base-Backbone interact. energy: -0.591
local terms energy: -98.741477
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -25.006
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -23.706
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: 2
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -280.761091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.761091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.761091 (E_RNA)
where:
Base-Base interactions energy: -187.295
where: short stacking energy: -87.634
Base-Backbone interact. energy: -0.293
local terms energy: -93.173309
where:
bonds (distance) C4'-P energy: -18.659
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -23.881
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -23.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -240.452402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.452402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.452402 (E_RNA)
where:
Base-Base interactions energy: -148.832
where: short stacking energy: -74.647
Base-Backbone interact. energy: 1.169
local terms energy: -92.788493
where:
bonds (distance) C4'-P energy: -21.363
bonds (distance) P-C4' energy: -19.710
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -15.100
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: 7, replica: 1
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -145.835068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.835068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.835068 (E_RNA)
where:
Base-Base interactions energy: -73.559
where: short stacking energy: -39.282
Base-Backbone interact. energy: -0.186
local terms energy: -72.089678
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -24.064
flat angles C4'-P-C4' energy: -19.147
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -0.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -119.739914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.739914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.739914 (E_RNA)
where:
Base-Base interactions energy: -51.848
where: short stacking energy: -34.719
Base-Backbone interact. energy: -0.797
local terms energy: -67.094892
where:
bonds (distance) C4'-P energy: -17.439
bonds (distance) P-C4' energy: -20.254
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -1.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -108.525376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.525376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.525376 (E_RNA)
where:
Base-Base interactions energy: -45.626
where: short stacking energy: -45.626
Base-Backbone interact. energy: -0.538
local terms energy: -62.361971
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -9.321
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: 6
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -105.973734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.973734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.973734 (E_RNA)
where:
Base-Base interactions energy: -34.820
where: short stacking energy: -31.323
Base-Backbone interact. energy: -2.528
local terms energy: -68.625899
where:
bonds (distance) C4'-P energy: -20.367
bonds (distance) P-C4' energy: -22.339
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: 0.811
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: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -389.877908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.877908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.877908 (E_RNA)
where:
Base-Base interactions energy: -274.492
where: short stacking energy: -114.950
Base-Backbone interact. energy: -0.703
local terms energy: -114.682792
where:
bonds (distance) C4'-P energy: -20.598
bonds (distance) P-C4' energy: -22.556
flat angles C4'-P-C4' energy: -25.868
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -34.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -389.804384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.804384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.804384 (E_RNA)
where:
Base-Base interactions energy: -275.803
where: short stacking energy: -115.645
Base-Backbone interact. energy: -0.148
local terms energy: -113.854278
where:
bonds (distance) C4'-P energy: -23.698
bonds (distance) P-C4' energy: -23.672
flat angles C4'-P-C4' energy: -23.422
flat angles P-C4'-P energy: -8.057
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: 3, replica: 4
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -336.110668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.110668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.110668 (E_RNA)
where:
Base-Base interactions energy: -230.197
where: short stacking energy: -99.280
Base-Backbone interact. energy: -1.440
local terms energy: -104.474129
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -20.853
flat angles C4'-P-C4' energy: -21.412
flat angles P-C4'-P energy: -15.980
tors. eta vs tors. theta energy: -28.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -310.871294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.871294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.871294 (E_RNA)
where:
Base-Base interactions energy: -209.091
where: short stacking energy: -90.746
Base-Backbone interact. energy: -0.794
local terms energy: -100.986656
where:
bonds (distance) C4'-P energy: -22.320
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -14.677
tors. eta vs tors. theta energy: -25.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -298.047308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.047308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.047308 (E_RNA)
where:
Base-Base interactions energy: -196.089
where: short stacking energy: -89.493
Base-Backbone interact. energy: -0.374
local terms energy: -101.584955
where:
bonds (distance) C4'-P energy: -23.458
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -22.087
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -22.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -231.087415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.087415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.087415 (E_RNA)
where:
Base-Base interactions energy: -140.779
where: short stacking energy: -65.054
Base-Backbone interact. energy: 0.921
local terms energy: -91.229522
where:
bonds (distance) C4'-P energy: -18.814
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -21.896
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -20.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -149.800323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.800323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.800323 (E_RNA)
where:
Base-Base interactions energy: -74.702
where: short stacking energy: -51.808
Base-Backbone interact. energy: -0.048
local terms energy: -75.049798
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -22.416
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -5.386
tors. eta vs tors. theta energy: -13.892
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: 10
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -117.022768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.022768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.022768 (E_RNA)
where:
Base-Base interactions energy: -39.407
where: short stacking energy: -39.407
Base-Backbone interact. energy: 0.541
local terms energy: -78.156041
where:
bonds (distance) C4'-P energy: -21.894
bonds (distance) P-C4' energy: -18.799
flat angles C4'-P-C4' energy: -22.281
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -2.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -124.006745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.006745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.006745 (E_RNA)
where:
Base-Base interactions energy: -55.812
where: short stacking energy: -29.566
Base-Backbone interact. energy: -0.265
local terms energy: -67.930033
where:
bonds (distance) C4'-P energy: -17.759
bonds (distance) P-C4' energy: -22.400
flat angles C4'-P-C4' energy: -20.344
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -1.112
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: 6
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -99.540033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.540033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.540033 (E_RNA)
where:
Base-Base interactions energy: -40.865
where: short stacking energy: -34.346
Base-Backbone interact. energy: 0.131
local terms energy: -58.805413
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -15.624
tors. eta vs tors. theta energy: 1.215
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: 1, replica: 5
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -388.405863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.405863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.405863 (E_RNA)
where:
Base-Base interactions energy: -269.031
where: short stacking energy: -108.000
Base-Backbone interact. energy: -0.099
local terms energy: -119.276093
where:
bonds (distance) C4'-P energy: -23.460
bonds (distance) P-C4' energy: -24.850
flat angles C4'-P-C4' energy: -23.691
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -33.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -383.988728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.988728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.988728 (E_RNA)
where:
Base-Base interactions energy: -278.198
where: short stacking energy: -111.253
Base-Backbone interact. energy: -0.001
local terms energy: -105.789673
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -21.521
flat angles C4'-P-C4' energy: -21.054
flat angles P-C4'-P energy: -14.010
tors. eta vs tors. theta energy: -34.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -318.191634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.191634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.191634 (E_RNA)
where:
Base-Base interactions energy: -211.556
where: short stacking energy: -88.213
Base-Backbone interact. energy: 2.307
local terms energy: -108.942288
where:
bonds (distance) C4'-P energy: -22.216
bonds (distance) P-C4' energy: -19.355
flat angles C4'-P-C4' energy: -22.157
flat angles P-C4'-P energy: -16.721
tors. eta vs tors. theta energy: -28.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -318.841676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.841676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.841676 (E_RNA)
where:
Base-Base interactions energy: -224.010
where: short stacking energy: -92.666
Base-Backbone interact. energy: -0.696
local terms energy: -94.135711
where:
bonds (distance) C4'-P energy: -23.261
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -14.781
tors. eta vs tors. theta energy: -23.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -292.209775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.209775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.209775 (E_RNA)
where:
Base-Base interactions energy: -186.960
where: short stacking energy: -89.283
Base-Backbone interact. energy: 0.872
local terms energy: -106.121725
where:
bonds (distance) C4'-P energy: -21.860
bonds (distance) P-C4' energy: -19.603
flat angles C4'-P-C4' energy: -23.754
flat angles P-C4'-P energy: -14.829
tors. eta vs tors. theta energy: -26.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -229.060382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.060382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.060382 (E_RNA)
where:
Base-Base interactions energy: -144.813
where: short stacking energy: -69.624
Base-Backbone interact. energy: -0.134
local terms energy: -84.113283
where:
bonds (distance) C4'-P energy: -21.093
bonds (distance) P-C4' energy: -21.196
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -11.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -128.927704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.927704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.927704 (E_RNA)
where:
Base-Base interactions energy: -49.479
where: short stacking energy: -49.479
Base-Backbone interact. energy: -0.107
local terms energy: -79.341028
where:
bonds (distance) C4'-P energy: -19.236
bonds (distance) P-C4' energy: -15.736
flat angles C4'-P-C4' energy: -22.333
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -14.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -121.929055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.929055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.929055 (E_RNA)
where:
Base-Base interactions energy: -52.976
where: short stacking energy: -43.869
Base-Backbone interact. energy: -0.251
local terms energy: -68.702296
where:
bonds (distance) C4'-P energy: -24.257
bonds (distance) P-C4' energy: -16.810
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: -6.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -123.060940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.060940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.060940 (E_RNA)
where:
Base-Base interactions energy: -52.575
where: short stacking energy: -52.575
Base-Backbone interact. energy: -0.320
local terms energy: -70.166567
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -20.157
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -6.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -104.576170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.576170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.576170 (E_RNA)
where:
Base-Base interactions energy: -37.522
where: short stacking energy: -31.616
Base-Backbone interact. energy: -0.409
local terms energy: -66.645161
where:
bonds (distance) C4'-P energy: -20.561
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -0.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -391.178879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.178879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.178879 (E_RNA)
where:
Base-Base interactions energy: -271.736
where: short stacking energy: -114.297
Base-Backbone interact. energy: -0.052
local terms energy: -119.391063
where:
bonds (distance) C4'-P energy: -24.230
bonds (distance) P-C4' energy: -20.235
flat angles C4'-P-C4' energy: -24.896
flat angles P-C4'-P energy: -18.342
tors. eta vs tors. theta energy: -31.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -389.258995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.258995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.258995 (E_RNA)
where:
Base-Base interactions energy: -266.018
where: short stacking energy: -102.590
Base-Backbone interact. energy: -1.333
local terms energy: -121.908105
where:
bonds (distance) C4'-P energy: -21.248
bonds (distance) P-C4' energy: -23.783
flat angles C4'-P-C4' energy: -26.448
flat angles P-C4'-P energy: -16.912
tors. eta vs tors. theta energy: -33.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -346.376852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.376852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.376852 (E_RNA)
where:
Base-Base interactions energy: -239.143
where: short stacking energy: -101.711
Base-Backbone interact. energy: -0.003
local terms energy: -107.230915
where:
bonds (distance) C4'-P energy: -21.659
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -20.111
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -31.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -319.165782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.165782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.165782 (E_RNA)
where:
Base-Base interactions energy: -211.421
where: short stacking energy: -94.834
Base-Backbone interact. energy: 0.120
local terms energy: -107.864431
where:
bonds (distance) C4'-P energy: -18.260
bonds (distance) P-C4' energy: -22.827
flat angles C4'-P-C4' energy: -22.187
flat angles P-C4'-P energy: -16.288
tors. eta vs tors. theta energy: -28.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -291.259143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.259143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.259143 (E_RNA)
where:
Base-Base interactions energy: -194.428
where: short stacking energy: -84.920
Base-Backbone interact. energy: -0.519
local terms energy: -96.312083
where:
bonds (distance) C4'-P energy: -19.314
bonds (distance) P-C4' energy: -19.120
flat angles C4'-P-C4' energy: -18.297
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -26.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -226.750179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.750179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.750179 (E_RNA)
where:
Base-Base interactions energy: -138.528
where: short stacking energy: -70.830
Base-Backbone interact. energy: 0.545
local terms energy: -88.767236
where:
bonds (distance) C4'-P energy: -17.740
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -22.129
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -19.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -108.698491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.698491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.698491 (E_RNA)
where:
Base-Base interactions energy: -39.542
where: short stacking energy: -37.436
Base-Backbone interact. energy: -0.560
local terms energy: -68.596651
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -16.162
flat angles C4'-P-C4' energy: -22.043
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -3.508
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: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -113.275986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.275986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.275986 (E_RNA)
where:
Base-Base interactions energy: -41.241
where: short stacking energy: -41.241
Base-Backbone interact. energy: -0.031
local terms energy: -72.004466
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -4.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -132.731801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.731801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.731801 (E_RNA)
where:
Base-Base interactions energy: -58.036
where: short stacking energy: -33.393
Base-Backbone interact. energy: -0.678
local terms energy: -74.017377
where:
bonds (distance) C4'-P energy: -17.592
bonds (distance) P-C4' energy: -18.990
flat angles C4'-P-C4' energy: -22.876
flat angles P-C4'-P energy: -14.755
tors. eta vs tors. theta energy: 0.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -96.450634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.450634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.450634 (E_RNA)
where:
Base-Base interactions energy: -32.196
where: short stacking energy: -30.582
Base-Backbone interact. energy: -1.001
local terms energy: -63.254192
where:
bonds (distance) C4'-P energy: -24.423
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -19.396
flat angles P-C4'-P energy: -3.339
tors. eta vs tors. theta energy: -1.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -387.661048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.661048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.661048 (E_RNA)
where:
Base-Base interactions energy: -271.937
where: short stacking energy: -112.631
Base-Backbone interact. energy: -0.019
local terms energy: -115.704503
where:
bonds (distance) C4'-P energy: -22.456
bonds (distance) P-C4' energy: -21.327
flat angles C4'-P-C4' energy: -21.824
flat angles P-C4'-P energy: -15.476
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: 2, replica: 9
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -386.194095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.194095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.194095 (E_RNA)
where:
Base-Base interactions energy: -270.960
where: short stacking energy: -113.058
Base-Backbone interact. energy: -0.094
local terms energy: -115.140433
where:
bonds (distance) C4'-P energy: -23.086
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -26.971
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -34.718
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: 4
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -342.215641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.215641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.215641 (E_RNA)
where:
Base-Base interactions energy: -243.633
where: short stacking energy: -96.339
Base-Backbone interact. energy: -0.069
local terms energy: -98.513545
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -20.531
flat angles C4'-P-C4' energy: -22.973
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -29.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -313.954153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.954153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.954153 (E_RNA)
where:
Base-Base interactions energy: -214.652
where: short stacking energy: -95.443
Base-Backbone interact. energy: -0.086
local terms energy: -99.215836
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -20.734
flat angles C4'-P-C4' energy: -20.662
flat angles P-C4'-P energy: -14.159
tors. eta vs tors. theta energy: -29.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -291.876345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.876345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.876345 (E_RNA)
where:
Base-Base interactions energy: -193.842
where: short stacking energy: -86.569
Base-Backbone interact. energy: -0.109
local terms energy: -97.925545
where:
bonds (distance) C4'-P energy: -18.387
bonds (distance) P-C4' energy: -23.528
flat angles C4'-P-C4' energy: -19.012
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -24.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -273.738918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.738918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.738918 (E_RNA)
where:
Base-Base interactions energy: -191.688
where: short stacking energy: -75.349
Base-Backbone interact. energy: 1.608
local terms energy: -83.659579
where:
bonds (distance) C4'-P energy: -10.874
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -24.284
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -16.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -115.067585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.067585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.067585 (E_RNA)
where:
Base-Base interactions energy: -38.633
where: short stacking energy: -30.510
Base-Backbone interact. energy: -0.270
local terms energy: -76.163792
where:
bonds (distance) C4'-P energy: -21.075
bonds (distance) P-C4' energy: -20.783
flat angles C4'-P-C4' energy: -19.543
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -4.452
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: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -118.135654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.135654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.135654 (E_RNA)
where:
Base-Base interactions energy: -48.001
where: short stacking energy: -24.335
Base-Backbone interact. energy: -0.456
local terms energy: -69.678287
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -25.144
flat angles C4'-P-C4' energy: -23.244
flat angles P-C4'-P energy: -7.241
tors. eta vs tors. theta energy: 2.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -113.900178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.900178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.900178 (E_RNA)
where:
Base-Base interactions energy: -46.790
where: short stacking energy: -34.921
Base-Backbone interact. energy: 1.007
local terms energy: -68.117736
where:
bonds (distance) C4'-P energy: -18.105
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -1.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -129.204982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.204982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.204982 (E_RNA)
where:
Base-Base interactions energy: -56.092
where: short stacking energy: -31.473
Base-Backbone interact. energy: -1.397
local terms energy: -71.716746
where:
bonds (distance) C4'-P energy: -17.401
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -6.695
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: 1, replica: 5
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -392.858286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.858286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.858286 (E_RNA)
where:
Base-Base interactions energy: -273.053
where: short stacking energy: -112.255
Base-Backbone interact. energy: -0.186
local terms energy: -119.619279
where:
bonds (distance) C4'-P energy: -22.536
bonds (distance) P-C4' energy: -23.020
flat angles C4'-P-C4' energy: -25.328
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -34.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -386.148338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.148338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.148338 (E_RNA)
where:
Base-Base interactions energy: -271.305
where: short stacking energy: -109.366
Base-Backbone interact. energy: -0.004
local terms energy: -114.839706
where:
bonds (distance) C4'-P energy: -18.941
bonds (distance) P-C4' energy: -21.256
flat angles C4'-P-C4' energy: -24.338
flat angles P-C4'-P energy: -18.062
tors. eta vs tors. theta energy: -32.243
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: 4
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -327.886796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.886796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.886796 (E_RNA)
where:
Base-Base interactions energy: -221.708
where: short stacking energy: -104.320
Base-Backbone interact. energy: -0.220
local terms energy: -105.958646
where:
bonds (distance) C4'-P energy: -22.917
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -22.717
flat angles P-C4'-P energy: -14.643
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: 2
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -281.440399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.440399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.440399 (E_RNA)
where:
Base-Base interactions energy: -185.623
where: short stacking energy: -82.710
Base-Backbone interact. energy: 0.281
local terms energy: -96.098118
where:
bonds (distance) C4'-P energy: -19.874
bonds (distance) P-C4' energy: -18.335
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -17.140
tors. eta vs tors. theta energy: -26.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -289.959532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.959532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.959532 (E_RNA)
where:
Base-Base interactions energy: -195.704
where: short stacking energy: -92.619
Base-Backbone interact. energy: -0.708
local terms energy: -93.547335
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -18.638
flat angles C4'-P-C4' energy: -20.295
flat angles P-C4'-P energy: -15.828
tors. eta vs tors. theta energy: -23.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -261.845505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.845505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.845505 (E_RNA)
where:
Base-Base interactions energy: -162.204
where: short stacking energy: -72.697
Base-Backbone interact. energy: -2.578
local terms energy: -97.063196
where:
bonds (distance) C4'-P energy: -19.482
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -21.106
flat angles P-C4'-P energy: -14.368
tors. eta vs tors. theta energy: -21.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -114.740759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.740759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.740759 (E_RNA)
where:
Base-Base interactions energy: -49.022
where: short stacking energy: -41.789
Base-Backbone interact. energy: -0.246
local terms energy: -65.472977
where:
bonds (distance) C4'-P energy: -21.286
bonds (distance) P-C4' energy: -19.092
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -4.742
tors. eta vs tors. theta energy: -3.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -125.568576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.568576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.568576 (E_RNA)
where:
Base-Base interactions energy: -65.277
where: short stacking energy: -56.119
Base-Backbone interact. energy: 0.573
local terms energy: -60.864082
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -20.439
flat angles C4'-P-C4' energy: -10.631
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -7.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -121.915291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.915291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.915291 (E_RNA)
where:
Base-Base interactions energy: -46.693
where: short stacking energy: -29.053
Base-Backbone interact. energy: -1.386
local terms energy: -73.835951
where:
bonds (distance) C4'-P energy: -17.492
bonds (distance) P-C4' energy: -26.186
flat angles C4'-P-C4' energy: -9.473
flat angles P-C4'-P energy: -17.936
tors. eta vs tors. theta energy: -2.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -136.847165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.847165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.847165 (E_RNA)
where:
Base-Base interactions energy: -73.832
where: short stacking energy: -32.705
Base-Backbone interact. energy: -0.344
local terms energy: -62.671485
where:
bonds (distance) C4'-P energy: -21.504
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: 0.582
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: 130
Temperature: 0.900000
Total energy: -396.127819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.127819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.127819 (E_RNA)
where:
Base-Base interactions energy: -278.019
where: short stacking energy: -114.821
Base-Backbone interact. energy: -0.087
local terms energy: -118.020985
where:
bonds (distance) C4'-P energy: -18.408
bonds (distance) P-C4' energy: -22.309
flat angles C4'-P-C4' energy: -25.042
flat angles P-C4'-P energy: -15.425
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: 2, replica: 5
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -386.884018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.884018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.884018 (E_RNA)
where:
Base-Base interactions energy: -271.620
where: short stacking energy: -110.999
Base-Backbone interact. energy: -0.002
local terms energy: -115.261318
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -20.873
flat angles C4'-P-C4' energy: -23.334
flat angles P-C4'-P energy: -19.312
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: 3, replica: 4
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -326.947658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.947658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.947658 (E_RNA)
where:
Base-Base interactions energy: -227.466
where: short stacking energy: -97.233
Base-Backbone interact. energy: -0.316
local terms energy: -99.165917
where:
bonds (distance) C4'-P energy: -22.398
bonds (distance) P-C4' energy: -20.286
flat angles C4'-P-C4' energy: -19.714
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -28.097
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: 2
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -308.735761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.735761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.735761 (E_RNA)
where:
Base-Base interactions energy: -208.583
where: short stacking energy: -99.040
Base-Backbone interact. energy: -0.055
local terms energy: -100.097569
where:
bonds (distance) C4'-P energy: -22.079
bonds (distance) P-C4' energy: -19.376
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -26.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -289.922727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.922727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.922727 (E_RNA)
where:
Base-Base interactions energy: -184.063
where: short stacking energy: -88.540
Base-Backbone interact. energy: -1.169
local terms energy: -104.691473
where:
bonds (distance) C4'-P energy: -24.063
bonds (distance) P-C4' energy: -22.111
flat angles C4'-P-C4' energy: -23.741
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -25.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -290.760379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.760379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.760379 (E_RNA)
where:
Base-Base interactions energy: -187.603
where: short stacking energy: -79.698
Base-Backbone interact. energy: -0.062
local terms energy: -103.094955
where:
bonds (distance) C4'-P energy: -19.612
bonds (distance) P-C4' energy: -20.995
flat angles C4'-P-C4' energy: -22.405
flat angles P-C4'-P energy: -16.060
tors. eta vs tors. theta energy: -24.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -138.178329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.178329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.178329 (E_RNA)
where:
Base-Base interactions energy: -60.036
where: short stacking energy: -43.400
Base-Backbone interact. energy: -0.521
local terms energy: -77.620850
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -21.536
flat angles C4'-P-C4' energy: -19.338
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -10.330
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: 130
Temperature: 1.250000
Total energy: -113.640451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.640451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.640451 (E_RNA)
where:
Base-Base interactions energy: -48.679
where: short stacking energy: -44.213
Base-Backbone interact. energy: -0.052
local terms energy: -64.908913
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -5.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -111.728837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.728837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.728837 (E_RNA)
where:
Base-Base interactions energy: -39.166
where: short stacking energy: -34.720
Base-Backbone interact. energy: -0.427
local terms energy: -72.135817
where:
bonds (distance) C4'-P energy: -19.206
bonds (distance) P-C4' energy: -20.069
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -4.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -108.119068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.119068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.119068 (E_RNA)
where:
Base-Base interactions energy: -53.472
where: short stacking energy: -42.778
Base-Backbone interact. energy: -0.674
local terms energy: -53.972568
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -18.306
flat angles C4'-P-C4' energy: -9.592
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: -2.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -392.501782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.501782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.501782 (E_RNA)
where:
Base-Base interactions energy: -268.155
where: short stacking energy: -115.354
Base-Backbone interact. energy: -0.089
local terms energy: -124.258362
where:
bonds (distance) C4'-P energy: -22.150
bonds (distance) P-C4' energy: -21.234
flat angles C4'-P-C4' energy: -27.518
flat angles P-C4'-P energy: -17.913
tors. eta vs tors. theta energy: -35.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -382.730959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.730959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.730959 (E_RNA)
where:
Base-Base interactions energy: -267.814
where: short stacking energy: -108.755
Base-Backbone interact. energy: -0.064
local terms energy: -114.853528
where:
bonds (distance) C4'-P energy: -20.031
bonds (distance) P-C4' energy: -22.631
flat angles C4'-P-C4' energy: -22.545
flat angles P-C4'-P energy: -14.050
tors. eta vs tors. theta energy: -35.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -325.979446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.979446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.979446 (E_RNA)
where:
Base-Base interactions energy: -220.517
where: short stacking energy: -93.425
Base-Backbone interact. energy: -0.917
local terms energy: -104.545592
where:
bonds (distance) C4'-P energy: -21.584
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -21.074
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -27.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -284.122264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.122264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.122264 (E_RNA)
where:
Base-Base interactions energy: -190.622
where: short stacking energy: -71.867
Base-Backbone interact. energy: -0.238
local terms energy: -93.262442
where:
bonds (distance) C4'-P energy: -18.221
bonds (distance) P-C4' energy: -19.477
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -17.066
tors. eta vs tors. theta energy: -20.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -281.854464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.854464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.854464 (E_RNA)
where:
Base-Base interactions energy: -179.810
where: short stacking energy: -88.015
Base-Backbone interact. energy: -0.236
local terms energy: -101.808660
where:
bonds (distance) C4'-P energy: -23.337
bonds (distance) P-C4' energy: -19.293
flat angles C4'-P-C4' energy: -23.040
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -25.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -257.416625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.416625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.416625 (E_RNA)
where:
Base-Base interactions energy: -173.796
where: short stacking energy: -64.111
Base-Backbone interact. energy: -0.138
local terms energy: -83.482037
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -20.456
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -19.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -110.559713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.559713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.559713 (E_RNA)
where:
Base-Base interactions energy: -44.230
where: short stacking energy: -42.948
Base-Backbone interact. energy: -0.252
local terms energy: -66.076888
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -11.594
flat angles C4'-P-C4' energy: -17.935
flat angles P-C4'-P energy: -14.285
tors. eta vs tors. theta energy: -3.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -129.777373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.777373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.777373 (E_RNA)
where:
Base-Base interactions energy: -68.986
where: short stacking energy: -43.027
Base-Backbone interact. energy: -0.238
local terms energy: -60.553176
where:
bonds (distance) C4'-P energy: -21.682
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -1.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -104.759058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.759058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.759058 (E_RNA)
where:
Base-Base interactions energy: -41.436
where: short stacking energy: -40.253
Base-Backbone interact. energy: -0.218
local terms energy: -63.105793
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -7.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -103.524594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.524594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.524594 (E_RNA)
where:
Base-Base interactions energy: -37.260
where: short stacking energy: -37.260
Base-Backbone interact. energy: -0.095
local terms energy: -66.169060
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -20.102
flat angles C4'-P-C4' energy: -19.847
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: -5.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -396.030791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.030791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.030791 (E_RNA)
where:
Base-Base interactions energy: -280.446
where: short stacking energy: -113.976
Base-Backbone interact. energy: -0.222
local terms energy: -115.362278
where:
bonds (distance) C4'-P energy: -19.618
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -23.279
flat angles P-C4'-P energy: -16.684
tors. eta vs tors. theta energy: -34.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -392.864532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.864532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.864532 (E_RNA)
where:
Base-Base interactions energy: -273.623
where: short stacking energy: -114.136
Base-Backbone interact. energy: -0.221
local terms energy: -119.021136
where:
bonds (distance) C4'-P energy: -23.086
bonds (distance) P-C4' energy: -24.356
flat angles C4'-P-C4' energy: -24.499
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -35.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -331.205217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.205217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.205217 (E_RNA)
where:
Base-Base interactions energy: -226.951
where: short stacking energy: -98.060
Base-Backbone interact. energy: -0.019
local terms energy: -104.234805
where:
bonds (distance) C4'-P energy: -18.781
bonds (distance) P-C4' energy: -19.873
flat angles C4'-P-C4' energy: -24.518
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -29.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -282.287928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.287928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.287928 (E_RNA)
where:
Base-Base interactions energy: -187.018
where: short stacking energy: -84.012
Base-Backbone interact. energy: -0.184
local terms energy: -95.085129
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -23.561
flat angles C4'-P-C4' energy: -20.711
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -18.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -249.752255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.752255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.752255 (E_RNA)
where:
Base-Base interactions energy: -153.270
where: short stacking energy: -75.459
Base-Backbone interact. energy: -0.318
local terms energy: -96.163908
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -26.486
flat angles C4'-P-C4' energy: -19.143
flat angles P-C4'-P energy: -15.134
tors. eta vs tors. theta energy: -20.004
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: 132
Temperature: 1.150000
Total energy: -237.708959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.708959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.708959 (E_RNA)
where:
Base-Base interactions energy: -145.060
where: short stacking energy: -68.606
Base-Backbone interact. energy: -0.865
local terms energy: -91.783999
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -22.098
flat angles C4'-P-C4' energy: -21.324
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -17.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -128.293894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.293894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.293894 (E_RNA)
where:
Base-Base interactions energy: -59.285
where: short stacking energy: -56.845
Base-Backbone interact. energy: -0.160
local terms energy: -68.849466
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -10.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -106.699278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.699278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.699278 (E_RNA)
where:
Base-Base interactions energy: -32.810
where: short stacking energy: -31.685
Base-Backbone interact. energy: -0.233
local terms energy: -73.656210
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -25.295
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -3.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -108.546891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.546891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.546891 (E_RNA)
where:
Base-Base interactions energy: -46.941
where: short stacking energy: -45.809
Base-Backbone interact. energy: -0.358
local terms energy: -61.247866
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -19.719
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -0.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -99.341591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.341591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.341591 (E_RNA)
where:
Base-Base interactions energy: -41.547
where: short stacking energy: -34.911
Base-Backbone interact. energy: 0.000
local terms energy: -57.794237
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -17.637
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -13.179
tors. eta vs tors. theta energy: 0.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -394.873927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.873927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.873927 (E_RNA)
where:
Base-Base interactions energy: -276.933
where: short stacking energy: -112.303
Base-Backbone interact. energy: -0.003
local terms energy: -117.937883
where:
bonds (distance) C4'-P energy: -18.388
bonds (distance) P-C4' energy: -25.010
flat angles C4'-P-C4' energy: -21.283
flat angles P-C4'-P energy: -19.926
tors. eta vs tors. theta energy: -33.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -347.521845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.521845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.521845 (E_RNA)
where:
Base-Base interactions energy: -234.005
where: short stacking energy: -105.807
Base-Backbone interact. energy: -0.003
local terms energy: -113.514138
where:
bonds (distance) C4'-P energy: -19.505
bonds (distance) P-C4' energy: -22.240
flat angles C4'-P-C4' energy: -22.476
flat angles P-C4'-P energy: -17.160
tors. eta vs tors. theta energy: -32.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -381.580996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.580996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.580996 (E_RNA)
where:
Base-Base interactions energy: -275.204
where: short stacking energy: -113.545
Base-Backbone interact. energy: -0.037
local terms energy: -106.339387
where:
bonds (distance) C4'-P energy: -18.637
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -20.368
flat angles P-C4'-P energy: -13.971
tors. eta vs tors. theta energy: -34.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -288.670301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.670301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.670301 (E_RNA)
where:
Base-Base interactions energy: -201.552
where: short stacking energy: -79.502
Base-Backbone interact. energy: -0.166
local terms energy: -86.952258
where:
bonds (distance) C4'-P energy: -22.168
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -21.471
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -15.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -242.185367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.185367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.185367 (E_RNA)
where:
Base-Base interactions energy: -147.909
where: short stacking energy: -77.463
Base-Backbone interact. energy: 0.352
local terms energy: -94.628521
where:
bonds (distance) C4'-P energy: -17.476
bonds (distance) P-C4' energy: -22.053
flat angles C4'-P-C4' energy: -20.945
flat angles P-C4'-P energy: -14.200
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: 3
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -251.764809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.764809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.764809 (E_RNA)
where:
Base-Base interactions energy: -149.567
where: short stacking energy: -81.027
Base-Backbone interact. energy: -0.615
local terms energy: -101.582501
where:
bonds (distance) C4'-P energy: -22.548
bonds (distance) P-C4' energy: -20.752
flat angles C4'-P-C4' energy: -20.360
flat angles P-C4'-P energy: -16.074
tors. eta vs tors. theta energy: -21.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -133.923148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.923148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.923148 (E_RNA)
where:
Base-Base interactions energy: -53.487
where: short stacking energy: -37.088
Base-Backbone interact. energy: 0.053
local terms energy: -80.488759
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -23.113
flat angles C4'-P-C4' energy: -20.165
flat angles P-C4'-P energy: -17.379
tors. eta vs tors. theta energy: -3.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -141.568224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.568224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.568224 (E_RNA)
where:
Base-Base interactions energy: -76.076
where: short stacking energy: -40.234
Base-Backbone interact. energy: -0.361
local terms energy: -65.131811
where:
bonds (distance) C4'-P energy: -19.053
bonds (distance) P-C4' energy: -19.442
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -3.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -102.293787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.293787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.293787 (E_RNA)
where:
Base-Base interactions energy: -52.408
where: short stacking energy: -17.655
Base-Backbone interact. energy: -0.598
local terms energy: -49.288660
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -18.181
flat angles P-C4'-P energy: -13.913
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: 10, replica: 10
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -105.738403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.738403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.738403 (E_RNA)
where:
Base-Base interactions energy: -42.498
where: short stacking energy: -33.134
Base-Backbone interact. energy: 0.719
local terms energy: -63.958945
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -19.631
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -6.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -390.126624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.126624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.126624 (E_RNA)
where:
Base-Base interactions energy: -274.849
where: short stacking energy: -111.256
Base-Backbone interact. energy: -0.414
local terms energy: -114.863875
where:
bonds (distance) C4'-P energy: -18.833
bonds (distance) P-C4' energy: -21.569
flat angles C4'-P-C4' energy: -23.973
flat angles P-C4'-P energy: -16.845
tors. eta vs tors. theta energy: -33.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -349.138962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.138962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.138962 (E_RNA)
where:
Base-Base interactions energy: -242.500
where: short stacking energy: -90.210
Base-Backbone interact. energy: -0.040
local terms energy: -106.599499
where:
bonds (distance) C4'-P energy: -20.614
bonds (distance) P-C4' energy: -21.586
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -18.205
tors. eta vs tors. theta energy: -28.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -379.385026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.385026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.385026 (E_RNA)
where:
Base-Base interactions energy: -267.302
where: short stacking energy: -107.916
Base-Backbone interact. energy: -0.025
local terms energy: -112.058006
where:
bonds (distance) C4'-P energy: -23.917
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -20.747
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: -32.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -293.939121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.939121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.939121 (E_RNA)
where:
Base-Base interactions energy: -199.498
where: short stacking energy: -80.988
Base-Backbone interact. energy: -0.161
local terms energy: -94.280241
where:
bonds (distance) C4'-P energy: -21.025
bonds (distance) P-C4' energy: -24.110
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -14.425
tors. eta vs tors. theta energy: -18.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -307.300791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.300791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.300791 (E_RNA)
where:
Base-Base interactions energy: -212.934
where: short stacking energy: -84.212
Base-Backbone interact. energy: 0.409
local terms energy: -94.775668
where:
bonds (distance) C4'-P energy: -17.669
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -13.791
tors. eta vs tors. theta energy: -22.412
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: 6, replica: 8
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -208.959483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.959483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.959483 (E_RNA)
where:
Base-Base interactions energy: -125.636
where: short stacking energy: -49.979
Base-Backbone interact. energy: 0.770
local terms energy: -84.093640
where:
bonds (distance) C4'-P energy: -24.595
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -19.648
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -10.627
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: 6
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -174.977472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.977472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.977472 (E_RNA)
where:
Base-Base interactions energy: -106.038
where: short stacking energy: -53.616
Base-Backbone interact. energy: -0.108
local terms energy: -68.831107
where:
bonds (distance) C4'-P energy: -18.652
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -10.754
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: 7
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -164.811964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.811964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.811964 (E_RNA)
where:
Base-Base interactions energy: -90.556
where: short stacking energy: -49.432
Base-Backbone interact. energy: 0.150
local terms energy: -74.405789
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -20.477
flat angles C4'-P-C4' energy: -18.578
flat angles P-C4'-P energy: -15.439
tors. eta vs tors. theta energy: -8.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -107.911374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.911374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.911374 (E_RNA)
where:
Base-Base interactions energy: -35.950
where: short stacking energy: -35.512
Base-Backbone interact. energy: -0.105
local terms energy: -71.856450
where:
bonds (distance) C4'-P energy: -18.676
bonds (distance) P-C4' energy: -21.653
flat angles C4'-P-C4' energy: -19.822
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -0.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -104.579742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.579742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.579742 (E_RNA)
where:
Base-Base interactions energy: -45.971
where: short stacking energy: -45.971
Base-Backbone interact. energy: -0.043
local terms energy: -58.566023
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -19.704
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -4.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -393.420235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.420235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.420235 (E_RNA)
where:
Base-Base interactions energy: -278.884
where: short stacking energy: -113.144
Base-Backbone interact. energy: -0.078
local terms energy: -114.457608
where:
bonds (distance) C4'-P energy: -19.463
bonds (distance) P-C4' energy: -20.367
flat angles C4'-P-C4' energy: -24.113
flat angles P-C4'-P energy: -15.251
tors. eta vs tors. theta energy: -35.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -385.331168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.331168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.331168 (E_RNA)
where:
Base-Base interactions energy: -272.039
where: short stacking energy: -106.371
Base-Backbone interact. energy: -0.006
local terms energy: -113.286896
where:
bonds (distance) C4'-P energy: -20.312
bonds (distance) P-C4' energy: -20.599
flat angles C4'-P-C4' energy: -26.190
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -32.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -331.109290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.109290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.109290 (E_RNA)
where:
Base-Base interactions energy: -228.703
where: short stacking energy: -84.340
Base-Backbone interact. energy: -0.987
local terms energy: -101.419234
where:
bonds (distance) C4'-P energy: -21.763
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -19.055
flat angles P-C4'-P energy: -12.912
tors. eta vs tors. theta energy: -26.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -291.383492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.383492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.383492 (E_RNA)
where:
Base-Base interactions energy: -205.713
where: short stacking energy: -82.311
Base-Backbone interact. energy: -0.170
local terms energy: -85.500736
where:
bonds (distance) C4'-P energy: -20.341
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -17.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -303.930903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.930903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.930903 (E_RNA)
where:
Base-Base interactions energy: -211.831
where: short stacking energy: -90.863
Base-Backbone interact. energy: -0.322
local terms energy: -91.777093
where:
bonds (distance) C4'-P energy: -17.974
bonds (distance) P-C4' energy: -21.202
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -13.455
tors. eta vs tors. theta energy: -21.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -236.068455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.068455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.068455 (E_RNA)
where:
Base-Base interactions energy: -142.355
where: short stacking energy: -77.386
Base-Backbone interact. energy: 0.223
local terms energy: -93.936754
where:
bonds (distance) C4'-P energy: -18.474
bonds (distance) P-C4' energy: -25.488
flat angles C4'-P-C4' energy: -21.640
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -16.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -144.529052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.529052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.529052 (E_RNA)
where:
Base-Base interactions energy: -69.234
where: short stacking energy: -43.530
Base-Backbone interact. energy: -0.236
local terms energy: -75.059659
where:
bonds (distance) C4'-P energy: -21.422
bonds (distance) P-C4' energy: -23.969
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -3.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -127.458338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.458338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.458338 (E_RNA)
where:
Base-Base interactions energy: -49.513
where: short stacking energy: -33.754
Base-Backbone interact. energy: -0.158
local terms energy: -77.787346
where:
bonds (distance) C4'-P energy: -22.720
bonds (distance) P-C4' energy: -19.145
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -4.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -146.921499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.921499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.921499 (E_RNA)
where:
Base-Base interactions energy: -62.756
where: short stacking energy: -40.386
Base-Backbone interact. energy: -0.164
local terms energy: -84.001798
where:
bonds (distance) C4'-P energy: -22.158
bonds (distance) P-C4' energy: -23.104
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -11.104
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: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -106.914922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.914922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.914922 (E_RNA)
where:
Base-Base interactions energy: -39.759
where: short stacking energy: -38.919
Base-Backbone interact. energy: -0.581
local terms energy: -66.575316
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -23.442
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: 0.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -388.222838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.222838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.222838 (E_RNA)
where:
Base-Base interactions energy: -271.746
where: short stacking energy: -106.408
Base-Backbone interact. energy: -0.030
local terms energy: -116.446881
where:
bonds (distance) C4'-P energy: -20.499
bonds (distance) P-C4' energy: -19.962
flat angles C4'-P-C4' energy: -24.000
flat angles P-C4'-P energy: -16.676
tors. eta vs tors. theta energy: -35.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -391.422052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.422052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.422052 (E_RNA)
where:
Base-Base interactions energy: -276.187
where: short stacking energy: -110.422
Base-Backbone interact. energy: -0.001
local terms energy: -115.234034
where:
bonds (distance) C4'-P energy: -20.240
bonds (distance) P-C4' energy: -21.706
flat angles C4'-P-C4' energy: -24.223
flat angles P-C4'-P energy: -14.600
tors. eta vs tors. theta energy: -34.465
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: 4
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -328.556316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.556316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.556316 (E_RNA)
where:
Base-Base interactions energy: -218.712
where: short stacking energy: -94.687
Base-Backbone interact. energy: -0.784
local terms energy: -109.059484
where:
bonds (distance) C4'-P energy: -21.436
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -20.470
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: -32.934
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: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -270.476357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.476357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.476357 (E_RNA)
where:
Base-Base interactions energy: -175.363
where: short stacking energy: -63.831
Base-Backbone interact. energy: 0.806
local terms energy: -95.918550
where:
bonds (distance) C4'-P energy: -23.406
bonds (distance) P-C4' energy: -22.247
flat angles C4'-P-C4' energy: -19.866
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -16.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -295.340693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.340693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.340693 (E_RNA)
where:
Base-Base interactions energy: -211.645
where: short stacking energy: -89.565
Base-Backbone interact. energy: -0.176
local terms energy: -83.519898
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -22.119
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -20.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -229.464605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.464605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.464605 (E_RNA)
where:
Base-Base interactions energy: -141.687
where: short stacking energy: -72.282
Base-Backbone interact. energy: 1.318
local terms energy: -89.095473
where:
bonds (distance) C4'-P energy: -25.275
bonds (distance) P-C4' energy: -18.296
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -16.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -110.603240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.603240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.603240 (E_RNA)
where:
Base-Base interactions energy: -56.117
where: short stacking energy: -38.117
Base-Backbone interact. energy: -0.550
local terms energy: -53.936885
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -3.608
tors. eta vs tors. theta energy: -1.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -131.145605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.145605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.145605 (E_RNA)
where:
Base-Base interactions energy: -59.783
where: short stacking energy: -38.223
Base-Backbone interact. energy: 0.482
local terms energy: -71.844805
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -20.868
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -7.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -100.393745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.393745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.393745 (E_RNA)
where:
Base-Base interactions energy: -34.532
where: short stacking energy: -30.493
Base-Backbone interact. energy: 0.008
local terms energy: -65.869659
where:
bonds (distance) C4'-P energy: -21.161
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -20.273
flat angles P-C4'-P energy: -9.115
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: 10, replica: 1
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -109.137871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.137871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.137871 (E_RNA)
where:
Base-Base interactions energy: -40.145
where: short stacking energy: -34.398
Base-Backbone interact. energy: -0.354
local terms energy: -68.639099
where:
bonds (distance) C4'-P energy: -18.562
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -16.973
tors. eta vs tors. theta energy: -1.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -393.225320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.225320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.225320 (E_RNA)
where:
Base-Base interactions energy: -273.201
where: short stacking energy: -113.744
Base-Backbone interact. energy: -0.002
local terms energy: -120.022127
where:
bonds (distance) C4'-P energy: -21.310
bonds (distance) P-C4' energy: -23.400
flat angles C4'-P-C4' energy: -23.818
flat angles P-C4'-P energy: -18.212
tors. eta vs tors. theta energy: -33.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -389.413260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.413260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.413260 (E_RNA)
where:
Base-Base interactions energy: -268.826
where: short stacking energy: -105.937
Base-Backbone interact. energy: -0.002
local terms energy: -120.585128
where:
bonds (distance) C4'-P energy: -19.572
bonds (distance) P-C4' energy: -24.208
flat angles C4'-P-C4' energy: -25.516
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -34.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -323.269695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.269695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.269695 (E_RNA)
where:
Base-Base interactions energy: -213.702
where: short stacking energy: -98.970
Base-Backbone interact. energy: -0.120
local terms energy: -109.446976
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -20.914
flat angles C4'-P-C4' energy: -22.536
flat angles P-C4'-P energy: -14.460
tors. eta vs tors. theta energy: -31.377
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: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -296.570910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.570910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.570910 (E_RNA)
where:
Base-Base interactions energy: -211.610
where: short stacking energy: -76.279
Base-Backbone interact. energy: -0.732
local terms energy: -84.229278
where:
bonds (distance) C4'-P energy: -18.259
bonds (distance) P-C4' energy: -21.871
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -21.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -269.624811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.624811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.624811 (E_RNA)
where:
Base-Base interactions energy: -185.739
where: short stacking energy: -65.568
Base-Backbone interact. energy: -0.355
local terms energy: -83.530119
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -20.452
flat angles C4'-P-C4' energy: -20.607
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -16.280
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: 6, replica: 8
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -228.915502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.915502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.915502 (E_RNA)
where:
Base-Base interactions energy: -137.858
where: short stacking energy: -75.277
Base-Backbone interact. energy: -0.106
local terms energy: -90.951735
where:
bonds (distance) C4'-P energy: -19.407
bonds (distance) P-C4' energy: -21.158
flat angles C4'-P-C4' energy: -19.201
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -19.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -173.646086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.646086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.646086 (E_RNA)
where:
Base-Base interactions energy: -112.469
where: short stacking energy: -57.728
Base-Backbone interact. energy: 0.278
local terms energy: -61.454840
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -8.557
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: -11.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -113.496843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.496843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.496843 (E_RNA)
where:
Base-Base interactions energy: -40.369
where: short stacking energy: -37.664
Base-Backbone interact. energy: -1.488
local terms energy: -71.640625
where:
bonds (distance) C4'-P energy: -18.189
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -23.594
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -3.350
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: 7
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -126.167212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.167212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.167212 (E_RNA)
where:
Base-Base interactions energy: -54.591
where: short stacking energy: -33.168
Base-Backbone interact. energy: -0.273
local terms energy: -71.303369
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -18.907
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -6.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -100.803680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.803680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.803680 (E_RNA)
where:
Base-Base interactions energy: -46.256
where: short stacking energy: -32.166
Base-Backbone interact. energy: 0.750
local terms energy: -55.298162
where:
bonds (distance) C4'-P energy: -17.964
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -8.418
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: 0.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -392.784972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.784972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.784972 (E_RNA)
where:
Base-Base interactions energy: -272.197
where: short stacking energy: -106.858
Base-Backbone interact. energy: -0.003
local terms energy: -120.584860
where:
bonds (distance) C4'-P energy: -22.486
bonds (distance) P-C4' energy: -24.734
flat angles C4'-P-C4' energy: -23.795
flat angles P-C4'-P energy: -14.849
tors. eta vs tors. theta energy: -34.721
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: 9
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -384.646965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.646965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.646965 (E_RNA)
where:
Base-Base interactions energy: -269.400
where: short stacking energy: -109.542
Base-Backbone interact. energy: -0.010
local terms energy: -115.237624
where:
bonds (distance) C4'-P energy: -23.354
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -22.015
flat angles P-C4'-P energy: -16.031
tors. eta vs tors. theta energy: -32.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -317.966090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.966090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.966090 (E_RNA)
where:
Base-Base interactions energy: -207.400
where: short stacking energy: -90.961
Base-Backbone interact. energy: -0.009
local terms energy: -110.557491
where:
bonds (distance) C4'-P energy: -19.070
bonds (distance) P-C4' energy: -18.462
flat angles C4'-P-C4' energy: -22.271
flat angles P-C4'-P energy: -19.701
tors. eta vs tors. theta energy: -31.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -304.351639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.351639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.351639 (E_RNA)
where:
Base-Base interactions energy: -214.760
where: short stacking energy: -92.073
Base-Backbone interact. energy: -0.205
local terms energy: -89.387295
where:
bonds (distance) C4'-P energy: -18.668
bonds (distance) P-C4' energy: -20.516
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -20.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -298.062667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.062667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.062667 (E_RNA)
where:
Base-Base interactions energy: -195.721
where: short stacking energy: -77.098
Base-Backbone interact. energy: -0.472
local terms energy: -101.869621
where:
bonds (distance) C4'-P energy: -19.658
bonds (distance) P-C4' energy: -21.807
flat angles C4'-P-C4' energy: -21.932
flat angles P-C4'-P energy: -17.594
tors. eta vs tors. theta energy: -20.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -227.917712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.917712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.917712 (E_RNA)
where:
Base-Base interactions energy: -140.664
where: short stacking energy: -77.792
Base-Backbone interact. energy: -0.037
local terms energy: -87.216996
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -21.372
flat angles C4'-P-C4' energy: -23.245
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -20.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -118.773625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.773625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.773625 (E_RNA)
where:
Base-Base interactions energy: -42.815
where: short stacking energy: -42.028
Base-Backbone interact. energy: 3.433
local terms energy: -79.390992
where:
bonds (distance) C4'-P energy: -21.418
bonds (distance) P-C4' energy: -20.550
flat angles C4'-P-C4' energy: -20.932
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -4.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -140.836899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.836899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.836899 (E_RNA)
where:
Base-Base interactions energy: -71.291
where: short stacking energy: -43.043
Base-Backbone interact. energy: 0.754
local terms energy: -70.300818
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -20.311
flat angles C4'-P-C4' energy: -18.035
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -9.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -116.461175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.461175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.461175 (E_RNA)
where:
Base-Base interactions energy: -47.349
where: short stacking energy: -20.115
Base-Backbone interact. energy: -0.683
local terms energy: -68.429873
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -21.813
flat angles C4'-P-C4' energy: -20.291
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -3.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -104.083804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.083804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.083804 (E_RNA)
where:
Base-Base interactions energy: -31.910
where: short stacking energy: -31.910
Base-Backbone interact. energy: -0.091
local terms energy: -72.082641
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -23.645
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -14.743
tors. eta vs tors. theta energy: 1.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -393.502581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.502581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.502581 (E_RNA)
where:
Base-Base interactions energy: -272.944
where: short stacking energy: -112.370
Base-Backbone interact. energy: -0.001
local terms energy: -120.558035
where:
bonds (distance) C4'-P energy: -19.534
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -26.916
flat angles P-C4'-P energy: -16.765
tors. eta vs tors. theta energy: -35.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -385.098136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.098136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.098136 (E_RNA)
where:
Base-Base interactions energy: -279.567
where: short stacking energy: -114.419
Base-Backbone interact. energy: -0.015
local terms energy: -105.516445
where:
bonds (distance) C4'-P energy: -21.026
bonds (distance) P-C4' energy: -19.388
flat angles C4'-P-C4' energy: -24.267
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -32.702
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: 4
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -334.667363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.667363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.667363 (E_RNA)
where:
Base-Base interactions energy: -227.779
where: short stacking energy: -100.013
Base-Backbone interact. energy: -0.119
local terms energy: -106.768935
where:
bonds (distance) C4'-P energy: -22.329
bonds (distance) P-C4' energy: -22.004
flat angles C4'-P-C4' energy: -21.528
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -29.057
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: 2
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -308.920072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.920072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.920072 (E_RNA)
where:
Base-Base interactions energy: -209.931
where: short stacking energy: -93.241
Base-Backbone interact. energy: -0.833
local terms energy: -98.156097
where:
bonds (distance) C4'-P energy: -21.914
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -21.530
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: -28.121
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: 139
Temperature: 1.100000
Total energy: -295.158648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.158648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.158648 (E_RNA)
where:
Base-Base interactions energy: -205.699
where: short stacking energy: -87.319
Base-Backbone interact. energy: -0.571
local terms energy: -88.888342
where:
bonds (distance) C4'-P energy: -18.963
bonds (distance) P-C4' energy: -18.948
flat angles C4'-P-C4' energy: -18.888
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -22.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -235.981340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.981340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.981340 (E_RNA)
where:
Base-Base interactions energy: -143.628
where: short stacking energy: -70.049
Base-Backbone interact. energy: -0.004
local terms energy: -92.349571
where:
bonds (distance) C4'-P energy: -21.833
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -19.333
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -21.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -129.344708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.344708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.344708 (E_RNA)
where:
Base-Base interactions energy: -64.208
where: short stacking energy: -52.002
Base-Backbone interact. energy: 0.255
local terms energy: -65.391084
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -4.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -131.500220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.500220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.500220 (E_RNA)
where:
Base-Base interactions energy: -63.100
where: short stacking energy: -40.594
Base-Backbone interact. energy: -0.290
local terms energy: -68.110439
where:
bonds (distance) C4'-P energy: -24.907
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -5.742
tors. eta vs tors. theta energy: -1.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -104.942959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.942959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.942959 (E_RNA)
where:
Base-Base interactions energy: -45.424
where: short stacking energy: -35.210
Base-Backbone interact. energy: -0.883
local terms energy: -58.635273
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -0.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -94.924006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.924006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.924006 (E_RNA)
where:
Base-Base interactions energy: -33.494
where: short stacking energy: -26.597
Base-Backbone interact. energy: 0.666
local terms energy: -62.096307
where:
bonds (distance) C4'-P energy: -15.624
bonds (distance) P-C4' energy: -22.787
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: 2.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -396.973259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.973259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.973259 (E_RNA)
where:
Base-Base interactions energy: -273.874
where: short stacking energy: -111.187
Base-Backbone interact. energy: -0.280
local terms energy: -122.820203
where:
bonds (distance) C4'-P energy: -21.629
bonds (distance) P-C4' energy: -24.188
flat angles C4'-P-C4' energy: -23.611
flat angles P-C4'-P energy: -17.683
tors. eta vs tors. theta energy: -35.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -390.502554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.502554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.502554 (E_RNA)
where:
Base-Base interactions energy: -271.576
where: short stacking energy: -109.795
Base-Backbone interact. energy: -0.001
local terms energy: -118.925343
where:
bonds (distance) C4'-P energy: -26.212
bonds (distance) P-C4' energy: -20.271
flat angles C4'-P-C4' energy: -24.980
flat angles P-C4'-P energy: -13.693
tors. eta vs tors. theta energy: -33.769
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: 3, replica: 4
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -326.975062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.975062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.975062 (E_RNA)
where:
Base-Base interactions energy: -223.920
where: short stacking energy: -103.789
Base-Backbone interact. energy: -0.379
local terms energy: -102.675984
where:
bonds (distance) C4'-P energy: -20.184
bonds (distance) P-C4' energy: -17.490
flat angles C4'-P-C4' energy: -19.862
flat angles P-C4'-P energy: -14.134
tors. eta vs tors. theta energy: -31.007
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: 2
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -310.103134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.103134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.103134 (E_RNA)
where:
Base-Base interactions energy: -209.795
where: short stacking energy: -96.202
Base-Backbone interact. energy: -0.355
local terms energy: -99.953431
where:
bonds (distance) C4'-P energy: -18.876
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -20.639
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -27.852
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: 3
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -304.325962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.325962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.325962 (E_RNA)
where:
Base-Base interactions energy: -195.816
where: short stacking energy: -75.798
Base-Backbone interact. energy: -0.165
local terms energy: -108.345302
where:
bonds (distance) C4'-P energy: -21.947
bonds (distance) P-C4' energy: -26.006
flat angles C4'-P-C4' energy: -24.701
flat angles P-C4'-P energy: -16.486
tors. eta vs tors. theta energy: -19.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -226.199921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.199921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.199921 (E_RNA)
where:
Base-Base interactions energy: -130.785
where: short stacking energy: -72.702
Base-Backbone interact. energy: -0.037
local terms energy: -95.377651
where:
bonds (distance) C4'-P energy: -19.648
bonds (distance) P-C4' energy: -23.697
flat angles C4'-P-C4' energy: -21.427
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -19.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -157.897198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.897198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.897198 (E_RNA)
where:
Base-Base interactions energy: -81.870
where: short stacking energy: -41.037
Base-Backbone interact. energy: -0.111
local terms energy: -75.916547
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -24.461
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -13.178
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: 8, replica: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -107.575767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.575767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.575767 (E_RNA)
where:
Base-Base interactions energy: -42.292
where: short stacking energy: -32.106
Base-Backbone interact. energy: -0.866
local terms energy: -64.418025
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -2.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -114.906331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.906331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.906331 (E_RNA)
where:
Base-Base interactions energy: -41.351
where: short stacking energy: -38.801
Base-Backbone interact. energy: -0.113
local terms energy: -73.442625
where:
bonds (distance) C4'-P energy: -22.052
bonds (distance) P-C4' energy: -20.012
flat angles C4'-P-C4' energy: -22.324
flat angles P-C4'-P energy: -5.076
tors. eta vs tors. theta energy: -3.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -107.707661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.707661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.707661 (E_RNA)
where:
Base-Base interactions energy: -40.892
where: short stacking energy: -26.619
Base-Backbone interact. energy: -0.055
local terms energy: -66.761261
where:
bonds (distance) C4'-P energy: -21.190
bonds (distance) P-C4' energy: -19.226
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -2.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -397.019074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.019074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.019074 (E_RNA)
where:
Base-Base interactions energy: -282.129
where: short stacking energy: -116.719
Base-Backbone interact. energy: -0.094
local terms energy: -114.796106
where:
bonds (distance) C4'-P energy: -17.279
bonds (distance) P-C4' energy: -21.304
flat angles C4'-P-C4' energy: -23.763
flat angles P-C4'-P energy: -16.222
tors. eta vs tors. theta energy: -36.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -392.658184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.658184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.658184 (E_RNA)
where:
Base-Base interactions energy: -272.668
where: short stacking energy: -111.130
Base-Backbone interact. energy: -0.004
local terms energy: -119.986035
where:
bonds (distance) C4'-P energy: -19.866
bonds (distance) P-C4' energy: -23.228
flat angles C4'-P-C4' energy: -23.043
flat angles P-C4'-P energy: -19.799
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: 3, replica: 4
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -327.472394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.472394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.472394 (E_RNA)
where:
Base-Base interactions energy: -228.166
where: short stacking energy: -97.161
Base-Backbone interact. energy: -0.006
local terms energy: -99.300918
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -21.381
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: -27.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -325.105710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.105710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.105710 (E_RNA)
where:
Base-Base interactions energy: -222.716
where: short stacking energy: -87.013
Base-Backbone interact. energy: -0.483
local terms energy: -101.906807
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -23.418
flat angles C4'-P-C4' energy: -21.204
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -23.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -303.144823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.144823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.144823 (E_RNA)
where:
Base-Base interactions energy: -202.990
where: short stacking energy: -87.472
Base-Backbone interact. energy: -0.778
local terms energy: -99.376765
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -17.582
flat angles C4'-P-C4' energy: -23.066
flat angles P-C4'-P energy: -15.329
tors. eta vs tors. theta energy: -24.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -229.418561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.418561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.418561 (E_RNA)
where:
Base-Base interactions energy: -145.484
where: short stacking energy: -67.260
Base-Backbone interact. energy: -0.635
local terms energy: -83.299070
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -19.197
flat angles P-C4'-P energy: -14.551
tors. eta vs tors. theta energy: -11.888
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: 7
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -172.986909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.986909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.986909 (E_RNA)
where:
Base-Base interactions energy: -96.914
where: short stacking energy: -45.087
Base-Backbone interact. energy: -0.539
local terms energy: -75.533774
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -21.859
flat angles C4'-P-C4' energy: -21.161
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -7.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -109.896472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.896472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.896472 (E_RNA)
where:
Base-Base interactions energy: -43.185
where: short stacking energy: -43.185
Base-Backbone interact. energy: -0.065
local terms energy: -66.645832
where:
bonds (distance) C4'-P energy: -20.308
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -19.480
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -1.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -114.213948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.213948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.213948 (E_RNA)
where:
Base-Base interactions energy: -43.001
where: short stacking energy: -36.354
Base-Backbone interact. energy: -1.283
local terms energy: -69.929977
where:
bonds (distance) C4'-P energy: -22.374
bonds (distance) P-C4' energy: -20.012
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -0.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -103.323590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.323590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.323590 (E_RNA)
where:
Base-Base interactions energy: -46.777
where: short stacking energy: -41.716
Base-Backbone interact. energy: -0.110
local terms energy: -56.436017
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -8.305
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -5.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -389.859519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.859519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.859519 (E_RNA)
where:
Base-Base interactions energy: -275.202
where: short stacking energy: -112.180
Base-Backbone interact. energy: -0.090
local terms energy: -114.567715
where:
bonds (distance) C4'-P energy: -22.307
bonds (distance) P-C4' energy: -17.367
flat angles C4'-P-C4' energy: -26.227
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: -33.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -384.963898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.963898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.963898 (E_RNA)
where:
Base-Base interactions energy: -272.746
where: short stacking energy: -107.111
Base-Backbone interact. energy: -0.001
local terms energy: -112.216568
where:
bonds (distance) C4'-P energy: -20.155
bonds (distance) P-C4' energy: -22.098
flat angles C4'-P-C4' energy: -18.781
flat angles P-C4'-P energy: -17.488
tors. eta vs tors. theta energy: -33.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -314.683453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.683453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.683453 (E_RNA)
where:
Base-Base interactions energy: -208.544
where: short stacking energy: -97.818
Base-Backbone interact. energy: -0.124
local terms energy: -106.015409
where:
bonds (distance) C4'-P energy: -23.744
bonds (distance) P-C4' energy: -20.809
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -15.143
tors. eta vs tors. theta energy: -29.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -310.196540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.196540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.196540 (E_RNA)
where:
Base-Base interactions energy: -213.374
where: short stacking energy: -91.660
Base-Backbone interact. energy: -0.369
local terms energy: -96.453681
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -20.991
flat angles C4'-P-C4' energy: -21.024
flat angles P-C4'-P energy: -13.801
tors. eta vs tors. theta energy: -24.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -290.269297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.269297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.269297 (E_RNA)
where:
Base-Base interactions energy: -199.616
where: short stacking energy: -81.716
Base-Backbone interact. energy: -0.395
local terms energy: -90.257673
where:
bonds (distance) C4'-P energy: -18.523
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -20.171
flat angles P-C4'-P energy: -15.092
tors. eta vs tors. theta energy: -21.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -226.700215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.700215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.700215 (E_RNA)
where:
Base-Base interactions energy: -139.672
where: short stacking energy: -70.803
Base-Backbone interact. energy: -0.113
local terms energy: -86.915599
where:
bonds (distance) C4'-P energy: -19.302
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -22.998
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -15.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -130.218057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.218057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.218057 (E_RNA)
where:
Base-Base interactions energy: -55.013
where: short stacking energy: -53.699
Base-Backbone interact. energy: -0.181
local terms energy: -75.024472
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -11.209
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: 7
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -131.607457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.607457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.607457 (E_RNA)
where:
Base-Base interactions energy: -55.414
where: short stacking energy: -42.383
Base-Backbone interact. energy: 1.713
local terms energy: -77.906921
where:
bonds (distance) C4'-P energy: -19.729
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -20.170
flat angles P-C4'-P energy: -15.536
tors. eta vs tors. theta energy: -2.596
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: 6
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -119.857617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.857617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.857617 (E_RNA)
where:
Base-Base interactions energy: -56.814
where: short stacking energy: -29.318
Base-Backbone interact. energy: -0.313
local terms energy: -62.731035
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -21.437
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -1.492
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: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -106.488939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.488939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.488939 (E_RNA)
where:
Base-Base interactions energy: -44.261
where: short stacking energy: -44.261
Base-Backbone interact. energy: 0.256
local terms energy: -62.483430
where:
bonds (distance) C4'-P energy: -17.973
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -1.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -391.851133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.851133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.851133 (E_RNA)
where:
Base-Base interactions energy: -284.726
where: short stacking energy: -116.682
Base-Backbone interact. energy: -0.008
local terms energy: -107.117526
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -22.118
flat angles C4'-P-C4' energy: -20.300
flat angles P-C4'-P energy: -13.960
tors. eta vs tors. theta energy: -33.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -381.567587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.567587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.567587 (E_RNA)
where:
Base-Base interactions energy: -273.601
where: short stacking energy: -110.368
Base-Backbone interact. energy: -0.058
local terms energy: -107.908155
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -21.917
flat angles P-C4'-P energy: -14.049
tors. eta vs tors. theta energy: -33.891
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: 4
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -308.505817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.505817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.505817 (E_RNA)
where:
Base-Base interactions energy: -200.979
where: short stacking energy: -96.729
Base-Backbone interact. energy: -0.392
local terms energy: -107.134086
where:
bonds (distance) C4'-P energy: -19.694
bonds (distance) P-C4' energy: -21.522
flat angles C4'-P-C4' energy: -27.240
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -25.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -303.130098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.130098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.130098 (E_RNA)
where:
Base-Base interactions energy: -203.084
where: short stacking energy: -97.586
Base-Backbone interact. energy: -0.108
local terms energy: -99.938678
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -18.702
flat angles C4'-P-C4' energy: -24.086
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -29.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -293.306826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.306826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.306826 (E_RNA)
where:
Base-Base interactions energy: -196.971
where: short stacking energy: -93.092
Base-Backbone interact. energy: -0.083
local terms energy: -96.252767
where:
bonds (distance) C4'-P energy: -22.949
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -13.794
tors. eta vs tors. theta energy: -24.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -216.560220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.560220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.560220 (E_RNA)
where:
Base-Base interactions energy: -129.901
where: short stacking energy: -59.986
Base-Backbone interact. energy: -0.097
local terms energy: -86.562572
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -20.841
flat angles C4'-P-C4' energy: -20.225
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -20.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -131.107838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.107838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.107838 (E_RNA)
where:
Base-Base interactions energy: -54.713
where: short stacking energy: -52.106
Base-Backbone interact. energy: 0.025
local terms energy: -76.419263
where:
bonds (distance) C4'-P energy: -20.591
bonds (distance) P-C4' energy: -18.506
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -8.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -123.113604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.113604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.113604 (E_RNA)
where:
Base-Base interactions energy: -52.036
where: short stacking energy: -36.740
Base-Backbone interact. energy: 0.858
local terms energy: -71.935646
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -24.896
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -15.015
tors. eta vs tors. theta energy: -2.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -113.716039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.716039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.716039 (E_RNA)
where:
Base-Base interactions energy: -41.821
where: short stacking energy: -29.464
Base-Backbone interact. energy: -0.417
local terms energy: -71.477663
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -20.133
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -107.244221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.244221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.244221 (E_RNA)
where:
Base-Base interactions energy: -31.313
where: short stacking energy: -24.491
Base-Backbone interact. energy: -0.168
local terms energy: -75.763468
where:
bonds (distance) C4'-P energy: -23.301
bonds (distance) P-C4' energy: -18.099
flat angles C4'-P-C4' energy: -22.492
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: -5.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -399.254787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.254787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.254787 (E_RNA)
where:
Base-Base interactions energy: -282.567
where: short stacking energy: -112.969
Base-Backbone interact. energy: -0.057
local terms energy: -116.630343
where:
bonds (distance) C4'-P energy: -20.071
bonds (distance) P-C4' energy: -22.488
flat angles C4'-P-C4' energy: -22.718
flat angles P-C4'-P energy: -16.552
tors. eta vs tors. theta energy: -34.801
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: 9
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -382.620504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.620504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.620504 (E_RNA)
where:
Base-Base interactions energy: -269.208
where: short stacking energy: -108.110
Base-Backbone interact. energy: -0.012
local terms energy: -113.400851
where:
bonds (distance) C4'-P energy: -21.415
bonds (distance) P-C4' energy: -24.960
flat angles C4'-P-C4' energy: -23.223
flat angles P-C4'-P energy: -13.353
tors. eta vs tors. theta energy: -30.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -323.155880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.155880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.155880 (E_RNA)
where:
Base-Base interactions energy: -216.084
where: short stacking energy: -92.411
Base-Backbone interact. energy: -0.464
local terms energy: -106.606986
where:
bonds (distance) C4'-P energy: -18.295
bonds (distance) P-C4' energy: -19.189
flat angles C4'-P-C4' energy: -24.653
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -31.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -310.668604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.668604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.668604 (E_RNA)
where:
Base-Base interactions energy: -207.808
where: short stacking energy: -97.256
Base-Backbone interact. energy: -0.743
local terms energy: -102.117590
where:
bonds (distance) C4'-P energy: -19.621
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -21.259
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -31.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -298.523869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.523869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.523869 (E_RNA)
where:
Base-Base interactions energy: -205.729
where: short stacking energy: -88.346
Base-Backbone interact. energy: -0.705
local terms energy: -92.090197
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -17.268
flat angles C4'-P-C4' energy: -19.014
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -24.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -230.344720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.344720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.344720 (E_RNA)
where:
Base-Base interactions energy: -135.962
where: short stacking energy: -68.920
Base-Backbone interact. energy: -0.690
local terms energy: -93.693315
where:
bonds (distance) C4'-P energy: -19.848
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -18.864
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -18.767
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: 6
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -134.714021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.714021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.714021 (E_RNA)
where:
Base-Base interactions energy: -55.899
where: short stacking energy: -42.659
Base-Backbone interact. energy: -0.681
local terms energy: -78.134492
where:
bonds (distance) C4'-P energy: -19.649
bonds (distance) P-C4' energy: -22.480
flat angles C4'-P-C4' energy: -20.383
flat angles P-C4'-P energy: -6.030
tors. eta vs tors. theta energy: -9.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -124.246685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.246685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.246685 (E_RNA)
where:
Base-Base interactions energy: -63.235
where: short stacking energy: -47.769
Base-Backbone interact. energy: -0.420
local terms energy: -60.590803
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -20.495
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -3.765
tors. eta vs tors. theta energy: -2.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -116.566663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.566663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.566663 (E_RNA)
where:
Base-Base interactions energy: -49.738
where: short stacking energy: -41.183
Base-Backbone interact. energy: -0.170
local terms energy: -66.658200
where:
bonds (distance) C4'-P energy: -17.422
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -14.895
tors. eta vs tors. theta energy: -2.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -100.116884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.116884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.116884 (E_RNA)
where:
Base-Base interactions energy: -32.325
where: short stacking energy: -31.677
Base-Backbone interact. energy: -0.657
local terms energy: -67.134588
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -20.228
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -15.639
tors. eta vs tors. theta energy: -1.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -396.026174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.026174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.026174 (E_RNA)
where:
Base-Base interactions energy: -284.518
where: short stacking energy: -117.444
Base-Backbone interact. energy: -0.424
local terms energy: -111.084623
where:
bonds (distance) C4'-P energy: -19.687
bonds (distance) P-C4' energy: -19.860
flat angles C4'-P-C4' energy: -23.416
flat angles P-C4'-P energy: -15.651
tors. eta vs tors. theta energy: -32.470
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: 9
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -390.597165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.597165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.597165 (E_RNA)
where:
Base-Base interactions energy: -274.596
where: short stacking energy: -110.041
Base-Backbone interact. energy: -0.260
local terms energy: -115.740554
where:
bonds (distance) C4'-P energy: -20.167
bonds (distance) P-C4' energy: -21.214
flat angles C4'-P-C4' energy: -23.070
flat angles P-C4'-P energy: -17.987
tors. eta vs tors. theta energy: -33.303
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: 3, replica: 2
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -309.780912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.780912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.780912 (E_RNA)
where:
Base-Base interactions energy: -211.785
where: short stacking energy: -81.455
Base-Backbone interact. energy: -0.159
local terms energy: -97.836720
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -21.897
flat angles C4'-P-C4' energy: -23.516
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -22.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -321.261970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.261970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.261970 (E_RNA)
where:
Base-Base interactions energy: -204.661
where: short stacking energy: -97.780
Base-Backbone interact. energy: -3.178
local terms energy: -113.423107
where:
bonds (distance) C4'-P energy: -19.922
bonds (distance) P-C4' energy: -21.485
flat angles C4'-P-C4' energy: -22.214
flat angles P-C4'-P energy: -16.204
tors. eta vs tors. theta energy: -33.598
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: 3
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -286.788214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.788214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.788214 (E_RNA)
where:
Base-Base interactions energy: -187.327
where: short stacking energy: -84.421
Base-Backbone interact. energy: -0.085
local terms energy: -99.375827
where:
bonds (distance) C4'-P energy: -22.869
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -20.484
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -21.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -242.602765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.602765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.602765 (E_RNA)
where:
Base-Base interactions energy: -150.424
where: short stacking energy: -70.660
Base-Backbone interact. energy: -0.056
local terms energy: -92.123193
where:
bonds (distance) C4'-P energy: -19.384
bonds (distance) P-C4' energy: -19.089
flat angles C4'-P-C4' energy: -21.910
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -23.384
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: 6
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -124.514022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.514022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.514022 (E_RNA)
where:
Base-Base interactions energy: -50.721
where: short stacking energy: -50.721
Base-Backbone interact. energy: -0.163
local terms energy: -73.630848
where:
bonds (distance) C4'-P energy: -19.280
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -8.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -130.482437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.482437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.482437 (E_RNA)
where:
Base-Base interactions energy: -49.716
where: short stacking energy: -45.035
Base-Backbone interact. energy: -0.129
local terms energy: -80.636962
where:
bonds (distance) C4'-P energy: -23.745
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -10.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -112.867556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.867556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.867556 (E_RNA)
where:
Base-Base interactions energy: -43.936
where: short stacking energy: -35.223
Base-Backbone interact. energy: -0.281
local terms energy: -68.651125
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -21.583
flat angles C4'-P-C4' energy: -23.499
flat angles P-C4'-P energy: -5.558
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: 10, replica: 7
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -102.508768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.508768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.508768 (E_RNA)
where:
Base-Base interactions energy: -44.804
where: short stacking energy: -31.575
Base-Backbone interact. energy: -0.691
local terms energy: -57.013150
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -20.157
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -5.593
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: 9
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -391.382740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.382740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.382740 (E_RNA)
where:
Base-Base interactions energy: -278.130
where: short stacking energy: -113.854
Base-Backbone interact. energy: -0.005
local terms energy: -113.247452
where:
bonds (distance) C4'-P energy: -20.482
bonds (distance) P-C4' energy: -20.403
flat angles C4'-P-C4' energy: -21.142
flat angles P-C4'-P energy: -17.193
tors. eta vs tors. theta energy: -34.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -386.521267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.521267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.521267 (E_RNA)
where:
Base-Base interactions energy: -269.558
where: short stacking energy: -108.327
Base-Backbone interact. energy: -0.013
local terms energy: -116.950746
where:
bonds (distance) C4'-P energy: -21.932
bonds (distance) P-C4' energy: -23.774
flat angles C4'-P-C4' energy: -26.031
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -33.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -317.048155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.048155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.048155 (E_RNA)
where:
Base-Base interactions energy: -207.255
where: short stacking energy: -85.714
Base-Backbone interact. energy: -1.360
local terms energy: -108.433350
where:
bonds (distance) C4'-P energy: -22.005
bonds (distance) P-C4' energy: -23.536
flat angles C4'-P-C4' energy: -21.323
flat angles P-C4'-P energy: -16.852
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: 4, replica: 4
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -307.542593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.542593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.542593 (E_RNA)
where:
Base-Base interactions energy: -199.567
where: short stacking energy: -91.781
Base-Backbone interact. energy: -0.009
local terms energy: -107.965987
where:
bonds (distance) C4'-P energy: -23.868
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -25.784
flat angles P-C4'-P energy: -11.911
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: 5, replica: 3
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -311.046797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.046797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.046797 (E_RNA)
where:
Base-Base interactions energy: -206.393
where: short stacking energy: -88.288
Base-Backbone interact. energy: -0.330
local terms energy: -104.324329
where:
bonds (distance) C4'-P energy: -21.658
bonds (distance) P-C4' energy: -21.138
flat angles C4'-P-C4' energy: -20.729
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -27.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -259.401092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.401092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.401092 (E_RNA)
where:
Base-Base interactions energy: -167.792
where: short stacking energy: -77.707
Base-Backbone interact. energy: -0.040
local terms energy: -91.569067
where:
bonds (distance) C4'-P energy: -20.354
bonds (distance) P-C4' energy: -21.578
flat angles C4'-P-C4' energy: -21.091
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -20.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -150.888558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.888558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.888558 (E_RNA)
where:
Base-Base interactions energy: -83.325
where: short stacking energy: -57.486
Base-Backbone interact. energy: -0.190
local terms energy: -67.373053
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -19.083
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -6.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -120.765411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.765411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.765411 (E_RNA)
where:
Base-Base interactions energy: -46.437
where: short stacking energy: -41.593
Base-Backbone interact. energy: -0.114
local terms energy: -74.214824
where:
bonds (distance) C4'-P energy: -17.807
bonds (distance) P-C4' energy: -20.829
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -14.164
tors. eta vs tors. theta energy: -5.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -117.226395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.226395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.226395 (E_RNA)
where:
Base-Base interactions energy: -49.878
where: short stacking energy: -45.448
Base-Backbone interact. energy: -0.176
local terms energy: -67.172381
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -20.463
flat angles C4'-P-C4' energy: -21.235
flat angles P-C4'-P energy: -4.500
tors. eta vs tors. theta energy: -7.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -106.192638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.192638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.192638 (E_RNA)
where:
Base-Base interactions energy: -38.831
where: short stacking energy: -28.188
Base-Backbone interact. energy: -0.241
local terms energy: -67.120281
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -22.498
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -3.114
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: 1, replica: 9
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -395.967908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.967908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.967908 (E_RNA)
where:
Base-Base interactions energy: -280.384
where: short stacking energy: -109.117
Base-Backbone interact. energy: -0.002
local terms energy: -115.581725
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -22.051
flat angles C4'-P-C4' energy: -21.586
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -35.026
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: 5
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -388.698346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.698346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.698346 (E_RNA)
where:
Base-Base interactions energy: -279.985
where: short stacking energy: -105.124
Base-Backbone interact. energy: -0.802
local terms energy: -107.911247
where:
bonds (distance) C4'-P energy: -19.973
bonds (distance) P-C4' energy: -21.275
flat angles C4'-P-C4' energy: -22.423
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -31.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -305.146688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.146688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.146688 (E_RNA)
where:
Base-Base interactions energy: -215.083
where: short stacking energy: -95.867
Base-Backbone interact. energy: -0.374
local terms energy: -89.689998
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -22.330
flat angles P-C4'-P energy: -13.844
tors. eta vs tors. theta energy: -22.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -305.181807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.181807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.181807 (E_RNA)
where:
Base-Base interactions energy: -204.808
where: short stacking energy: -88.558
Base-Backbone interact. energy: -0.772
local terms energy: -99.602008
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -23.374
flat angles P-C4'-P energy: -14.567
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: 5, replica: 3
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -288.858441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.858441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.858441 (E_RNA)
where:
Base-Base interactions energy: -189.091
where: short stacking energy: -86.830
Base-Backbone interact. energy: -0.072
local terms energy: -99.695282
where:
bonds (distance) C4'-P energy: -20.950
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -15.918
tors. eta vs tors. theta energy: -24.509
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: 8
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -263.487312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.487312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.487312 (E_RNA)
where:
Base-Base interactions energy: -162.150
where: short stacking energy: -78.889
Base-Backbone interact. energy: 0.944
local terms energy: -102.282166
where:
bonds (distance) C4'-P energy: -22.857
bonds (distance) P-C4' energy: -18.106
flat angles C4'-P-C4' energy: -24.234
flat angles P-C4'-P energy: -12.367
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: 7, replica: 10
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -145.974093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.974093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.974093 (E_RNA)
where:
Base-Base interactions energy: -75.233
where: short stacking energy: -43.791
Base-Backbone interact. energy: -0.499
local terms energy: -70.241625
where:
bonds (distance) C4'-P energy: -20.867
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -18.479
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -6.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -168.139952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.139952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.139952 (E_RNA)
where:
Base-Base interactions energy: -94.352
where: short stacking energy: -52.499
Base-Backbone interact. energy: -0.253
local terms energy: -73.535431
where:
bonds (distance) C4'-P energy: -20.321
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -19.211
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -6.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -118.578265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.578265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.578265 (E_RNA)
where:
Base-Base interactions energy: -48.937
where: short stacking energy: -35.932
Base-Backbone interact. energy: -0.273
local terms energy: -69.367967
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -19.995
flat angles C4'-P-C4' energy: -23.557
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -1.936
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: 7
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -99.122938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.122938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.122938 (E_RNA)
where:
Base-Base interactions energy: -35.775
where: short stacking energy: -29.622
Base-Backbone interact. energy: -1.470
local terms energy: -61.877804
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -22.702
flat angles C4'-P-C4' energy: -8.926
flat angles P-C4'-P energy: -14.684
tors. eta vs tors. theta energy: 5.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -391.402029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.402029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.402029 (E_RNA)
where:
Base-Base interactions energy: -280.890
where: short stacking energy: -115.757
Base-Backbone interact. energy: -0.022
local terms energy: -110.489450
where:
bonds (distance) C4'-P energy: -21.968
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -22.210
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -31.628
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: 9
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -388.238429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.238429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.238429 (E_RNA)
where:
Base-Base interactions energy: -274.234
where: short stacking energy: -109.761
Base-Backbone interact. energy: -0.104
local terms energy: -113.900412
where:
bonds (distance) C4'-P energy: -23.633
bonds (distance) P-C4' energy: -19.198
flat angles C4'-P-C4' energy: -21.616
flat angles P-C4'-P energy: -14.135
tors. eta vs tors. theta energy: -35.318
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: 4
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -311.540240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.540240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.540240 (E_RNA)
where:
Base-Base interactions energy: -207.270
where: short stacking energy: -92.643
Base-Backbone interact. energy: -0.535
local terms energy: -103.736009
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -18.285
tors. eta vs tors. theta energy: -30.744
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: 2
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -302.506231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.506231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.506231 (E_RNA)
where:
Base-Base interactions energy: -212.381
where: short stacking energy: -80.525
Base-Backbone interact. energy: -0.421
local terms energy: -89.704412
where:
bonds (distance) C4'-P energy: -21.645
bonds (distance) P-C4' energy: -18.825
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -16.379
tors. eta vs tors. theta energy: -17.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -259.835743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.835743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.835743 (E_RNA)
where:
Base-Base interactions energy: -167.882
where: short stacking energy: -78.575
Base-Backbone interact. energy: -0.146
local terms energy: -91.807940
where:
bonds (distance) C4'-P energy: -19.902
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -22.373
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -19.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -275.255445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.255445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.255445 (E_RNA)
where:
Base-Base interactions energy: -179.685
where: short stacking energy: -84.479
Base-Backbone interact. energy: -0.017
local terms energy: -95.553923
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -22.133
flat angles C4'-P-C4' energy: -20.401
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -22.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -148.242691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.242691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.242691 (E_RNA)
where:
Base-Base interactions energy: -70.197
where: short stacking energy: -44.602
Base-Backbone interact. energy: -0.181
local terms energy: -77.864573
where:
bonds (distance) C4'-P energy: -22.138
bonds (distance) P-C4' energy: -22.259
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -4.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -124.983523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.983523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.983523 (E_RNA)
where:
Base-Base interactions energy: -61.533
where: short stacking energy: -47.346
Base-Backbone interact. energy: -0.091
local terms energy: -63.359962
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -7.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -105.986362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.986362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.986362 (E_RNA)
where:
Base-Base interactions energy: -41.745
where: short stacking energy: -38.513
Base-Backbone interact. energy: -0.037
local terms energy: -64.203484
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -21.608
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -1.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -94.566450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.566450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.566450 (E_RNA)
where:
Base-Base interactions energy: -36.059
where: short stacking energy: -30.712
Base-Backbone interact. energy: 0.060
local terms energy: -58.567482
where:
bonds (distance) C4'-P energy: -20.794
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: 7.007
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: 5
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -391.041470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.041470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.041470 (E_RNA)
where:
Base-Base interactions energy: -272.187
where: short stacking energy: -110.898
Base-Backbone interact. energy: -0.081
local terms energy: -118.774363
where:
bonds (distance) C4'-P energy: -22.169
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -23.300
flat angles P-C4'-P energy: -17.022
tors. eta vs tors. theta energy: -34.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -385.170356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.170356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.170356 (E_RNA)
where:
Base-Base interactions energy: -257.640
where: short stacking energy: -110.108
Base-Backbone interact. energy: -0.142
local terms energy: -127.388761
where:
bonds (distance) C4'-P energy: -22.883
bonds (distance) P-C4' energy: -24.688
flat angles C4'-P-C4' energy: -26.174
flat angles P-C4'-P energy: -17.398
tors. eta vs tors. theta energy: -36.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -315.277367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.277367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.277367 (E_RNA)
where:
Base-Base interactions energy: -208.909
where: short stacking energy: -99.267
Base-Backbone interact. energy: -0.032
local terms energy: -106.336295
where:
bonds (distance) C4'-P energy: -19.016
bonds (distance) P-C4' energy: -22.206
flat angles C4'-P-C4' energy: -20.603
flat angles P-C4'-P energy: -14.229
tors. eta vs tors. theta energy: -30.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -311.200511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.200511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.200511 (E_RNA)
where:
Base-Base interactions energy: -206.589
where: short stacking energy: -83.545
Base-Backbone interact. energy: -0.247
local terms energy: -104.365069
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -21.840
flat angles C4'-P-C4' energy: -24.994
flat angles P-C4'-P energy: -16.864
tors. eta vs tors. theta energy: -24.030
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: 5, replica: 8
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -251.569769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.569769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.569769 (E_RNA)
where:
Base-Base interactions energy: -166.848
where: short stacking energy: -66.551
Base-Backbone interact. energy: -0.209
local terms energy: -84.512656
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -20.620
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -21.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -296.178823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.178823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.178823 (E_RNA)
where:
Base-Base interactions energy: -209.397
where: short stacking energy: -90.768
Base-Backbone interact. energy: -0.708
local terms energy: -86.073619
where:
bonds (distance) C4'-P energy: -17.803
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -20.228
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -17.810
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: 7, replica: 10
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -147.221879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.221879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.221879 (E_RNA)
where:
Base-Base interactions energy: -83.639
where: short stacking energy: -55.544
Base-Backbone interact. energy: -0.127
local terms energy: -63.455975
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -16.366
flat angles C4'-P-C4' energy: -20.839
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -0.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -118.108382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.108382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.108382 (E_RNA)
where:
Base-Base interactions energy: -54.477
where: short stacking energy: -45.534
Base-Backbone interact. energy: -0.918
local terms energy: -62.713302
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -19.072
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -1.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -136.596772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.596772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.596772 (E_RNA)
where:
Base-Base interactions energy: -68.688
where: short stacking energy: -35.815
Base-Backbone interact. energy: 0.147
local terms energy: -68.055822
where:
bonds (distance) C4'-P energy: -20.163
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -19.327
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -2.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -114.244180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.244180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.244180 (E_RNA)
where:
Base-Base interactions energy: -49.935
where: short stacking energy: -39.162
Base-Backbone interact. energy: 1.951
local terms energy: -66.259970
where:
bonds (distance) C4'-P energy: -20.470
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -8.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -389.258578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.258578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.258578 (E_RNA)
where:
Base-Base interactions energy: -270.953
where: short stacking energy: -111.330
Base-Backbone interact. energy: -1.148
local terms energy: -117.157334
where:
bonds (distance) C4'-P energy: -18.882
bonds (distance) P-C4' energy: -23.403
flat angles C4'-P-C4' energy: -24.202
flat angles P-C4'-P energy: -16.642
tors. eta vs tors. theta energy: -34.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -382.797252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.797252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.797252 (E_RNA)
where:
Base-Base interactions energy: -270.693
where: short stacking energy: -104.353
Base-Backbone interact. energy: -0.002
local terms energy: -112.101780
where:
bonds (distance) C4'-P energy: -21.835
bonds (distance) P-C4' energy: -18.973
flat angles C4'-P-C4' energy: -21.808
flat angles P-C4'-P energy: -16.274
tors. eta vs tors. theta energy: -33.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -326.379788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.379788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.379788 (E_RNA)
where:
Base-Base interactions energy: -218.383
where: short stacking energy: -88.038
Base-Backbone interact. energy: -1.056
local terms energy: -106.940442
where:
bonds (distance) C4'-P energy: -21.298
bonds (distance) P-C4' energy: -21.235
flat angles C4'-P-C4' energy: -24.470
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -28.231
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: 4, replica: 4
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -296.890942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.890942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.890942 (E_RNA)
where:
Base-Base interactions energy: -193.885
where: short stacking energy: -93.330
Base-Backbone interact. energy: -0.832
local terms energy: -102.174049
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -20.516
flat angles P-C4'-P energy: -18.182
tors. eta vs tors. theta energy: -26.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -291.676300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.676300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.676300 (E_RNA)
where:
Base-Base interactions energy: -187.023
where: short stacking energy: -81.374
Base-Backbone interact. energy: -2.681
local terms energy: -101.972797
where:
bonds (distance) C4'-P energy: -19.844
bonds (distance) P-C4' energy: -21.061
flat angles C4'-P-C4' energy: -22.075
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -25.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -240.772905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.772905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.772905 (E_RNA)
where:
Base-Base interactions energy: -145.722
where: short stacking energy: -58.750
Base-Backbone interact. energy: -0.186
local terms energy: -94.864918
where:
bonds (distance) C4'-P energy: -21.405
bonds (distance) P-C4' energy: -23.635
flat angles C4'-P-C4' energy: -20.569
flat angles P-C4'-P energy: -14.495
tors. eta vs tors. theta energy: -14.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -127.826005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.826005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.826005 (E_RNA)
where:
Base-Base interactions energy: -46.270
where: short stacking energy: -37.634
Base-Backbone interact. energy: -0.334
local terms energy: -81.222748
where:
bonds (distance) C4'-P energy: -20.200
bonds (distance) P-C4' energy: -25.626
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -7.139
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: 7
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -116.517766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.517766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.517766 (E_RNA)
where:
Base-Base interactions energy: -44.856
where: short stacking energy: -36.398
Base-Backbone interact. energy: -0.583
local terms energy: -71.078584
where:
bonds (distance) C4'-P energy: -19.560
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -20.553
flat angles P-C4'-P energy: -14.916
tors. eta vs tors. theta energy: 1.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -158.855587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.855587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.855587 (E_RNA)
where:
Base-Base interactions energy: -96.025
where: short stacking energy: -41.288
Base-Backbone interact. energy: 0.763
local terms energy: -63.594166
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -20.327
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -0.139
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: 6
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -97.743519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.743519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.743519 (E_RNA)
where:
Base-Base interactions energy: -38.609
where: short stacking energy: -21.552
Base-Backbone interact. energy: 1.032
local terms energy: -60.166538
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -0.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -392.561910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.561910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.561910 (E_RNA)
where:
Base-Base interactions energy: -279.632
where: short stacking energy: -111.986
Base-Backbone interact. energy: -0.785
local terms energy: -112.144994
where:
bonds (distance) C4'-P energy: -19.683
bonds (distance) P-C4' energy: -23.354
flat angles C4'-P-C4' energy: -20.227
flat angles P-C4'-P energy: -15.673
tors. eta vs tors. theta energy: -33.208
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: 5
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -386.824821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.824821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.824821 (E_RNA)
where:
Base-Base interactions energy: -274.280
where: short stacking energy: -109.811
Base-Backbone interact. energy: -0.108
local terms energy: -112.436228
where:
bonds (distance) C4'-P energy: -17.600
bonds (distance) P-C4' energy: -22.436
flat angles C4'-P-C4' energy: -23.418
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -35.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -326.972254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.972254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.972254 (E_RNA)
where:
Base-Base interactions energy: -218.357
where: short stacking energy: -90.316
Base-Backbone interact. energy: 0.149
local terms energy: -108.764317
where:
bonds (distance) C4'-P energy: -22.444
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -23.446
flat angles P-C4'-P energy: -14.432
tors. eta vs tors. theta energy: -29.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -306.745729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.745729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.745729 (E_RNA)
where:
Base-Base interactions energy: -200.341
where: short stacking energy: -96.487
Base-Backbone interact. energy: -0.183
local terms energy: -106.221115
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -21.808
flat angles C4'-P-C4' energy: -22.633
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -28.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -304.594297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.594297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.594297 (E_RNA)
where:
Base-Base interactions energy: -218.921
where: short stacking energy: -88.390
Base-Backbone interact. energy: -0.069
local terms energy: -85.603593
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -25.676
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: 8
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -241.963573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.963573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.963573 (E_RNA)
where:
Base-Base interactions energy: -156.056
where: short stacking energy: -65.515
Base-Backbone interact. energy: -1.288
local terms energy: -84.619842
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -19.441
flat angles P-C4'-P energy: -17.253
tors. eta vs tors. theta energy: -14.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -142.184460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.184460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.184460 (E_RNA)
where:
Base-Base interactions energy: -70.222
where: short stacking energy: -47.610
Base-Backbone interact. energy: -0.429
local terms energy: -71.533542
where:
bonds (distance) C4'-P energy: -18.639
bonds (distance) P-C4' energy: -19.261
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -5.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -112.349636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.349636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.349636 (E_RNA)
where:
Base-Base interactions energy: -40.215
where: short stacking energy: -40.215
Base-Backbone interact. energy: -0.092
local terms energy: -72.041848
where:
bonds (distance) C4'-P energy: -20.904
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -21.775
flat angles P-C4'-P energy: -5.323
tors. eta vs tors. theta energy: -5.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -108.760158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.760158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.760158 (E_RNA)
where:
Base-Base interactions energy: -41.301
where: short stacking energy: -34.105
Base-Backbone interact. energy: 0.438
local terms energy: -67.897712
where:
bonds (distance) C4'-P energy: -17.734
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -4.551
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: 6
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -97.331152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.331152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.331152 (E_RNA)
where:
Base-Base interactions energy: -38.650
where: short stacking energy: -28.788
Base-Backbone interact. energy: 1.403
local terms energy: -60.084283
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -21.302
flat angles P-C4'-P energy: -2.690
tors. eta vs tors. theta energy: 1.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -394.225582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.225582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.225582 (E_RNA)
where:
Base-Base interactions energy: -275.059
where: short stacking energy: -115.864
Base-Backbone interact. energy: -0.004
local terms energy: -119.162590
where:
bonds (distance) C4'-P energy: -21.658
bonds (distance) P-C4' energy: -23.117
flat angles C4'-P-C4' energy: -25.639
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -34.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -385.204212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.204212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.204212 (E_RNA)
where:
Base-Base interactions energy: -267.332
where: short stacking energy: -108.845
Base-Backbone interact. energy: -0.006
local terms energy: -117.866727
where:
bonds (distance) C4'-P energy: -19.318
bonds (distance) P-C4' energy: -24.673
flat angles C4'-P-C4' energy: -21.897
flat angles P-C4'-P energy: -17.516
tors. eta vs tors. theta energy: -34.462
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: 2
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -333.821332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.821332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.821332 (E_RNA)
where:
Base-Base interactions energy: -225.364
where: short stacking energy: -98.228
Base-Backbone interact. energy: -0.404
local terms energy: -108.053127
where:
bonds (distance) C4'-P energy: -26.480
bonds (distance) P-C4' energy: -18.204
flat angles C4'-P-C4' energy: -24.535
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -26.748
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: 4, replica: 4
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -292.072761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.072761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.072761 (E_RNA)
where:
Base-Base interactions energy: -191.351
where: short stacking energy: -86.963
Base-Backbone interact. energy: -0.546
local terms energy: -100.175799
where:
bonds (distance) C4'-P energy: -19.905
bonds (distance) P-C4' energy: -21.604
flat angles C4'-P-C4' energy: -23.147
flat angles P-C4'-P energy: -14.736
tors. eta vs tors. theta energy: -20.783
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: 3
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -305.840427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.840427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.840427 (E_RNA)
where:
Base-Base interactions energy: -201.312
where: short stacking energy: -88.413
Base-Backbone interact. energy: 1.869
local terms energy: -106.397082
where:
bonds (distance) C4'-P energy: -22.891
bonds (distance) P-C4' energy: -23.505
flat angles C4'-P-C4' energy: -20.771
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -24.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -251.234405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.234405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.234405 (E_RNA)
where:
Base-Base interactions energy: -163.793
where: short stacking energy: -59.546
Base-Backbone interact. energy: -0.875
local terms energy: -86.565971
where:
bonds (distance) C4'-P energy: -21.488
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -19.318
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -12.411
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: 10
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -136.438750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.438750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.438750 (E_RNA)
where:
Base-Base interactions energy: -62.334
where: short stacking energy: -48.494
Base-Backbone interact. energy: -0.148
local terms energy: -73.956701
where:
bonds (distance) C4'-P energy: -19.073
bonds (distance) P-C4' energy: -22.269
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -7.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -131.156437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.156437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.156437 (E_RNA)
where:
Base-Base interactions energy: -70.866
where: short stacking energy: -39.668
Base-Backbone interact. energy: -0.237
local terms energy: -60.053711
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -1.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -100.377812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.377812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.377812 (E_RNA)
where:
Base-Base interactions energy: -28.220
where: short stacking energy: -24.686
Base-Backbone interact. energy: -1.173
local terms energy: -70.984346
where:
bonds (distance) C4'-P energy: -22.597
bonds (distance) P-C4' energy: -19.770
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -2.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -114.781321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.781321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.781321 (E_RNA)
where:
Base-Base interactions energy: -45.843
where: short stacking energy: -31.458
Base-Backbone interact. energy: -1.086
local terms energy: -67.852454
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -0.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -391.840053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.840053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.840053 (E_RNA)
where:
Base-Base interactions energy: -279.541
where: short stacking energy: -117.015
Base-Backbone interact. energy: -0.102
local terms energy: -112.197078
where:
bonds (distance) C4'-P energy: -18.006
bonds (distance) P-C4' energy: -21.072
flat angles C4'-P-C4' energy: -26.147
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -34.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -387.964235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.964235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.964235 (E_RNA)
where:
Base-Base interactions energy: -272.396
where: short stacking energy: -105.231
Base-Backbone interact. energy: -0.027
local terms energy: -115.541646
where:
bonds (distance) C4'-P energy: -16.559
bonds (distance) P-C4' energy: -25.835
flat angles C4'-P-C4' energy: -23.706
flat angles P-C4'-P energy: -15.811
tors. eta vs tors. theta energy: -33.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -326.205603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.205603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.205603 (E_RNA)
where:
Base-Base interactions energy: -214.413
where: short stacking energy: -90.186
Base-Backbone interact. energy: -0.422
local terms energy: -111.370331
where:
bonds (distance) C4'-P energy: -22.731
bonds (distance) P-C4' energy: -22.864
flat angles C4'-P-C4' energy: -21.306
flat angles P-C4'-P energy: -18.543
tors. eta vs tors. theta energy: -25.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -294.958733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.958733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.958733 (E_RNA)
where:
Base-Base interactions energy: -193.711
where: short stacking energy: -89.229
Base-Backbone interact. energy: 0.687
local terms energy: -101.934691
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -15.253
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: 5, replica: 4
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -276.574921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.574921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.574921 (E_RNA)
where:
Base-Base interactions energy: -177.789
where: short stacking energy: -82.097
Base-Backbone interact. energy: -0.604
local terms energy: -98.182281
where:
bonds (distance) C4'-P energy: -22.495
bonds (distance) P-C4' energy: -23.500
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -24.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -229.887399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.887399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.887399 (E_RNA)
where:
Base-Base interactions energy: -143.106
where: short stacking energy: -68.805
Base-Backbone interact. energy: -1.305
local terms energy: -85.477148
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -22.531
flat angles C4'-P-C4' energy: -20.258
flat angles P-C4'-P energy: -15.141
tors. eta vs tors. theta energy: -11.277
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: 10
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -155.686891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.686891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.686891 (E_RNA)
where:
Base-Base interactions energy: -87.112
where: short stacking energy: -41.115
Base-Backbone interact. energy: -0.502
local terms energy: -68.073373
where:
bonds (distance) C4'-P energy: -19.399
bonds (distance) P-C4' energy: -19.209
flat angles C4'-P-C4' energy: -19.567
flat angles P-C4'-P energy: -5.178
tors. eta vs tors. theta energy: -4.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -137.121749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.121749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.121749 (E_RNA)
where:
Base-Base interactions energy: -55.481
where: short stacking energy: -33.486
Base-Backbone interact. energy: -0.352
local terms energy: -81.288279
where:
bonds (distance) C4'-P energy: -23.248
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -17.902
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: -7.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -115.349112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.349112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.349112 (E_RNA)
where:
Base-Base interactions energy: -37.725
where: short stacking energy: -37.725
Base-Backbone interact. energy: 0.453
local terms energy: -78.076996
where:
bonds (distance) C4'-P energy: -20.353
bonds (distance) P-C4' energy: -24.976
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -14.875
tors. eta vs tors. theta energy: -0.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -114.350539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.350539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.350539 (E_RNA)
where:
Base-Base interactions energy: -55.790
where: short stacking energy: -37.648
Base-Backbone interact. energy: 0.337
local terms energy: -58.897958
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -22.458
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -6.232
tors. eta vs tors. theta energy: -3.686
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: 9
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -394.197341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.197341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.197341 (E_RNA)
where:
Base-Base interactions energy: -282.102
where: short stacking energy: -115.818
Base-Backbone interact. energy: -0.089
local terms energy: -112.006284
where:
bonds (distance) C4'-P energy: -18.850
bonds (distance) P-C4' energy: -22.721
flat angles C4'-P-C4' energy: -24.734
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -32.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -389.915457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.915457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.915457 (E_RNA)
where:
Base-Base interactions energy: -271.887
where: short stacking energy: -103.552
Base-Backbone interact. energy: -0.043
local terms energy: -117.985355
where:
bonds (distance) C4'-P energy: -20.586
bonds (distance) P-C4' energy: -25.559
flat angles C4'-P-C4' energy: -21.552
flat angles P-C4'-P energy: -16.484
tors. eta vs tors. theta energy: -33.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -330.397031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.397031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.397031 (E_RNA)
where:
Base-Base interactions energy: -220.061
where: short stacking energy: -93.171
Base-Backbone interact. energy: -0.681
local terms energy: -109.655300
where:
bonds (distance) C4'-P energy: -22.639
bonds (distance) P-C4' energy: -26.052
flat angles C4'-P-C4' energy: -20.254
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: -27.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -305.824649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.824649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.824649 (E_RNA)
where:
Base-Base interactions energy: -200.783
where: short stacking energy: -82.133
Base-Backbone interact. energy: -0.075
local terms energy: -104.965921
where:
bonds (distance) C4'-P energy: -22.439
bonds (distance) P-C4' energy: -24.029
flat angles C4'-P-C4' energy: -22.509
flat angles P-C4'-P energy: -15.872
tors. eta vs tors. theta energy: -20.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -302.570410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.570410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.570410 (E_RNA)
where:
Base-Base interactions energy: -203.214
where: short stacking energy: -91.555
Base-Backbone interact. energy: -0.004
local terms energy: -99.352497
where:
bonds (distance) C4'-P energy: -17.966
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -20.557
flat angles P-C4'-P energy: -16.974
tors. eta vs tors. theta energy: -28.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -239.181162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.181162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.181162 (E_RNA)
where:
Base-Base interactions energy: -151.428
where: short stacking energy: -78.603
Base-Backbone interact. energy: -0.184
local terms energy: -87.569055
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -22.151
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: -18.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -141.696834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.696834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.696834 (E_RNA)
where:
Base-Base interactions energy: -67.071
where: short stacking energy: -43.697
Base-Backbone interact. energy: -0.335
local terms energy: -74.290705
where:
bonds (distance) C4'-P energy: -23.781
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -21.333
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -1.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -118.101732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.101732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.101732 (E_RNA)
where:
Base-Base interactions energy: -38.610
where: short stacking energy: -34.766
Base-Backbone interact. energy: -0.262
local terms energy: -79.229285
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -6.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -115.444753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.444753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.444753 (E_RNA)
where:
Base-Base interactions energy: -36.881
where: short stacking energy: -34.724
Base-Backbone interact. energy: -0.293
local terms energy: -78.271447
where:
bonds (distance) C4'-P energy: -19.782
bonds (distance) P-C4' energy: -20.166
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -8.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -107.860228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.860228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.860228 (E_RNA)
where:
Base-Base interactions energy: -42.025
where: short stacking energy: -33.943
Base-Backbone interact. energy: 0.340
local terms energy: -66.175124
where:
bonds (distance) C4'-P energy: -19.817
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -21.343
flat angles P-C4'-P energy: -4.543
tors. eta vs tors. theta energy: -3.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -391.106802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.106802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.106802 (E_RNA)
where:
Base-Base interactions energy: -274.523
where: short stacking energy: -108.742
Base-Backbone interact. energy: -0.020
local terms energy: -116.563749
where:
bonds (distance) C4'-P energy: -24.213
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -20.004
flat angles P-C4'-P energy: -20.571
tors. eta vs tors. theta energy: -33.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -387.083254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.083254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.083254 (E_RNA)
where:
Base-Base interactions energy: -268.694
where: short stacking energy: -112.330
Base-Backbone interact. energy: -0.011
local terms energy: -118.378168
where:
bonds (distance) C4'-P energy: -21.754
bonds (distance) P-C4' energy: -23.035
flat angles C4'-P-C4' energy: -22.148
flat angles P-C4'-P energy: -17.690
tors. eta vs tors. theta energy: -33.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -322.921274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.921274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.921274 (E_RNA)
where:
Base-Base interactions energy: -219.301
where: short stacking energy: -94.876
Base-Backbone interact. energy: 1.242
local terms energy: -104.862510
where:
bonds (distance) C4'-P energy: -22.635
bonds (distance) P-C4' energy: -23.318
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -17.198
tors. eta vs tors. theta energy: -25.196
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: 4
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -325.204000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.204000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.204000 (E_RNA)
where:
Base-Base interactions energy: -218.108
where: short stacking energy: -91.634
Base-Backbone interact. energy: -0.862
local terms energy: -106.234216
where:
bonds (distance) C4'-P energy: -21.617
bonds (distance) P-C4' energy: -25.071
flat angles C4'-P-C4' energy: -18.887
flat angles P-C4'-P energy: -14.966
tors. eta vs tors. theta energy: -25.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -304.317299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.317299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.317299 (E_RNA)
where:
Base-Base interactions energy: -218.200
where: short stacking energy: -95.720
Base-Backbone interact. energy: -0.129
local terms energy: -85.988629
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -10.502
flat angles C4'-P-C4' energy: -21.181
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -28.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -257.003799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.003799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.003799 (E_RNA)
where:
Base-Base interactions energy: -153.588
where: short stacking energy: -76.940
Base-Backbone interact. energy: -1.260
local terms energy: -102.156690
where:
bonds (distance) C4'-P energy: -22.486
bonds (distance) P-C4' energy: -22.427
flat angles C4'-P-C4' energy: -21.962
flat angles P-C4'-P energy: -14.253
tors. eta vs tors. theta energy: -21.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -113.043361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.043361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.043361 (E_RNA)
where:
Base-Base interactions energy: -51.984
where: short stacking energy: -35.848
Base-Backbone interact. energy: -0.373
local terms energy: -60.685930
where:
bonds (distance) C4'-P energy: -19.354
bonds (distance) P-C4' energy: -18.693
flat angles C4'-P-C4' energy: -19.871
flat angles P-C4'-P energy: -5.282
tors. eta vs tors. theta energy: 2.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -126.255751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.255751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.255751 (E_RNA)
where:
Base-Base interactions energy: -46.145
where: short stacking energy: -46.145
Base-Backbone interact. energy: -0.603
local terms energy: -79.507706
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -20.471
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -16.210
tors. eta vs tors. theta energy: -12.316
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: 9, replica: 10
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -103.619953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.619953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.619953 (E_RNA)
where:
Base-Base interactions energy: -30.385
where: short stacking energy: -30.385
Base-Backbone interact. energy: 3.929
local terms energy: -77.164331
where:
bonds (distance) C4'-P energy: -21.392
bonds (distance) P-C4' energy: -20.838
flat angles C4'-P-C4' energy: -21.038
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -1.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -98.103675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.103675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.103675 (E_RNA)
where:
Base-Base interactions energy: -39.807
where: short stacking energy: -36.519
Base-Backbone interact. energy: -1.494
local terms energy: -56.802656
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -22.202
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: 1.637
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: 5
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -397.257846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.257846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.257846 (E_RNA)
where:
Base-Base interactions energy: -283.905
where: short stacking energy: -113.684
Base-Backbone interact. energy: -0.104
local terms energy: -113.248288
where:
bonds (distance) C4'-P energy: -21.207
bonds (distance) P-C4' energy: -24.630
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -15.907
tors. eta vs tors. theta energy: -33.836
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: 156
Temperature: 0.950000
Total energy: -394.254931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.254931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.254931 (E_RNA)
where:
Base-Base interactions energy: -280.539
where: short stacking energy: -113.493
Base-Backbone interact. energy: -0.017
local terms energy: -113.698455
where:
bonds (distance) C4'-P energy: -20.735
bonds (distance) P-C4' energy: -20.511
flat angles C4'-P-C4' energy: -24.636
flat angles P-C4'-P energy: -16.296
tors. eta vs tors. theta energy: -31.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -325.103412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.103412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.103412 (E_RNA)
where:
Base-Base interactions energy: -223.998
where: short stacking energy: -103.707
Base-Backbone interact. energy: -0.183
local terms energy: -100.921702
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -21.433
flat angles C4'-P-C4' energy: -20.953
flat angles P-C4'-P energy: -14.272
tors. eta vs tors. theta energy: -29.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -292.788369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.788369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.788369 (E_RNA)
where:
Base-Base interactions energy: -192.686
where: short stacking energy: -83.595
Base-Backbone interact. energy: -0.009
local terms energy: -100.093066
where:
bonds (distance) C4'-P energy: -19.487
bonds (distance) P-C4' energy: -24.507
flat angles C4'-P-C4' energy: -18.937
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -26.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -304.335465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.335465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.335465 (E_RNA)
where:
Base-Base interactions energy: -207.247
where: short stacking energy: -87.920
Base-Backbone interact. energy: -0.010
local terms energy: -97.079037
where:
bonds (distance) C4'-P energy: -18.701
bonds (distance) P-C4' energy: -18.980
flat angles C4'-P-C4' energy: -19.200
flat angles P-C4'-P energy: -14.216
tors. eta vs tors. theta energy: -25.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -278.709421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.709421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.709421 (E_RNA)
where:
Base-Base interactions energy: -176.734
where: short stacking energy: -90.635
Base-Backbone interact. energy: -0.756
local terms energy: -101.220013
where:
bonds (distance) C4'-P energy: -20.241
bonds (distance) P-C4' energy: -20.900
flat angles C4'-P-C4' energy: -23.424
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -24.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -128.615174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.615174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.615174 (E_RNA)
where:
Base-Base interactions energy: -68.933
where: short stacking energy: -43.089
Base-Backbone interact. energy: -0.304
local terms energy: -59.378715
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -10.715
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: 8, replica: 6
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -125.375513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.375513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.375513 (E_RNA)
where:
Base-Base interactions energy: -45.141
where: short stacking energy: -35.957
Base-Backbone interact. energy: -0.152
local terms energy: -80.081880
where:
bonds (distance) C4'-P energy: -21.484
bonds (distance) P-C4' energy: -21.763
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -4.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -114.035835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.035835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.035835 (E_RNA)
where:
Base-Base interactions energy: -36.714
where: short stacking energy: -33.683
Base-Backbone interact. energy: -0.120
local terms energy: -77.202069
where:
bonds (distance) C4'-P energy: -20.449
bonds (distance) P-C4' energy: -20.630
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -14.985
tors. eta vs tors. theta energy: -3.677
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: 10
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -110.716510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.716510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.716510 (E_RNA)
where:
Base-Base interactions energy: -33.869
where: short stacking energy: -33.869
Base-Backbone interact. energy: -1.046
local terms energy: -75.801301
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -22.063
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -6.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -389.278623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.278623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.278623 (E_RNA)
where:
Base-Base interactions energy: -271.654
where: short stacking energy: -108.945
Base-Backbone interact. energy: -0.263
local terms energy: -117.361723
where:
bonds (distance) C4'-P energy: -22.262
bonds (distance) P-C4' energy: -22.228
flat angles C4'-P-C4' energy: -24.024
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -36.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -393.369915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.369915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.369915 (E_RNA)
where:
Base-Base interactions energy: -275.998
where: short stacking energy: -114.231
Base-Backbone interact. energy: -0.684
local terms energy: -116.688102
where:
bonds (distance) C4'-P energy: -21.748
bonds (distance) P-C4' energy: -18.508
flat angles C4'-P-C4' energy: -24.546
flat angles P-C4'-P energy: -17.794
tors. eta vs tors. theta energy: -34.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -326.854711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.854711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.854711 (E_RNA)
where:
Base-Base interactions energy: -226.879
where: short stacking energy: -95.052
Base-Backbone interact. energy: -0.118
local terms energy: -99.857631
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -21.945
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -25.753
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: 3
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -319.001769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.001769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.001769 (E_RNA)
where:
Base-Base interactions energy: -217.337
where: short stacking energy: -93.517
Base-Backbone interact. energy: -0.204
local terms energy: -101.461120
where:
bonds (distance) C4'-P energy: -21.665
bonds (distance) P-C4' energy: -18.817
flat angles C4'-P-C4' energy: -20.481
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -27.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -287.959163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.959163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.959163 (E_RNA)
where:
Base-Base interactions energy: -179.992
where: short stacking energy: -84.774
Base-Backbone interact. energy: 0.434
local terms energy: -108.401370
where:
bonds (distance) C4'-P energy: -21.578
bonds (distance) P-C4' energy: -20.148
flat angles C4'-P-C4' energy: -26.046
flat angles P-C4'-P energy: -15.771
tors. eta vs tors. theta energy: -24.858
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: 8
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -258.207253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.207253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.207253 (E_RNA)
where:
Base-Base interactions energy: -160.110
where: short stacking energy: -82.080
Base-Backbone interact. energy: -0.528
local terms energy: -97.569640
where:
bonds (distance) C4'-P energy: -20.369
bonds (distance) P-C4' energy: -22.784
flat angles C4'-P-C4' energy: -24.501
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -22.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -117.080581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.080581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.080581 (E_RNA)
where:
Base-Base interactions energy: -42.644
where: short stacking energy: -35.284
Base-Backbone interact. energy: -1.487
local terms energy: -72.949191
where:
bonds (distance) C4'-P energy: -18.988
bonds (distance) P-C4' energy: -21.172
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -3.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -129.012128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.012128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.012128 (E_RNA)
where:
Base-Base interactions energy: -48.780
where: short stacking energy: -45.725
Base-Backbone interact. energy: -0.040
local terms energy: -80.192479
where:
bonds (distance) C4'-P energy: -16.451
bonds (distance) P-C4' energy: -17.658
flat angles C4'-P-C4' energy: -22.265
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -9.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -113.359951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.359951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.359951 (E_RNA)
where:
Base-Base interactions energy: -51.695
where: short stacking energy: -32.597
Base-Backbone interact. energy: -0.549
local terms energy: -61.115799
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -19.050
flat angles C4'-P-C4' energy: -19.639
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: 0.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -105.835017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.835017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.835017 (E_RNA)
where:
Base-Base interactions energy: -36.641
where: short stacking energy: -36.641
Base-Backbone interact. energy: -0.148
local terms energy: -69.045993
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -22.696
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -15.047
tors. eta vs tors. theta energy: -6.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -396.084136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.084136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.084136 (E_RNA)
where:
Base-Base interactions energy: -275.778
where: short stacking energy: -114.521
Base-Backbone interact. energy: -1.299
local terms energy: -119.006809
where:
bonds (distance) C4'-P energy: -21.786
bonds (distance) P-C4' energy: -23.167
flat angles C4'-P-C4' energy: -23.714
flat angles P-C4'-P energy: -15.485
tors. eta vs tors. theta energy: -34.856
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: 5
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -393.333026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.333026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.333026 (E_RNA)
where:
Base-Base interactions energy: -273.752
where: short stacking energy: -112.973
Base-Backbone interact. energy: -0.014
local terms energy: -119.566422
where:
bonds (distance) C4'-P energy: -22.087
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -23.159
flat angles P-C4'-P energy: -18.588
tors. eta vs tors. theta energy: -35.757
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: 4
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -344.050120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.050120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.050120 (E_RNA)
where:
Base-Base interactions energy: -237.775
where: short stacking energy: -96.489
Base-Backbone interact. energy: -0.229
local terms energy: -106.046765
where:
bonds (distance) C4'-P energy: -20.369
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -23.929
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -30.378
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: 3
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -300.985470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.985470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.985470 (E_RNA)
where:
Base-Base interactions energy: -192.639
where: short stacking energy: -80.408
Base-Backbone interact. energy: -0.655
local terms energy: -107.691800
where:
bonds (distance) C4'-P energy: -21.670
bonds (distance) P-C4' energy: -17.251
flat angles C4'-P-C4' energy: -24.703
flat angles P-C4'-P energy: -19.471
tors. eta vs tors. theta energy: -24.597
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: 5, replica: 2
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -292.348302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.348302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.348302 (E_RNA)
where:
Base-Base interactions energy: -195.303
where: short stacking energy: -94.808
Base-Backbone interact. energy: -0.867
local terms energy: -96.178473
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -20.765
flat angles C4'-P-C4' energy: -23.476
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -24.390
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: 8
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -264.363917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.363917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.363917 (E_RNA)
where:
Base-Base interactions energy: -175.351
where: short stacking energy: -80.717
Base-Backbone interact. energy: -0.238
local terms energy: -88.774881
where:
bonds (distance) C4'-P energy: -22.063
bonds (distance) P-C4' energy: -22.568
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -15.116
tors. eta vs tors. theta energy: -15.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -157.603042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.603042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.603042 (E_RNA)
where:
Base-Base interactions energy: -84.579
where: short stacking energy: -51.997
Base-Backbone interact. energy: -0.149
local terms energy: -72.875320
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -19.366
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -6.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -113.909857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.909857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.909857 (E_RNA)
where:
Base-Base interactions energy: -45.245
where: short stacking energy: -37.997
Base-Backbone interact. energy: 0.028
local terms energy: -68.692791
where:
bonds (distance) C4'-P energy: -20.654
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -18.813
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -2.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -121.918313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.918313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.918313 (E_RNA)
where:
Base-Base interactions energy: -53.527
where: short stacking energy: -36.221
Base-Backbone interact. energy: -0.098
local terms energy: -68.294086
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -6.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -103.799247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.799247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.799247 (E_RNA)
where:
Base-Base interactions energy: -36.705
where: short stacking energy: -30.467
Base-Backbone interact. energy: -0.173
local terms energy: -66.921016
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -25.346
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -3.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -393.639591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.639591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.639591 (E_RNA)
where:
Base-Base interactions energy: -280.068
where: short stacking energy: -113.112
Base-Backbone interact. energy: -0.009
local terms energy: -113.562299
where:
bonds (distance) C4'-P energy: -22.998
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -22.343
flat angles P-C4'-P energy: -19.259
tors. eta vs tors. theta energy: -32.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -395.461528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.461528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.461528 (E_RNA)
where:
Base-Base interactions energy: -272.456
where: short stacking energy: -105.707
Base-Backbone interact. energy: -0.680
local terms energy: -122.325740
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -23.576
flat angles C4'-P-C4' energy: -25.707
flat angles P-C4'-P energy: -17.871
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: 3, replica: 4
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -344.612460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.612460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.612460 (E_RNA)
where:
Base-Base interactions energy: -237.014
where: short stacking energy: -97.387
Base-Backbone interact. energy: -0.098
local terms energy: -107.499671
where:
bonds (distance) C4'-P energy: -14.291
bonds (distance) P-C4' energy: -23.596
flat angles C4'-P-C4' energy: -20.977
flat angles P-C4'-P energy: -18.066
tors. eta vs tors. theta energy: -30.570
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: 3
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -320.054305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.054305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.054305 (E_RNA)
where:
Base-Base interactions energy: -212.215
where: short stacking energy: -84.082
Base-Backbone interact. energy: -0.771
local terms energy: -107.068576
where:
bonds (distance) C4'-P energy: -21.542
bonds (distance) P-C4' energy: -18.624
flat angles C4'-P-C4' energy: -23.340
flat angles P-C4'-P energy: -16.054
tors. eta vs tors. theta energy: -27.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -284.308154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.308154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.308154 (E_RNA)
where:
Base-Base interactions energy: -192.877
where: short stacking energy: -86.470
Base-Backbone interact. energy: -0.175
local terms energy: -91.256975
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -19.719
tors. eta vs tors. theta energy: -21.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -254.262588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.262588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.262588 (E_RNA)
where:
Base-Base interactions energy: -173.440
where: short stacking energy: -73.158
Base-Backbone interact. energy: -0.485
local terms energy: -80.337692
where:
bonds (distance) C4'-P energy: -17.750
bonds (distance) P-C4' energy: -23.371
flat angles C4'-P-C4' energy: -9.084
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -17.791
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: 6
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -172.854348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.854348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.854348 (E_RNA)
where:
Base-Base interactions energy: -76.513
where: short stacking energy: -47.174
Base-Backbone interact. energy: -0.104
local terms energy: -96.237262
where:
bonds (distance) C4'-P energy: -23.273
bonds (distance) P-C4' energy: -24.994
flat angles C4'-P-C4' energy: -19.168
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -14.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -117.902378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.902378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.902378 (E_RNA)
where:
Base-Base interactions energy: -48.244
where: short stacking energy: -33.992
Base-Backbone interact. energy: -0.705
local terms energy: -68.952802
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -2.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -117.275791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.275791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.275791 (E_RNA)
where:
Base-Base interactions energy: -40.804
where: short stacking energy: -39.744
Base-Backbone interact. energy: -0.263
local terms energy: -76.208214
where:
bonds (distance) C4'-P energy: -17.697
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -19.946
flat angles P-C4'-P energy: -12.119
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: 159
Temperature: 1.350000
Total energy: -103.961527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.961527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.961527 (E_RNA)
where:
Base-Base interactions energy: -23.037
where: short stacking energy: -19.579
Base-Backbone interact. energy: -1.366
local terms energy: -79.557893
where:
bonds (distance) C4'-P energy: -20.514
bonds (distance) P-C4' energy: -21.430
flat angles C4'-P-C4' energy: -20.166
flat angles P-C4'-P energy: -14.625
tors. eta vs tors. theta energy: -2.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -396.934076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.934076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.934076 (E_RNA)
where:
Base-Base interactions energy: -277.832
where: short stacking energy: -118.729
Base-Backbone interact. energy: 1.843
local terms energy: -120.945244
where:
bonds (distance) C4'-P energy: -23.754
bonds (distance) P-C4' energy: -19.808
flat angles C4'-P-C4' energy: -24.416
flat angles P-C4'-P energy: -20.067
tors. eta vs tors. theta energy: -32.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -390.056883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.056883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.056883 (E_RNA)
where:
Base-Base interactions energy: -272.602
where: short stacking energy: -110.629
Base-Backbone interact. energy: -0.580
local terms energy: -116.874956
where:
bonds (distance) C4'-P energy: -20.999
bonds (distance) P-C4' energy: -22.115
flat angles C4'-P-C4' energy: -23.994
flat angles P-C4'-P energy: -16.605
tors. eta vs tors. theta energy: -33.162
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: 4
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -346.136040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.136040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.136040 (E_RNA)
where:
Base-Base interactions energy: -241.055
where: short stacking energy: -95.093
Base-Backbone interact. energy: 0.836
local terms energy: -105.917697
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -20.544
flat angles C4'-P-C4' energy: -22.338
flat angles P-C4'-P energy: -15.515
tors. eta vs tors. theta energy: -31.076
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: 4, replica: 3
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -337.891029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.891029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.891029 (E_RNA)
where:
Base-Base interactions energy: -233.327
where: short stacking energy: -97.671
Base-Backbone interact. energy: -0.002
local terms energy: -104.562907
where:
bonds (distance) C4'-P energy: -19.192
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -20.033
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -30.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -280.322294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.322294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.322294 (E_RNA)
where:
Base-Base interactions energy: -190.283
where: short stacking energy: -93.646
Base-Backbone interact. energy: -0.067
local terms energy: -89.972322
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -21.408
flat angles C4'-P-C4' energy: -22.811
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -24.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -250.230501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.230501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.230501 (E_RNA)
where:
Base-Base interactions energy: -150.863
where: short stacking energy: -67.299
Base-Backbone interact. energy: -0.393
local terms energy: -98.974065
where:
bonds (distance) C4'-P energy: -20.366
bonds (distance) P-C4' energy: -22.454
flat angles C4'-P-C4' energy: -25.041
flat angles P-C4'-P energy: -14.103
tors. eta vs tors. theta energy: -17.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -139.412824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.412824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.412824 (E_RNA)
where:
Base-Base interactions energy: -50.667
where: short stacking energy: -50.667
Base-Backbone interact. energy: 0.129
local terms energy: -88.874048
where:
bonds (distance) C4'-P energy: -22.613
bonds (distance) P-C4' energy: -19.747
flat angles C4'-P-C4' energy: -20.596
flat angles P-C4'-P energy: -17.848
tors. eta vs tors. theta energy: -8.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -156.767824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.767824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.767824 (E_RNA)
where:
Base-Base interactions energy: -77.354
where: short stacking energy: -42.247
Base-Backbone interact. energy: -0.477
local terms energy: -78.936744
where:
bonds (distance) C4'-P energy: -20.420
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -21.914
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -8.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -100.280771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.280771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.280771 (E_RNA)
where:
Base-Base interactions energy: -27.508
where: short stacking energy: -27.508
Base-Backbone interact. energy: -0.038
local terms energy: -72.734888
where:
bonds (distance) C4'-P energy: -19.448
bonds (distance) P-C4' energy: -23.243
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -14.378
tors. eta vs tors. theta energy: -2.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -104.126724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.126724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.126724 (E_RNA)
where:
Base-Base interactions energy: -40.520
where: short stacking energy: -40.520
Base-Backbone interact. energy: 0.313
local terms energy: -63.919629
where:
bonds (distance) C4'-P energy: -21.045
bonds (distance) P-C4' energy: -17.537
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -2.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -387.610399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.610399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.610399 (E_RNA)
where:
Base-Base interactions energy: -281.432
where: short stacking energy: -117.178
Base-Backbone interact. energy: -0.005
local terms energy: -106.173085
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -21.910
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -35.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -390.009129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.009129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.009129 (E_RNA)
where:
Base-Base interactions energy: -277.847
where: short stacking energy: -111.840
Base-Backbone interact. energy: -0.009
local terms energy: -112.152632
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -22.982
flat angles C4'-P-C4' energy: -22.772
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: -32.755
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: 3, replica: 4
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -346.948604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.948604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.948604 (E_RNA)
where:
Base-Base interactions energy: -243.339
where: short stacking energy: -97.221
Base-Backbone interact. energy: -0.002
local terms energy: -103.607424
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -25.018
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -32.879
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: 161
Temperature: 1.050000
Total energy: -329.840264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.840264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.840264 (E_RNA)
where:
Base-Base interactions energy: -232.762
where: short stacking energy: -106.605
Base-Backbone interact. energy: -0.111
local terms energy: -96.967281
where:
bonds (distance) C4'-P energy: -19.935
bonds (distance) P-C4' energy: -19.258
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -27.957
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: 5, replica: 2
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -253.014784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.014784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.014784 (E_RNA)
where:
Base-Base interactions energy: -157.158
where: short stacking energy: -74.997
Base-Backbone interact. energy: -0.371
local terms energy: -95.485207
where:
bonds (distance) C4'-P energy: -23.156
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -22.613
flat angles P-C4'-P energy: -16.387
tors. eta vs tors. theta energy: -16.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -232.056542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.056542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.056542 (E_RNA)
where:
Base-Base interactions energy: -155.436
where: short stacking energy: -59.497
Base-Backbone interact. energy: -0.111
local terms energy: -76.508915
where:
bonds (distance) C4'-P energy: -21.388
bonds (distance) P-C4' energy: -19.827
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -7.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -134.392179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.392179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.392179 (E_RNA)
where:
Base-Base interactions energy: -58.298
where: short stacking energy: -40.626
Base-Backbone interact. energy: -0.188
local terms energy: -75.906274
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -20.788
flat angles C4'-P-C4' energy: -20.455
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -6.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -110.765815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.765815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.765815 (E_RNA)
where:
Base-Base interactions energy: -52.097
where: short stacking energy: -36.140
Base-Backbone interact. energy: -0.072
local terms energy: -58.595898
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -3.666
flat angles P-C4'-P energy: -15.013
tors. eta vs tors. theta energy: -5.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -135.342727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.342727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.342727 (E_RNA)
where:
Base-Base interactions energy: -66.698
where: short stacking energy: -47.566
Base-Backbone interact. energy: -0.261
local terms energy: -68.384098
where:
bonds (distance) C4'-P energy: -22.611
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -11.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -106.841499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.841499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.841499 (E_RNA)
where:
Base-Base interactions energy: -40.036
where: short stacking energy: -27.852
Base-Backbone interact. energy: -0.229
local terms energy: -66.576453
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -19.888
flat angles C4'-P-C4' energy: -10.188
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -9.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -398.412664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.412664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.412664 (E_RNA)
where:
Base-Base interactions energy: -279.337
where: short stacking energy: -119.566
Base-Backbone interact. energy: -0.002
local terms energy: -119.073721
where:
bonds (distance) C4'-P energy: -23.642
bonds (distance) P-C4' energy: -23.927
flat angles C4'-P-C4' energy: -24.474
flat angles P-C4'-P energy: -15.376
tors. eta vs tors. theta energy: -31.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -379.462525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.462525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.462525 (E_RNA)
where:
Base-Base interactions energy: -272.728
where: short stacking energy: -106.192
Base-Backbone interact. energy: -0.131
local terms energy: -106.604471
where:
bonds (distance) C4'-P energy: -21.505
bonds (distance) P-C4' energy: -20.173
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -14.199
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: 3, replica: 4
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -345.092708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.092708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.092708 (E_RNA)
where:
Base-Base interactions energy: -231.301
where: short stacking energy: -105.751
Base-Backbone interact. energy: -0.066
local terms energy: -113.725085
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -26.432
flat angles C4'-P-C4' energy: -22.377
flat angles P-C4'-P energy: -14.848
tors. eta vs tors. theta energy: -33.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -301.063592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.063592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.063592 (E_RNA)
where:
Base-Base interactions energy: -201.156
where: short stacking energy: -96.158
Base-Backbone interact. energy: -2.691
local terms energy: -97.216125
where:
bonds (distance) C4'-P energy: -19.004
bonds (distance) P-C4' energy: -20.156
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -15.717
tors. eta vs tors. theta energy: -24.675
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: 8
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -244.597046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.597046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.597046 (E_RNA)
where:
Base-Base interactions energy: -162.054
where: short stacking energy: -72.886
Base-Backbone interact. energy: -0.178
local terms energy: -82.364623
where:
bonds (distance) C4'-P energy: -20.122
bonds (distance) P-C4' energy: -20.247
flat angles C4'-P-C4' energy: -20.938
flat angles P-C4'-P energy: -5.559
tors. eta vs tors. theta energy: -15.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -245.338664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.338664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.338664 (E_RNA)
where:
Base-Base interactions energy: -150.766
where: short stacking energy: -78.293
Base-Backbone interact. energy: -0.461
local terms energy: -94.111257
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -23.330
flat angles C4'-P-C4' energy: -23.860
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -19.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -126.233623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.233623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.233623 (E_RNA)
where:
Base-Base interactions energy: -52.206
where: short stacking energy: -49.193
Base-Backbone interact. energy: -0.891
local terms energy: -73.136459
where:
bonds (distance) C4'-P energy: -21.656
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -18.715
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -126.514002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.514002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.514002 (E_RNA)
where:
Base-Base interactions energy: -47.054
where: short stacking energy: -40.809
Base-Backbone interact. energy: -0.409
local terms energy: -79.051511
where:
bonds (distance) C4'-P energy: -21.488
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -19.942
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -3.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -113.950971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.950971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.950971 (E_RNA)
where:
Base-Base interactions energy: -39.810
where: short stacking energy: -35.993
Base-Backbone interact. energy: -0.367
local terms energy: -73.773903
where:
bonds (distance) C4'-P energy: -23.683
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -18.441
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -2.981
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: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -96.785826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.785826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.785826 (E_RNA)
where:
Base-Base interactions energy: -35.787
where: short stacking energy: -36.508
Base-Backbone interact. energy: -0.363
local terms energy: -60.635968
where:
bonds (distance) C4'-P energy: -19.028
bonds (distance) P-C4' energy: -18.081
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -3.805
tors. eta vs tors. theta energy: -2.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -393.498891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.498891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.498891 (E_RNA)
where:
Base-Base interactions energy: -275.052
where: short stacking energy: -115.791
Base-Backbone interact. energy: 0.054
local terms energy: -118.501018
where:
bonds (distance) C4'-P energy: -22.503
bonds (distance) P-C4' energy: -21.938
flat angles C4'-P-C4' energy: -25.786
flat angles P-C4'-P energy: -16.073
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: 2, replica: 5
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -381.938991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.938991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.938991 (E_RNA)
where:
Base-Base interactions energy: -266.024
where: short stacking energy: -105.288
Base-Backbone interact. energy: -0.008
local terms energy: -115.906800
where:
bonds (distance) C4'-P energy: -21.945
bonds (distance) P-C4' energy: -25.769
flat angles C4'-P-C4' energy: -22.427
flat angles P-C4'-P energy: -13.945
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: 3, replica: 4
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -342.897569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.897569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.897569 (E_RNA)
where:
Base-Base interactions energy: -237.082
where: short stacking energy: -102.734
Base-Backbone interact. energy: 0.003
local terms energy: -105.818599
where:
bonds (distance) C4'-P energy: -19.330
bonds (distance) P-C4' energy: -19.346
flat angles C4'-P-C4' energy: -19.249
flat angles P-C4'-P energy: -17.372
tors. eta vs tors. theta energy: -30.521
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: 3
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -300.983727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.983727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.983727 (E_RNA)
where:
Base-Base interactions energy: -207.117
where: short stacking energy: -98.476
Base-Backbone interact. energy: -0.460
local terms energy: -93.407250
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -18.701
flat angles C4'-P-C4' energy: -20.689
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -27.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -262.806368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.806368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.806368 (E_RNA)
where:
Base-Base interactions energy: -163.884
where: short stacking energy: -72.777
Base-Backbone interact. energy: -0.147
local terms energy: -98.775795
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -23.426
flat angles C4'-P-C4' energy: -22.469
flat angles P-C4'-P energy: -18.252
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: 6, replica: 2
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -249.732870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.732870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.732870 (E_RNA)
where:
Base-Base interactions energy: -158.951
where: short stacking energy: -74.526
Base-Backbone interact. energy: 0.344
local terms energy: -91.126008
where:
bonds (distance) C4'-P energy: -17.979
bonds (distance) P-C4' energy: -19.651
flat angles C4'-P-C4' energy: -21.397
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -19.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -139.445867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.445867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.445867 (E_RNA)
where:
Base-Base interactions energy: -55.078
where: short stacking energy: -53.265
Base-Backbone interact. energy: 2.082
local terms energy: -86.449929
where:
bonds (distance) C4'-P energy: -18.975
bonds (distance) P-C4' energy: -23.346
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -11.645
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: 8, replica: 7
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -137.087007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.087007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.087007 (E_RNA)
where:
Base-Base interactions energy: -70.021
where: short stacking energy: -43.284
Base-Backbone interact. energy: -0.453
local terms energy: -66.613110
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -23.700
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -4.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -107.648676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.648676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.648676 (E_RNA)
where:
Base-Base interactions energy: -36.080
where: short stacking energy: -31.993
Base-Backbone interact. energy: -0.636
local terms energy: -70.932454
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -13.406
tors. eta vs tors. theta energy: -3.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -113.858328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.858328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.858328 (E_RNA)
where:
Base-Base interactions energy: -41.528
where: short stacking energy: -32.666
Base-Backbone interact. energy: 1.302
local terms energy: -73.632836
where:
bonds (distance) C4'-P energy: -20.034
bonds (distance) P-C4' energy: -18.052
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -4.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -392.988257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.988257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.988257 (E_RNA)
where:
Base-Base interactions energy: -272.019
where: short stacking energy: -110.395
Base-Backbone interact. energy: -0.111
local terms energy: -120.858867
where:
bonds (distance) C4'-P energy: -20.100
bonds (distance) P-C4' energy: -24.592
flat angles C4'-P-C4' energy: -25.366
flat angles P-C4'-P energy: -15.663
tors. eta vs tors. theta energy: -35.138
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: 2, replica: 5
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -387.300592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.300592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.300592 (E_RNA)
where:
Base-Base interactions energy: -270.525
where: short stacking energy: -112.590
Base-Backbone interact. energy: -0.102
local terms energy: -116.673406
where:
bonds (distance) C4'-P energy: -21.483
bonds (distance) P-C4' energy: -23.750
flat angles C4'-P-C4' energy: -21.703
flat angles P-C4'-P energy: -14.866
tors. eta vs tors. theta energy: -34.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -336.292385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.292385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.292385 (E_RNA)
where:
Base-Base interactions energy: -232.987
where: short stacking energy: -105.075
Base-Backbone interact. energy: -0.007
local terms energy: -103.298894
where:
bonds (distance) C4'-P energy: -20.044
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -19.960
flat angles P-C4'-P energy: -16.597
tors. eta vs tors. theta energy: -28.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -321.921695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.921695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.921695 (E_RNA)
where:
Base-Base interactions energy: -210.323
where: short stacking energy: -93.813
Base-Backbone interact. energy: 0.047
local terms energy: -111.645587
where:
bonds (distance) C4'-P energy: -22.677
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -23.196
flat angles P-C4'-P energy: -19.929
tors. eta vs tors. theta energy: -28.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -271.262586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.262586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.262586 (E_RNA)
where:
Base-Base interactions energy: -169.906
where: short stacking energy: -92.766
Base-Backbone interact. energy: -0.055
local terms energy: -101.301941
where:
bonds (distance) C4'-P energy: -19.515
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -23.373
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -27.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -232.763957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.763957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.763957 (E_RNA)
where:
Base-Base interactions energy: -144.559
where: short stacking energy: -67.844
Base-Backbone interact. energy: -0.371
local terms energy: -87.833764
where:
bonds (distance) C4'-P energy: -20.766
bonds (distance) P-C4' energy: -17.891
flat angles C4'-P-C4' energy: -20.645
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -16.888
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: 10
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -124.025215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.025215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.025215 (E_RNA)
where:
Base-Base interactions energy: -54.011
where: short stacking energy: -40.913
Base-Backbone interact. energy: -1.501
local terms energy: -68.514102
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -20.348
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -15.129
tors. eta vs tors. theta energy: -4.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -123.664883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.664883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.664883 (E_RNA)
where:
Base-Base interactions energy: -56.110
where: short stacking energy: -29.976
Base-Backbone interact. energy: -1.415
local terms energy: -66.139968
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -17.248
tors. eta vs tors. theta energy: -1.434
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: 9, replica: 1
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -115.710237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.710237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.710237 (E_RNA)
where:
Base-Base interactions energy: -44.967
where: short stacking energy: -38.509
Base-Backbone interact. energy: -0.435
local terms energy: -70.308264
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -19.278
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -4.494
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: 6
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -95.268205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.268205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.268205 (E_RNA)
where:
Base-Base interactions energy: -34.712
where: short stacking energy: -23.853
Base-Backbone interact. energy: 1.077
local terms energy: -61.633052
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -20.961
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: 3.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -392.889522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.889522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.889522 (E_RNA)
where:
Base-Base interactions energy: -278.552
where: short stacking energy: -107.341
Base-Backbone interact. energy: -0.561
local terms energy: -113.775976
where:
bonds (distance) C4'-P energy: -21.983
bonds (distance) P-C4' energy: -23.658
flat angles C4'-P-C4' energy: -20.747
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -34.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -341.849269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.849269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.849269 (E_RNA)
where:
Base-Base interactions energy: -229.311
where: short stacking energy: -105.698
Base-Backbone interact. energy: -0.473
local terms energy: -112.065246
where:
bonds (distance) C4'-P energy: -20.805
bonds (distance) P-C4' energy: -22.316
flat angles C4'-P-C4' energy: -22.601
flat angles P-C4'-P energy: -14.387
tors. eta vs tors. theta energy: -31.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -375.436290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.436290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.436290 (E_RNA)
where:
Base-Base interactions energy: -265.631
where: short stacking energy: -99.740
Base-Backbone interact. energy: -0.481
local terms energy: -109.324737
where:
bonds (distance) C4'-P energy: -18.788
bonds (distance) P-C4' energy: -17.050
flat angles C4'-P-C4' energy: -22.423
flat angles P-C4'-P energy: -17.829
tors. eta vs tors. theta energy: -33.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -326.755520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.755520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.755520 (E_RNA)
where:
Base-Base interactions energy: -231.346
where: short stacking energy: -96.807
Base-Backbone interact. energy: -0.247
local terms energy: -95.163300
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -21.886
flat angles C4'-P-C4' energy: -21.589
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -22.616
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: 8
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -242.072485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.072485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.072485 (E_RNA)
where:
Base-Base interactions energy: -160.128
where: short stacking energy: -74.421
Base-Backbone interact. energy: -0.028
local terms energy: -81.916540
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -19.054
flat angles C4'-P-C4' energy: -19.908
flat angles P-C4'-P energy: -5.613
tors. eta vs tors. theta energy: -20.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -243.904914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.904914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.904914 (E_RNA)
where:
Base-Base interactions energy: -157.421
where: short stacking energy: -74.379
Base-Backbone interact. energy: -0.238
local terms energy: -86.246531
where:
bonds (distance) C4'-P energy: -19.356
bonds (distance) P-C4' energy: -19.586
flat angles C4'-P-C4' energy: -23.132
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -18.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -131.560747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.560747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.560747 (E_RNA)
where:
Base-Base interactions energy: -56.352
where: short stacking energy: -41.497
Base-Backbone interact. energy: -0.128
local terms energy: -75.081630
where:
bonds (distance) C4'-P energy: -21.604
bonds (distance) P-C4' energy: -21.424
flat angles C4'-P-C4' energy: -20.326
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -0.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -129.468964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.468964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.468964 (E_RNA)
where:
Base-Base interactions energy: -59.432
where: short stacking energy: -41.627
Base-Backbone interact. energy: 2.982
local terms energy: -73.019318
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -15.024
flat angles C4'-P-C4' energy: -19.839
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -11.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -118.345898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.345898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.345898 (E_RNA)
where:
Base-Base interactions energy: -50.046
where: short stacking energy: -28.227
Base-Backbone interact. energy: -2.254
local terms energy: -66.045885
where:
bonds (distance) C4'-P energy: -24.130
bonds (distance) P-C4' energy: -18.771
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -4.998
tors. eta vs tors. theta energy: -0.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -100.000253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.000253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.000253 (E_RNA)
where:
Base-Base interactions energy: -38.266
where: short stacking energy: -33.105
Base-Backbone interact. energy: -0.333
local terms energy: -61.401469
where:
bonds (distance) C4'-P energy: -18.941
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -10.298
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: 2.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -394.851839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.851839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.851839 (E_RNA)
where:
Base-Base interactions energy: -280.722
where: short stacking energy: -112.627
Base-Backbone interact. energy: -0.003
local terms energy: -114.127039
where:
bonds (distance) C4'-P energy: -19.895
bonds (distance) P-C4' energy: -23.246
flat angles C4'-P-C4' energy: -24.401
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -34.051
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: 4
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -337.444117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.444117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.444117 (E_RNA)
where:
Base-Base interactions energy: -225.707
where: short stacking energy: -99.278
Base-Backbone interact. energy: -0.024
local terms energy: -111.712603
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -23.960
flat angles P-C4'-P energy: -17.551
tors. eta vs tors. theta energy: -33.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -386.976297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.976297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.976297 (E_RNA)
where:
Base-Base interactions energy: -273.092
where: short stacking energy: -112.153
Base-Backbone interact. energy: -0.587
local terms energy: -113.297606
where:
bonds (distance) C4'-P energy: -18.338
bonds (distance) P-C4' energy: -23.111
flat angles C4'-P-C4' energy: -22.135
flat angles P-C4'-P energy: -15.983
tors. eta vs tors. theta energy: -33.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -281.861550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.861550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.861550 (E_RNA)
where:
Base-Base interactions energy: -190.364
where: short stacking energy: -87.892
Base-Backbone interact. energy: -1.222
local terms energy: -90.276123
where:
bonds (distance) C4'-P energy: -20.921
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -18.838
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -23.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -237.326736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.326736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.326736 (E_RNA)
where:
Base-Base interactions energy: -135.925
where: short stacking energy: -75.740
Base-Backbone interact. energy: -0.399
local terms energy: -101.003026
where:
bonds (distance) C4'-P energy: -18.218
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -24.638
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -23.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -245.691304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.691304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.691304 (E_RNA)
where:
Base-Base interactions energy: -163.031
where: short stacking energy: -84.927
Base-Backbone interact. energy: 2.421
local terms energy: -85.080492
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -23.196
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -21.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -129.955629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.955629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.955629 (E_RNA)
where:
Base-Base interactions energy: -66.008
where: short stacking energy: -58.497
Base-Backbone interact. energy: -0.028
local terms energy: -63.919060
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -10.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -109.625833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.625833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.625833 (E_RNA)
where:
Base-Base interactions energy: -44.775
where: short stacking energy: -44.775
Base-Backbone interact. energy: -0.258
local terms energy: -64.592925
where:
bonds (distance) C4'-P energy: -20.205
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -20.696
flat angles P-C4'-P energy: -3.752
tors. eta vs tors. theta energy: -3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -126.846435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.846435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.846435 (E_RNA)
where:
Base-Base interactions energy: -64.758
where: short stacking energy: -38.474
Base-Backbone interact. energy: -0.865
local terms energy: -61.224068
where:
bonds (distance) C4'-P energy: -20.842
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -0.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -102.519173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.519173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.519173 (E_RNA)
where:
Base-Base interactions energy: -41.913
where: short stacking energy: -33.944
Base-Backbone interact. energy: -0.199
local terms energy: -60.407167
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: 1.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -395.084596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.084596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.084596 (E_RNA)
where:
Base-Base interactions energy: -277.213
where: short stacking energy: -109.539
Base-Backbone interact. energy: 0.435
local terms energy: -118.306359
where:
bonds (distance) C4'-P energy: -20.279
bonds (distance) P-C4' energy: -25.563
flat angles C4'-P-C4' energy: -21.341
flat angles P-C4'-P energy: -18.319
tors. eta vs tors. theta energy: -32.806
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: 5
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -382.232613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.232613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.232613 (E_RNA)
where:
Base-Base interactions energy: -264.206
where: short stacking energy: -108.042
Base-Backbone interact. energy: -0.028
local terms energy: -117.998204
where:
bonds (distance) C4'-P energy: -22.953
bonds (distance) P-C4' energy: -25.089
flat angles C4'-P-C4' energy: -21.853
flat angles P-C4'-P energy: -15.502
tors. eta vs tors. theta energy: -32.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -329.261615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.261615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.261615 (E_RNA)
where:
Base-Base interactions energy: -236.223
where: short stacking energy: -95.863
Base-Backbone interact. energy: -0.205
local terms energy: -92.833713
where:
bonds (distance) C4'-P energy: -21.274
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -19.104
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -25.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -313.231753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.231753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.231753 (E_RNA)
where:
Base-Base interactions energy: -209.335
where: short stacking energy: -94.127
Base-Backbone interact. energy: -1.037
local terms energy: -102.859618
where:
bonds (distance) C4'-P energy: -20.187
bonds (distance) P-C4' energy: -17.965
flat angles C4'-P-C4' energy: -23.091
flat angles P-C4'-P energy: -16.998
tors. eta vs tors. theta energy: -24.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -258.143371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.143371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.143371 (E_RNA)
where:
Base-Base interactions energy: -173.705
where: short stacking energy: -67.422
Base-Backbone interact. energy: 0.213
local terms energy: -84.651297
where:
bonds (distance) C4'-P energy: -21.058
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -14.621
tors. eta vs tors. theta energy: -19.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -245.171882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.171882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.171882 (E_RNA)
where:
Base-Base interactions energy: -158.249
where: short stacking energy: -77.324
Base-Backbone interact. energy: -0.396
local terms energy: -86.526723
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -19.940
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -18.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -125.273944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.273944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.273944 (E_RNA)
where:
Base-Base interactions energy: -48.353
where: short stacking energy: -45.740
Base-Backbone interact. energy: -0.762
local terms energy: -76.158992
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -20.797
flat angles C4'-P-C4' energy: -18.907
flat angles P-C4'-P energy: -12.120
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: 8, replica: 1
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -135.140499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.140499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.140499 (E_RNA)
where:
Base-Base interactions energy: -58.507
where: short stacking energy: -43.388
Base-Backbone interact. energy: -1.038
local terms energy: -75.595931
where:
bonds (distance) C4'-P energy: -24.331
bonds (distance) P-C4' energy: -21.184
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -1.372
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: 6
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -114.167945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.167945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.167945 (E_RNA)
where:
Base-Base interactions energy: -41.588
where: short stacking energy: -39.094
Base-Backbone interact. energy: -0.202
local terms energy: -72.378043
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -22.448
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -1.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -96.682637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.682637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.682637 (E_RNA)
where:
Base-Base interactions energy: -39.834
where: short stacking energy: -34.729
Base-Backbone interact. energy: -0.330
local terms energy: -56.519088
where:
bonds (distance) C4'-P energy: -18.746
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: 2.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -393.606264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.606264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.606264 (E_RNA)
where:
Base-Base interactions energy: -279.974
where: short stacking energy: -110.088
Base-Backbone interact. energy: -0.326
local terms energy: -113.305987
where:
bonds (distance) C4'-P energy: -22.977
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -24.838
flat angles P-C4'-P energy: -13.385
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: 2, replica: 5
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -379.212567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.212567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.212567 (E_RNA)
where:
Base-Base interactions energy: -270.862
where: short stacking energy: -114.839
Base-Backbone interact. energy: -0.082
local terms energy: -108.268218
where:
bonds (distance) C4'-P energy: -21.603
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -23.077
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -32.064
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: 3
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -327.425099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.425099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.425099 (E_RNA)
where:
Base-Base interactions energy: -219.082
where: short stacking energy: -95.568
Base-Backbone interact. energy: 1.065
local terms energy: -109.408191
where:
bonds (distance) C4'-P energy: -17.417
bonds (distance) P-C4' energy: -23.887
flat angles C4'-P-C4' energy: -22.767
flat angles P-C4'-P energy: -15.239
tors. eta vs tors. theta energy: -30.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -296.708195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.708195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.708195 (E_RNA)
where:
Base-Base interactions energy: -192.708
where: short stacking energy: -92.275
Base-Backbone interact. energy: -0.011
local terms energy: -103.989078
where:
bonds (distance) C4'-P energy: -19.795
bonds (distance) P-C4' energy: -22.602
flat angles C4'-P-C4' energy: -18.882
flat angles P-C4'-P energy: -17.031
tors. eta vs tors. theta energy: -25.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -283.457973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.457973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.457973 (E_RNA)
where:
Base-Base interactions energy: -186.152
where: short stacking energy: -78.503
Base-Backbone interact. energy: -0.138
local terms energy: -97.168291
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -23.033
flat angles C4'-P-C4' energy: -22.623
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -21.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -242.236396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.236396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.236396 (E_RNA)
where:
Base-Base interactions energy: -140.059
where: short stacking energy: -74.939
Base-Backbone interact. energy: -0.032
local terms energy: -102.145785
where:
bonds (distance) C4'-P energy: -18.797
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -22.887
flat angles P-C4'-P energy: -16.234
tors. eta vs tors. theta energy: -22.351
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: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -123.677003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.677003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.677003 (E_RNA)
where:
Base-Base interactions energy: -44.559
where: short stacking energy: -43.788
Base-Backbone interact. energy: 0.589
local terms energy: -79.706992
where:
bonds (distance) C4'-P energy: -21.223
bonds (distance) P-C4' energy: -23.278
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -8.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -121.667015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.667015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.667015 (E_RNA)
where:
Base-Base interactions energy: -66.981
where: short stacking energy: -41.442
Base-Backbone interact. energy: -0.371
local terms energy: -54.314937
where:
bonds (distance) C4'-P energy: -18.243
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -7.686
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: 1.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -117.371785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.371785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.371785 (E_RNA)
where:
Base-Base interactions energy: -46.811
where: short stacking energy: -45.274
Base-Backbone interact. energy: -0.221
local terms energy: -70.340195
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -20.565
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -3.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -95.049226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.049226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.049226 (E_RNA)
where:
Base-Base interactions energy: -30.841
where: short stacking energy: -21.487
Base-Backbone interact. energy: -0.277
local terms energy: -63.932098
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -20.902
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -1.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -391.005904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.005904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.005904 (E_RNA)
where:
Base-Base interactions energy: -280.585
where: short stacking energy: -112.811
Base-Backbone interact. energy: -0.007
local terms energy: -110.414587
where:
bonds (distance) C4'-P energy: -20.632
bonds (distance) P-C4' energy: -20.307
flat angles C4'-P-C4' energy: -23.383
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -32.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -389.801025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.801025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.801025 (E_RNA)
where:
Base-Base interactions energy: -270.484
where: short stacking energy: -110.324
Base-Backbone interact. energy: -0.105
local terms energy: -119.211470
where:
bonds (distance) C4'-P energy: -24.249
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -23.270
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -35.132
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: 3
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -325.189447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.189447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.189447 (E_RNA)
where:
Base-Base interactions energy: -223.201
where: short stacking energy: -104.455
Base-Backbone interact. energy: 1.199
local terms energy: -103.187635
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -19.020
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: -30.614
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: 2
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -299.630824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.630824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.630824 (E_RNA)
where:
Base-Base interactions energy: -206.064
where: short stacking energy: -78.069
Base-Backbone interact. energy: -0.064
local terms energy: -93.502761
where:
bonds (distance) C4'-P energy: -19.179
bonds (distance) P-C4' energy: -20.358
flat angles C4'-P-C4' energy: -22.677
flat angles P-C4'-P energy: -15.053
tors. eta vs tors. theta energy: -16.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -306.059235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.059235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.059235 (E_RNA)
where:
Base-Base interactions energy: -207.162
where: short stacking energy: -98.153
Base-Backbone interact. energy: -0.007
local terms energy: -98.890296
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -24.224
flat angles C4'-P-C4' energy: -19.079
flat angles P-C4'-P energy: -13.878
tors. eta vs tors. theta energy: -27.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -271.063188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.063188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.063188 (E_RNA)
where:
Base-Base interactions energy: -173.828
where: short stacking energy: -85.445
Base-Backbone interact. energy: 0.158
local terms energy: -97.393166
where:
bonds (distance) C4'-P energy: -22.052
bonds (distance) P-C4' energy: -18.325
flat angles C4'-P-C4' energy: -23.183
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -23.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -121.350455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.350455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.350455 (E_RNA)
where:
Base-Base interactions energy: -45.346
where: short stacking energy: -44.794
Base-Backbone interact. energy: -0.683
local terms energy: -75.321682
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -25.387
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -4.579
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: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -124.786206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.786206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.786206 (E_RNA)
where:
Base-Base interactions energy: -55.438
where: short stacking energy: -36.803
Base-Backbone interact. energy: -1.952
local terms energy: -67.396693
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -20.347
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -3.215
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: 1
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -105.952254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.952254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.952254 (E_RNA)
where:
Base-Base interactions energy: -46.397
where: short stacking energy: -39.934
Base-Backbone interact. energy: 1.414
local terms energy: -60.969751
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -12.102
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: 10, replica: 7
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -101.033398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.033398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.033398 (E_RNA)
where:
Base-Base interactions energy: -44.717
where: short stacking energy: -33.847
Base-Backbone interact. energy: -0.247
local terms energy: -56.069917
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -23.828
flat angles C4'-P-C4' energy: -18.886
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: 5.684
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: 5
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -393.962723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.962723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.962723 (E_RNA)
where:
Base-Base interactions energy: -275.327
where: short stacking energy: -111.250
Base-Backbone interact. energy: -0.004
local terms energy: -118.631674
where:
bonds (distance) C4'-P energy: -21.156
bonds (distance) P-C4' energy: -23.543
flat angles C4'-P-C4' energy: -24.123
flat angles P-C4'-P energy: -16.594
tors. eta vs tors. theta energy: -33.216
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: 9
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -382.609717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.609717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.609717 (E_RNA)
where:
Base-Base interactions energy: -267.498
where: short stacking energy: -107.909
Base-Backbone interact. energy: -0.110
local terms energy: -115.001098
where:
bonds (distance) C4'-P energy: -25.446
bonds (distance) P-C4' energy: -22.294
flat angles C4'-P-C4' energy: -24.008
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -33.887
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: 3, replica: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -317.950500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.950500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.950500 (E_RNA)
where:
Base-Base interactions energy: -216.073
where: short stacking energy: -86.725
Base-Backbone interact. energy: -0.084
local terms energy: -101.793169
where:
bonds (distance) C4'-P energy: -21.661
bonds (distance) P-C4' energy: -25.074
flat angles C4'-P-C4' energy: -21.037
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -21.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -321.919812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.919812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.919812 (E_RNA)
where:
Base-Base interactions energy: -211.911
where: short stacking energy: -90.192
Base-Backbone interact. energy: -0.012
local terms energy: -109.997309
where:
bonds (distance) C4'-P energy: -23.798
bonds (distance) P-C4' energy: -20.861
flat angles C4'-P-C4' energy: -21.792
flat angles P-C4'-P energy: -15.726
tors. eta vs tors. theta energy: -27.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -295.813107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.813107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.813107 (E_RNA)
where:
Base-Base interactions energy: -198.626
where: short stacking energy: -87.881
Base-Backbone interact. energy: -0.010
local terms energy: -97.177063
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -22.907
flat angles C4'-P-C4' energy: -18.593
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -28.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -252.904547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.904547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.904547 (E_RNA)
where:
Base-Base interactions energy: -174.005
where: short stacking energy: -63.069
Base-Backbone interact. energy: -0.247
local terms energy: -78.653460
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -15.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -126.454191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.454191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.454191 (E_RNA)
where:
Base-Base interactions energy: -59.974
where: short stacking energy: -40.949
Base-Backbone interact. energy: -0.096
local terms energy: -66.383905
where:
bonds (distance) C4'-P energy: -21.615
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -6.786
tors. eta vs tors. theta energy: -6.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -103.569429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.569429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.569429 (E_RNA)
where:
Base-Base interactions energy: -35.080
where: short stacking energy: -30.660
Base-Backbone interact. energy: -1.244
local terms energy: -67.245947
where:
bonds (distance) C4'-P energy: -23.174
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -5.043
tors. eta vs tors. theta energy: -1.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -110.695704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.695704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.695704 (E_RNA)
where:
Base-Base interactions energy: -36.902
where: short stacking energy: -36.902
Base-Backbone interact. energy: -0.435
local terms energy: -73.358371
where:
bonds (distance) C4'-P energy: -21.236
bonds (distance) P-C4' energy: -22.666
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -5.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -105.177295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.177295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.177295 (E_RNA)
where:
Base-Base interactions energy: -35.065
where: short stacking energy: -32.176
Base-Backbone interact. energy: -0.209
local terms energy: -69.902744
where:
bonds (distance) C4'-P energy: -20.826
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -5.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -398.624381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.624381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.624381 (E_RNA)
where:
Base-Base interactions energy: -276.603
where: short stacking energy: -112.571
Base-Backbone interact. energy: -0.157
local terms energy: -121.864188
where:
bonds (distance) C4'-P energy: -21.402
bonds (distance) P-C4' energy: -24.998
flat angles C4'-P-C4' energy: -24.787
flat angles P-C4'-P energy: -16.395
tors. eta vs tors. theta energy: -34.281
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: 2, replica: 9
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -377.922132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.922132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.922132 (E_RNA)
where:
Base-Base interactions energy: -264.432
where: short stacking energy: -110.207
Base-Backbone interact. energy: -0.002
local terms energy: -113.488734
where:
bonds (distance) C4'-P energy: -21.887
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -21.059
flat angles P-C4'-P energy: -20.715
tors. eta vs tors. theta energy: -31.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -303.436977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.436977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.436977 (E_RNA)
where:
Base-Base interactions energy: -207.636
where: short stacking energy: -79.161
Base-Backbone interact. energy: -0.586
local terms energy: -95.214633
where:
bonds (distance) C4'-P energy: -20.515
bonds (distance) P-C4' energy: -20.531
flat angles C4'-P-C4' energy: -21.671
flat angles P-C4'-P energy: -15.944
tors. eta vs tors. theta energy: -16.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -328.476647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.476647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.476647 (E_RNA)
where:
Base-Base interactions energy: -220.116
where: short stacking energy: -90.292
Base-Backbone interact. energy: -0.023
local terms energy: -108.337011
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -23.137
flat angles C4'-P-C4' energy: -20.395
flat angles P-C4'-P energy: -18.872
tors. eta vs tors. theta energy: -28.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -301.782620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.782620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.782620 (E_RNA)
where:
Base-Base interactions energy: -193.975
where: short stacking energy: -90.912
Base-Backbone interact. energy: -0.220
local terms energy: -107.587166
where:
bonds (distance) C4'-P energy: -23.007
bonds (distance) P-C4' energy: -19.438
flat angles C4'-P-C4' energy: -23.574
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -29.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -255.521470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.521470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.521470 (E_RNA)
where:
Base-Base interactions energy: -159.324
where: short stacking energy: -89.589
Base-Backbone interact. energy: -0.067
local terms energy: -96.130268
where:
bonds (distance) C4'-P energy: -18.084
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -22.821
flat angles P-C4'-P energy: -15.759
tors. eta vs tors. theta energy: -24.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -130.177971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.177971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.177971 (E_RNA)
where:
Base-Base interactions energy: -59.862
where: short stacking energy: -46.450
Base-Backbone interact. energy: 0.504
local terms energy: -70.820311
where:
bonds (distance) C4'-P energy: -19.073
bonds (distance) P-C4' energy: -12.279
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -9.338
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: 6
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -119.714461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.714461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.714461 (E_RNA)
where:
Base-Base interactions energy: -39.121
where: short stacking energy: -23.164
Base-Backbone interact. energy: -0.169
local terms energy: -80.424031
where:
bonds (distance) C4'-P energy: -18.321
bonds (distance) P-C4' energy: -21.066
flat angles C4'-P-C4' energy: -21.025
flat angles P-C4'-P energy: -15.104
tors. eta vs tors. theta energy: -4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -114.864904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.864904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.864904 (E_RNA)
where:
Base-Base interactions energy: -38.142
where: short stacking energy: -34.545
Base-Backbone interact. energy: -0.221
local terms energy: -76.502597
where:
bonds (distance) C4'-P energy: -22.548
bonds (distance) P-C4' energy: -24.023
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -0.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -96.201158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.201158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.201158 (E_RNA)
where:
Base-Base interactions energy: -35.920
where: short stacking energy: -27.196
Base-Backbone interact. energy: -1.123
local terms energy: -59.158268
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -10.047
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: 5
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -391.269665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.269665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.269665 (E_RNA)
where:
Base-Base interactions energy: -278.678
where: short stacking energy: -115.015
Base-Backbone interact. energy: -0.081
local terms energy: -112.510269
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -26.078
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -16.561
tors. eta vs tors. theta energy: -35.235
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: 2, replica: 9
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -386.796052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.796052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.796052 (E_RNA)
where:
Base-Base interactions energy: -273.918
where: short stacking energy: -115.052
Base-Backbone interact. energy: -0.577
local terms energy: -112.301188
where:
bonds (distance) C4'-P energy: -19.762
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -25.847
flat angles P-C4'-P energy: -15.330
tors. eta vs tors. theta energy: -31.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -338.970144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.970144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.970144 (E_RNA)
where:
Base-Base interactions energy: -229.038
where: short stacking energy: -104.149
Base-Backbone interact. energy: -0.197
local terms energy: -109.734945
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -22.400
flat angles C4'-P-C4' energy: -23.386
flat angles P-C4'-P energy: -15.036
tors. eta vs tors. theta energy: -33.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -296.506103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.506103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.506103 (E_RNA)
where:
Base-Base interactions energy: -194.662
where: short stacking energy: -90.978
Base-Backbone interact. energy: -0.075
local terms energy: -101.769164
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -23.023
flat angles C4'-P-C4' energy: -22.032
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -26.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -310.467066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.467066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.467066 (E_RNA)
where:
Base-Base interactions energy: -199.560
where: short stacking energy: -108.229
Base-Backbone interact. energy: -0.006
local terms energy: -110.901155
where:
bonds (distance) C4'-P energy: -19.192
bonds (distance) P-C4' energy: -22.990
flat angles C4'-P-C4' energy: -21.733
flat angles P-C4'-P energy: -16.441
tors. eta vs tors. theta energy: -30.546
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: 8
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -248.495637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.495637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.495637 (E_RNA)
where:
Base-Base interactions energy: -149.486
where: short stacking energy: -80.526
Base-Backbone interact. energy: -0.221
local terms energy: -98.789029
where:
bonds (distance) C4'-P energy: -17.679
bonds (distance) P-C4' energy: -21.727
flat angles C4'-P-C4' energy: -24.712
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -20.403
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: 6
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -135.191023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.191023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.191023 (E_RNA)
where:
Base-Base interactions energy: -47.889
where: short stacking energy: -38.946
Base-Backbone interact. energy: -1.016
local terms energy: -86.285062
where:
bonds (distance) C4'-P energy: -22.369
bonds (distance) P-C4' energy: -25.107
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -15.316
tors. eta vs tors. theta energy: -5.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -118.044274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.044274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.044274 (E_RNA)
where:
Base-Base interactions energy: -50.920
where: short stacking energy: -37.071
Base-Backbone interact. energy: 0.170
local terms energy: -67.293901
where:
bonds (distance) C4'-P energy: -18.964
bonds (distance) P-C4' energy: -19.018
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -2.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -112.342776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.342776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.342776 (E_RNA)
where:
Base-Base interactions energy: -53.356
where: short stacking energy: -40.388
Base-Backbone interact. energy: -0.517
local terms energy: -58.469639
where:
bonds (distance) C4'-P energy: -17.297
bonds (distance) P-C4' energy: -10.734
flat angles C4'-P-C4' energy: -18.521
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -1.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -110.651513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.651513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.651513 (E_RNA)
where:
Base-Base interactions energy: -54.909
where: short stacking energy: -37.690
Base-Backbone interact. energy: -0.773
local terms energy: -54.969240
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -19.430
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: 2.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -387.567520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.567520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.567520 (E_RNA)
where:
Base-Base interactions energy: -274.973
where: short stacking energy: -109.032
Base-Backbone interact. energy: -0.259
local terms energy: -112.335981
where:
bonds (distance) C4'-P energy: -21.501
bonds (distance) P-C4' energy: -22.166
flat angles C4'-P-C4' energy: -21.598
flat angles P-C4'-P energy: -13.614
tors. eta vs tors. theta energy: -33.457
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: 2, replica: 9
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -390.389854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.389854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.389854 (E_RNA)
where:
Base-Base interactions energy: -265.469
where: short stacking energy: -108.441
Base-Backbone interact. energy: -0.041
local terms energy: -124.879032
where:
bonds (distance) C4'-P energy: -21.766
bonds (distance) P-C4' energy: -24.064
flat angles C4'-P-C4' energy: -26.019
flat angles P-C4'-P energy: -20.042
tors. eta vs tors. theta energy: -32.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -333.766453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.766453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.766453 (E_RNA)
where:
Base-Base interactions energy: -229.147
where: short stacking energy: -101.628
Base-Backbone interact. energy: -0.005
local terms energy: -104.615076
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -24.142
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -17.538
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: 4, replica: 4
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -329.998840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.998840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.998840 (E_RNA)
where:
Base-Base interactions energy: -222.927
where: short stacking energy: -94.615
Base-Backbone interact. energy: -0.005
local terms energy: -107.067353
where:
bonds (distance) C4'-P energy: -20.999
bonds (distance) P-C4' energy: -21.676
flat angles C4'-P-C4' energy: -21.383
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -30.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -280.862747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.862747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.862747 (E_RNA)
where:
Base-Base interactions energy: -189.915
where: short stacking energy: -83.512
Base-Backbone interact. energy: -0.114
local terms energy: -90.833423
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -19.463
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -23.704
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: 8
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -236.905836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.905836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.905836 (E_RNA)
where:
Base-Base interactions energy: -149.617
where: short stacking energy: -75.254
Base-Backbone interact. energy: -0.105
local terms energy: -87.184010
where:
bonds (distance) C4'-P energy: -19.670
bonds (distance) P-C4' energy: -20.128
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -18.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -132.761492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.761492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.761492 (E_RNA)
where:
Base-Base interactions energy: -56.488
where: short stacking energy: -47.905
Base-Backbone interact. energy: -0.178
local terms energy: -76.095905
where:
bonds (distance) C4'-P energy: -23.590
bonds (distance) P-C4' energy: -17.419
flat angles C4'-P-C4' energy: -20.116
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -7.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -108.486142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.486142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.486142 (E_RNA)
where:
Base-Base interactions energy: -41.858
where: short stacking energy: -37.195
Base-Backbone interact. energy: -0.651
local terms energy: -65.977608
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -21.213
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -2.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -116.397445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.397445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.397445 (E_RNA)
where:
Base-Base interactions energy: -51.947
where: short stacking energy: -37.735
Base-Backbone interact. energy: -0.204
local terms energy: -64.246425
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -20.812
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -2.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -93.666126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.666126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.666126 (E_RNA)
where:
Base-Base interactions energy: -35.275
where: short stacking energy: -34.282
Base-Backbone interact. energy: -0.445
local terms energy: -57.946058
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -24.188
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: 5.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -391.206884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.206884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.206884 (E_RNA)
where:
Base-Base interactions energy: -275.905
where: short stacking energy: -107.526
Base-Backbone interact. energy: 0.291
local terms energy: -115.593110
where:
bonds (distance) C4'-P energy: -22.863
bonds (distance) P-C4' energy: -22.031
flat angles C4'-P-C4' energy: -23.328
flat angles P-C4'-P energy: -14.153
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: 2, replica: 9
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -385.503670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.503670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.503670 (E_RNA)
where:
Base-Base interactions energy: -270.115
where: short stacking energy: -109.443
Base-Backbone interact. energy: -0.080
local terms energy: -115.308358
where:
bonds (distance) C4'-P energy: -22.589
bonds (distance) P-C4' energy: -21.834
flat angles C4'-P-C4' energy: -25.792
flat angles P-C4'-P energy: -14.505
tors. eta vs tors. theta energy: -30.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -316.233442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.233442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.233442 (E_RNA)
where:
Base-Base interactions energy: -208.228
where: short stacking energy: -97.163
Base-Backbone interact. energy: -0.054
local terms energy: -107.951954
where:
bonds (distance) C4'-P energy: -21.185
bonds (distance) P-C4' energy: -19.097
flat angles C4'-P-C4' energy: -23.378
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -30.251
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: 3
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -322.004445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.004445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.004445 (E_RNA)
where:
Base-Base interactions energy: -212.405
where: short stacking energy: -102.866
Base-Backbone interact. energy: -0.678
local terms energy: -108.921988
where:
bonds (distance) C4'-P energy: -18.834
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -18.916
tors. eta vs tors. theta energy: -35.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -289.974819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.974819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.974819 (E_RNA)
where:
Base-Base interactions energy: -190.008
where: short stacking energy: -96.907
Base-Backbone interact. energy: 1.249
local terms energy: -101.215934
where:
bonds (distance) C4'-P energy: -19.718
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -22.640
flat angles P-C4'-P energy: -16.775
tors. eta vs tors. theta energy: -21.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -240.994160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.994160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.994160 (E_RNA)
where:
Base-Base interactions energy: -147.605
where: short stacking energy: -72.560
Base-Backbone interact. energy: -0.061
local terms energy: -93.327853
where:
bonds (distance) C4'-P energy: -18.543
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -18.887
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: -21.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -121.159244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.159244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.159244 (E_RNA)
where:
Base-Base interactions energy: -46.556
where: short stacking energy: -38.014
Base-Backbone interact. energy: -3.843
local terms energy: -70.760291
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -23.983
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -113.777703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.777703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.777703 (E_RNA)
where:
Base-Base interactions energy: -41.864
where: short stacking energy: -35.689
Base-Backbone interact. energy: -0.294
local terms energy: -71.619721
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -18.491
flat angles C4'-P-C4' energy: -21.264
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -2.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -110.667224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.667224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.667224 (E_RNA)
where:
Base-Base interactions energy: -43.418
where: short stacking energy: -39.123
Base-Backbone interact. energy: -0.240
local terms energy: -67.009228
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -17.511
flat angles C4'-P-C4' energy: -20.843
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -4.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -105.778329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.778329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.778329 (E_RNA)
where:
Base-Base interactions energy: -32.762
where: short stacking energy: -28.580
Base-Backbone interact. energy: -0.425
local terms energy: -72.591198
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -24.078
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -13.967
tors. eta vs tors. theta energy: -4.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -390.530862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.530862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.530862 (E_RNA)
where:
Base-Base interactions energy: -271.446
where: short stacking energy: -113.496
Base-Backbone interact. energy: -0.271
local terms energy: -118.813688
where:
bonds (distance) C4'-P energy: -19.008
bonds (distance) P-C4' energy: -24.716
flat angles C4'-P-C4' energy: -24.989
flat angles P-C4'-P energy: -14.930
tors. eta vs tors. theta energy: -35.171
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: 9
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -381.648392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.648392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.648392 (E_RNA)
where:
Base-Base interactions energy: -271.562
where: short stacking energy: -108.606
Base-Backbone interact. energy: 1.185
local terms energy: -111.271692
where:
bonds (distance) C4'-P energy: -23.831
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -21.004
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: -34.127
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: 4
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -317.431446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.431446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.431446 (E_RNA)
where:
Base-Base interactions energy: -204.393
where: short stacking energy: -91.611
Base-Backbone interact. energy: -0.188
local terms energy: -112.851250
where:
bonds (distance) C4'-P energy: -23.405
bonds (distance) P-C4' energy: -23.008
flat angles C4'-P-C4' energy: -21.911
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -30.777
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: 175
Temperature: 1.050000
Total energy: -327.794984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.794984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.794984 (E_RNA)
where:
Base-Base interactions energy: -231.555
where: short stacking energy: -99.995
Base-Backbone interact. energy: -0.078
local terms energy: -96.161429
where:
bonds (distance) C4'-P energy: -18.041
bonds (distance) P-C4' energy: -22.608
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -29.771
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: 5, replica: 2
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -290.732538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.732538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.732538 (E_RNA)
where:
Base-Base interactions energy: -196.021
where: short stacking energy: -87.639
Base-Backbone interact. energy: -0.597
local terms energy: -94.114386
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -19.529
flat angles C4'-P-C4' energy: -20.979
flat angles P-C4'-P energy: -14.215
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: 6, replica: 8
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -254.568892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.568892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.568892 (E_RNA)
where:
Base-Base interactions energy: -152.452
where: short stacking energy: -79.766
Base-Backbone interact. energy: -0.307
local terms energy: -101.809123
where:
bonds (distance) C4'-P energy: -22.882
bonds (distance) P-C4' energy: -21.282
flat angles C4'-P-C4' energy: -20.701
flat angles P-C4'-P energy: -14.678
tors. eta vs tors. theta energy: -22.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -123.125706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.125706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.125706 (E_RNA)
where:
Base-Base interactions energy: -50.993
where: short stacking energy: -50.239
Base-Backbone interact. energy: -1.068
local terms energy: -71.064312
where:
bonds (distance) C4'-P energy: -21.007
bonds (distance) P-C4' energy: -23.090
flat angles C4'-P-C4' energy: -7.357
flat angles P-C4'-P energy: -13.614
tors. eta vs tors. theta energy: -5.997
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: 1
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -126.534181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.534181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.534181 (E_RNA)
where:
Base-Base interactions energy: -47.695
where: short stacking energy: -47.329
Base-Backbone interact. energy: -0.111
local terms energy: -78.728658
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -21.640
flat angles C4'-P-C4' energy: -18.750
flat angles P-C4'-P energy: -15.140
tors. eta vs tors. theta energy: -10.372
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: 175
Temperature: 1.300000
Total energy: -114.150102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.150102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.150102 (E_RNA)
where:
Base-Base interactions energy: -46.868
where: short stacking energy: -46.868
Base-Backbone interact. energy: -0.035
local terms energy: -67.246350
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -18.270
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -8.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -106.601583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.601583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.601583 (E_RNA)
where:
Base-Base interactions energy: -45.240
where: short stacking energy: -34.406
Base-Backbone interact. energy: 1.065
local terms energy: -62.426075
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -20.359
flat angles C4'-P-C4' energy: -10.500
flat angles P-C4'-P energy: -15.228
tors. eta vs tors. theta energy: -2.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -397.129276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.129276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.129276 (E_RNA)
where:
Base-Base interactions energy: -275.352
where: short stacking energy: -110.867
Base-Backbone interact. energy: -0.051
local terms energy: -121.725674
where:
bonds (distance) C4'-P energy: -20.965
bonds (distance) P-C4' energy: -23.373
flat angles C4'-P-C4' energy: -26.980
flat angles P-C4'-P energy: -16.392
tors. eta vs tors. theta energy: -34.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -388.153270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.153270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.153270 (E_RNA)
where:
Base-Base interactions energy: -270.157
where: short stacking energy: -112.906
Base-Backbone interact. energy: -0.100
local terms energy: -117.896716
where:
bonds (distance) C4'-P energy: -23.802
bonds (distance) P-C4' energy: -23.052
flat angles C4'-P-C4' energy: -21.939
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -35.923
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: 4
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -326.916220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.916220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.916220 (E_RNA)
where:
Base-Base interactions energy: -222.639
where: short stacking energy: -90.229
Base-Backbone interact. energy: -0.302
local terms energy: -103.974912
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -23.113
flat angles C4'-P-C4' energy: -20.532
flat angles P-C4'-P energy: -15.725
tors. eta vs tors. theta energy: -27.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -307.281463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.281463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.281463 (E_RNA)
where:
Base-Base interactions energy: -205.797
where: short stacking energy: -91.164
Base-Backbone interact. energy: -0.427
local terms energy: -101.056994
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -20.279
flat angles P-C4'-P energy: -16.343
tors. eta vs tors. theta energy: -29.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -288.645842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.645842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.645842 (E_RNA)
where:
Base-Base interactions energy: -192.359
where: short stacking energy: -81.936
Base-Backbone interact. energy: -0.398
local terms energy: -95.888201
where:
bonds (distance) C4'-P energy: -23.877
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -14.602
tors. eta vs tors. theta energy: -21.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -249.009694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.009694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.009694 (E_RNA)
where:
Base-Base interactions energy: -157.355
where: short stacking energy: -73.726
Base-Backbone interact. energy: 0.402
local terms energy: -92.056884
where:
bonds (distance) C4'-P energy: -21.238
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -23.369
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -17.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -163.963784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.963784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.963784 (E_RNA)
where:
Base-Base interactions energy: -86.827
where: short stacking energy: -58.081
Base-Backbone interact. energy: 0.063
local terms energy: -77.199996
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -23.489
flat angles C4'-P-C4' energy: -19.539
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -8.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -126.530746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.530746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.530746 (E_RNA)
where:
Base-Base interactions energy: -48.307
where: short stacking energy: -40.269
Base-Backbone interact. energy: -0.169
local terms energy: -78.055039
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -21.034
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -15.152
tors. eta vs tors. theta energy: -5.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -108.505491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.505491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.505491 (E_RNA)
where:
Base-Base interactions energy: -49.929
where: short stacking energy: -42.748
Base-Backbone interact. energy: -0.122
local terms energy: -58.454222
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -4.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -94.615197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.615197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.615197 (E_RNA)
where:
Base-Base interactions energy: -36.062
where: short stacking energy: -25.351
Base-Backbone interact. energy: 1.488
local terms energy: -60.041012
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -0.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -391.811755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.811755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.811755 (E_RNA)
where:
Base-Base interactions energy: -276.687
where: short stacking energy: -115.584
Base-Backbone interact. energy: -0.073
local terms energy: -115.051461
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -20.042
flat angles C4'-P-C4' energy: -25.482
flat angles P-C4'-P energy: -16.926
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: 2, replica: 5
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -387.537647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.537647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.537647 (E_RNA)
where:
Base-Base interactions energy: -269.460
where: short stacking energy: -105.887
Base-Backbone interact. energy: -0.014
local terms energy: -118.064364
where:
bonds (distance) C4'-P energy: -23.426
bonds (distance) P-C4' energy: -21.222
flat angles C4'-P-C4' energy: -25.212
flat angles P-C4'-P energy: -15.147
tors. eta vs tors. theta energy: -33.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -342.302136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.302136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.302136 (E_RNA)
where:
Base-Base interactions energy: -231.349
where: short stacking energy: -101.323
Base-Backbone interact. energy: -0.001
local terms energy: -110.952018
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -20.895
flat angles C4'-P-C4' energy: -22.618
flat angles P-C4'-P energy: -19.091
tors. eta vs tors. theta energy: -30.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -296.873130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.873130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.873130 (E_RNA)
where:
Base-Base interactions energy: -201.661
where: short stacking energy: -83.910
Base-Backbone interact. energy: -0.576
local terms energy: -94.635450
where:
bonds (distance) C4'-P energy: -21.893
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -19.505
flat angles P-C4'-P energy: -17.066
tors. eta vs tors. theta energy: -15.612
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: 5, replica: 3
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -295.605521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.605521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.605521 (E_RNA)
where:
Base-Base interactions energy: -192.984
where: short stacking energy: -90.564
Base-Backbone interact. energy: -0.015
local terms energy: -102.606234
where:
bonds (distance) C4'-P energy: -18.880
bonds (distance) P-C4' energy: -18.264
flat angles C4'-P-C4' energy: -24.399
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -29.625
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: 177
Temperature: 1.150000
Total energy: -267.939451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.939451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.939451 (E_RNA)
where:
Base-Base interactions energy: -171.938
where: short stacking energy: -73.559
Base-Backbone interact. energy: -0.121
local terms energy: -95.881243
where:
bonds (distance) C4'-P energy: -18.532
bonds (distance) P-C4' energy: -21.131
flat angles C4'-P-C4' energy: -21.617
flat angles P-C4'-P energy: -13.881
tors. eta vs tors. theta energy: -20.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -150.062875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.062875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.062875 (E_RNA)
where:
Base-Base interactions energy: -73.231
where: short stacking energy: -44.622
Base-Backbone interact. energy: -0.686
local terms energy: -76.145879
where:
bonds (distance) C4'-P energy: -22.889
bonds (distance) P-C4' energy: -19.737
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -7.736
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: 8, replica: 6
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -117.152282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.152282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.152282 (E_RNA)
where:
Base-Base interactions energy: -45.295
where: short stacking energy: -43.846
Base-Backbone interact. energy: -0.265
local terms energy: -71.592950
where:
bonds (distance) C4'-P energy: -19.368
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -9.175
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: 7
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -104.747386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.747386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.747386 (E_RNA)
where:
Base-Base interactions energy: -44.938
where: short stacking energy: -41.020
Base-Backbone interact. energy: 0.324
local terms energy: -60.134196
where:
bonds (distance) C4'-P energy: -20.445
bonds (distance) P-C4' energy: -17.306
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -0.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -116.964877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.964877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.964877 (E_RNA)
where:
Base-Base interactions energy: -51.155
where: short stacking energy: -43.501
Base-Backbone interact. energy: -0.029
local terms energy: -65.780991
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -4.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -387.909191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.909191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.909191 (E_RNA)
where:
Base-Base interactions energy: -266.972
where: short stacking energy: -113.495
Base-Backbone interact. energy: -0.300
local terms energy: -120.637566
where:
bonds (distance) C4'-P energy: -23.868
bonds (distance) P-C4' energy: -20.967
flat angles C4'-P-C4' energy: -25.634
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -35.886
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: 9
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -392.292637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.292637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.292637 (E_RNA)
where:
Base-Base interactions energy: -273.209
where: short stacking energy: -110.875
Base-Backbone interact. energy: -0.107
local terms energy: -118.976548
where:
bonds (distance) C4'-P energy: -20.966
bonds (distance) P-C4' energy: -22.127
flat angles C4'-P-C4' energy: -24.806
flat angles P-C4'-P energy: -17.354
tors. eta vs tors. theta energy: -33.723
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: 3, replica: 4
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -339.060402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.060402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.060402 (E_RNA)
where:
Base-Base interactions energy: -229.807
where: short stacking energy: -101.744
Base-Backbone interact. energy: -0.064
local terms energy: -109.189676
where:
bonds (distance) C4'-P energy: -20.266
bonds (distance) P-C4' energy: -19.943
flat angles C4'-P-C4' energy: -20.635
flat angles P-C4'-P energy: -18.595
tors. eta vs tors. theta energy: -29.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -305.975987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.975987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.975987 (E_RNA)
where:
Base-Base interactions energy: -203.401
where: short stacking energy: -94.800
Base-Backbone interact. energy: -0.326
local terms energy: -102.249612
where:
bonds (distance) C4'-P energy: -18.736
bonds (distance) P-C4' energy: -23.353
flat angles C4'-P-C4' energy: -21.774
flat angles P-C4'-P energy: -15.930
tors. eta vs tors. theta energy: -22.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -305.965782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.965782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.965782 (E_RNA)
where:
Base-Base interactions energy: -202.258
where: short stacking energy: -99.241
Base-Backbone interact. energy: -0.307
local terms energy: -103.400607
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -20.545
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -17.229
tors. eta vs tors. theta energy: -28.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -237.441271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.441271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.441271 (E_RNA)
where:
Base-Base interactions energy: -145.330
where: short stacking energy: -79.690
Base-Backbone interact. energy: -0.426
local terms energy: -91.685586
where:
bonds (distance) C4'-P energy: -17.242
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -17.980
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: 7, replica: 1
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -156.633368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.633368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.633368 (E_RNA)
where:
Base-Base interactions energy: -79.177
where: short stacking energy: -53.567
Base-Backbone interact. energy: -0.599
local terms energy: -76.858008
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -21.304
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -10.837
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: 8, replica: 6
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -131.795747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.795747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.795747 (E_RNA)
where:
Base-Base interactions energy: -51.787
where: short stacking energy: -49.027
Base-Backbone interact. energy: -0.125
local terms energy: -79.883846
where:
bonds (distance) C4'-P energy: -23.093
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -18.707
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: -8.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -119.213400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.213400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.213400 (E_RNA)
where:
Base-Base interactions energy: -58.325
where: short stacking energy: -44.845
Base-Backbone interact. energy: -0.068
local terms energy: -60.820463
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -3.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -99.708984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.708984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.708984 (E_RNA)
where:
Base-Base interactions energy: -30.555
where: short stacking energy: -24.718
Base-Backbone interact. energy: 0.420
local terms energy: -69.573694
where:
bonds (distance) C4'-P energy: -21.946
bonds (distance) P-C4' energy: -23.098
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -0.763
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: 1, replica: 5
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -387.148125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.148125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.148125 (E_RNA)
where:
Base-Base interactions energy: -268.002
where: short stacking energy: -109.256
Base-Backbone interact. energy: -0.006
local terms energy: -119.140202
where:
bonds (distance) C4'-P energy: -22.837
bonds (distance) P-C4' energy: -21.803
flat angles C4'-P-C4' energy: -27.736
flat angles P-C4'-P energy: -14.172
tors. eta vs tors. theta energy: -32.593
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: 2, replica: 9
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -386.734113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.734113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.734113 (E_RNA)
where:
Base-Base interactions energy: -268.210
where: short stacking energy: -110.289
Base-Backbone interact. energy: -0.195
local terms energy: -118.329200
where:
bonds (distance) C4'-P energy: -23.263
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -27.323
flat angles P-C4'-P energy: -17.033
tors. eta vs tors. theta energy: -31.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -341.543603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.543603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.543603 (E_RNA)
where:
Base-Base interactions energy: -224.645
where: short stacking energy: -93.270
Base-Backbone interact. energy: -0.502
local terms energy: -116.395969
where:
bonds (distance) C4'-P energy: -23.798
bonds (distance) P-C4' energy: -25.339
flat angles C4'-P-C4' energy: -20.746
flat angles P-C4'-P energy: -16.157
tors. eta vs tors. theta energy: -30.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -321.128818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.128818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.128818 (E_RNA)
where:
Base-Base interactions energy: -212.513
where: short stacking energy: -88.442
Base-Backbone interact. energy: -0.058
local terms energy: -108.557354
where:
bonds (distance) C4'-P energy: -19.257
bonds (distance) P-C4' energy: -22.678
flat angles C4'-P-C4' energy: -24.614
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -28.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -293.922526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.922526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.922526 (E_RNA)
where:
Base-Base interactions energy: -194.256
where: short stacking energy: -95.671
Base-Backbone interact. energy: -1.039
local terms energy: -98.627246
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -23.626
flat angles C4'-P-C4' energy: -20.066
flat angles P-C4'-P energy: -16.999
tors. eta vs tors. theta energy: -20.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -266.262432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.262432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.262432 (E_RNA)
where:
Base-Base interactions energy: -169.087
where: short stacking energy: -86.226
Base-Backbone interact. energy: -0.109
local terms energy: -97.066737
where:
bonds (distance) C4'-P energy: -18.321
bonds (distance) P-C4' energy: -20.660
flat angles C4'-P-C4' energy: -20.013
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -24.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -128.811916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.811916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.811916 (E_RNA)
where:
Base-Base interactions energy: -53.531
where: short stacking energy: -44.917
Base-Backbone interact. energy: 1.754
local terms energy: -77.034319
where:
bonds (distance) C4'-P energy: -18.647
bonds (distance) P-C4' energy: -23.253
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -3.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -137.627280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.627280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.627280 (E_RNA)
where:
Base-Base interactions energy: -61.972
where: short stacking energy: -46.487
Base-Backbone interact. energy: 1.186
local terms energy: -76.840939
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -20.573
flat angles C4'-P-C4' energy: -21.975
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -6.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -113.679979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.679979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.679979 (E_RNA)
where:
Base-Base interactions energy: -46.851
where: short stacking energy: -41.936
Base-Backbone interact. energy: -0.119
local terms energy: -66.709358
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -21.227
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -5.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -108.024452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.024452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.024452 (E_RNA)
where:
Base-Base interactions energy: -39.895
where: short stacking energy: -33.673
Base-Backbone interact. energy: -0.559
local terms energy: -67.569677
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -19.372
flat angles C4'-P-C4' energy: -22.211
flat angles P-C4'-P energy: -14.266
tors. eta vs tors. theta energy: 0.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -391.084537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.084537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.084537 (E_RNA)
where:
Base-Base interactions energy: -271.736
where: short stacking energy: -112.937
Base-Backbone interact. energy: -0.519
local terms energy: -118.828796
where:
bonds (distance) C4'-P energy: -21.042
bonds (distance) P-C4' energy: -23.391
flat angles C4'-P-C4' energy: -25.493
flat angles P-C4'-P energy: -15.821
tors. eta vs tors. theta energy: -33.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -385.553882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.553882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.553882 (E_RNA)
where:
Base-Base interactions energy: -280.844
where: short stacking energy: -106.942
Base-Backbone interact. energy: -0.062
local terms energy: -104.648058
where:
bonds (distance) C4'-P energy: -19.179
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -22.361
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -31.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -327.354296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.354296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.354296 (E_RNA)
where:
Base-Base interactions energy: -216.145
where: short stacking energy: -91.351
Base-Backbone interact. energy: -0.232
local terms energy: -110.976355
where:
bonds (distance) C4'-P energy: -22.121
bonds (distance) P-C4' energy: -21.424
flat angles C4'-P-C4' energy: -25.314
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -27.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -332.171030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.171030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.171030 (E_RNA)
where:
Base-Base interactions energy: -228.522
where: short stacking energy: -89.453
Base-Backbone interact. energy: -0.410
local terms energy: -103.239452
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -20.639
flat angles C4'-P-C4' energy: -22.429
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -30.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -282.644177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.644177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.644177 (E_RNA)
where:
Base-Base interactions energy: -182.473
where: short stacking energy: -103.726
Base-Backbone interact. energy: -0.010
local terms energy: -100.161369
where:
bonds (distance) C4'-P energy: -19.095
bonds (distance) P-C4' energy: -21.371
flat angles C4'-P-C4' energy: -20.951
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -27.181
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: 180
Temperature: 1.150000
Total energy: -271.246674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.246674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.246674 (E_RNA)
where:
Base-Base interactions energy: -183.950
where: short stacking energy: -84.435
Base-Backbone interact. energy: -0.479
local terms energy: -86.817405
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -21.229
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -23.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -150.609841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.609841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.609841 (E_RNA)
where:
Base-Base interactions energy: -74.015
where: short stacking energy: -48.439
Base-Backbone interact. energy: -0.285
local terms energy: -76.309518
where:
bonds (distance) C4'-P energy: -19.798
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -19.175
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: -2.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -123.209511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.209511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.209511 (E_RNA)
where:
Base-Base interactions energy: -51.005
where: short stacking energy: -36.088
Base-Backbone interact. energy: 1.771
local terms energy: -73.975541
where:
bonds (distance) C4'-P energy: -20.271
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -5.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -96.269018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.269018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.269018 (E_RNA)
where:
Base-Base interactions energy: -31.650
where: short stacking energy: -28.451
Base-Backbone interact. energy: 0.562
local terms energy: -65.181312
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -20.094
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: 3.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -115.783404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.783404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.783404 (E_RNA)
where:
Base-Base interactions energy: -69.056
where: short stacking energy: -17.627
Base-Backbone interact. energy: -0.404
local terms energy: -46.323863
where:
bonds (distance) C4'-P energy: -20.250
bonds (distance) P-C4' energy: -9.833
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -5.769
tors. eta vs tors. theta energy: 0.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -393.290051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.290051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.290051 (E_RNA)
where:
Base-Base interactions energy: -276.164
where: short stacking energy: -116.669
Base-Backbone interact. energy: -0.011
local terms energy: -117.115498
where:
bonds (distance) C4'-P energy: -20.382
bonds (distance) P-C4' energy: -24.048
flat angles C4'-P-C4' energy: -24.827
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -33.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -384.298098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.298098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.298098 (E_RNA)
where:
Base-Base interactions energy: -264.389
where: short stacking energy: -103.062
Base-Backbone interact. energy: -0.095
local terms energy: -119.813450
where:
bonds (distance) C4'-P energy: -22.560
bonds (distance) P-C4' energy: -22.399
flat angles C4'-P-C4' energy: -23.970
flat angles P-C4'-P energy: -17.437
tors. eta vs tors. theta energy: -33.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -336.756591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.756591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.756591 (E_RNA)
where:
Base-Base interactions energy: -225.038
where: short stacking energy: -95.899
Base-Backbone interact. energy: -0.052
local terms energy: -111.666250
where:
bonds (distance) C4'-P energy: -21.186
bonds (distance) P-C4' energy: -21.238
flat angles C4'-P-C4' energy: -22.571
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -33.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -326.949001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.949001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.949001 (E_RNA)
where:
Base-Base interactions energy: -223.537
where: short stacking energy: -90.718
Base-Backbone interact. energy: -0.154
local terms energy: -103.258055
where:
bonds (distance) C4'-P energy: -23.572
bonds (distance) P-C4' energy: -23.700
flat angles C4'-P-C4' energy: -23.010
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -20.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -268.953824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.953824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.953824 (E_RNA)
where:
Base-Base interactions energy: -166.529
where: short stacking energy: -91.086
Base-Backbone interact. energy: -0.589
local terms energy: -101.835549
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -22.733
flat angles C4'-P-C4' energy: -24.049
flat angles P-C4'-P energy: -14.713
tors. eta vs tors. theta energy: -23.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -296.535273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.535273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.535273 (E_RNA)
where:
Base-Base interactions energy: -196.872
where: short stacking energy: -85.011
Base-Backbone interact. energy: -0.686
local terms energy: -98.977679
where:
bonds (distance) C4'-P energy: -19.675
bonds (distance) P-C4' energy: -19.120
flat angles C4'-P-C4' energy: -22.763
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -28.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -197.359469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.359469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.359469 (E_RNA)
where:
Base-Base interactions energy: -116.388
where: short stacking energy: -50.945
Base-Backbone interact. energy: -0.819
local terms energy: -80.151827
where:
bonds (distance) C4'-P energy: -20.187
bonds (distance) P-C4' energy: -22.686
flat angles C4'-P-C4' energy: -20.503
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -5.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -113.199217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.199217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.199217 (E_RNA)
where:
Base-Base interactions energy: -49.424
where: short stacking energy: -37.063
Base-Backbone interact. energy: -0.804
local terms energy: -62.971546
where:
bonds (distance) C4'-P energy: -19.625
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -6.450
tors. eta vs tors. theta energy: 1.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -103.146110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.146110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.146110 (E_RNA)
where:
Base-Base interactions energy: -33.294
where: short stacking energy: -29.737
Base-Backbone interact. energy: -0.222
local terms energy: -69.630132
where:
bonds (distance) C4'-P energy: -19.939
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -23.359
flat angles P-C4'-P energy: -12.457
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: 10, replica: 10
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -141.825063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.825063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.825063 (E_RNA)
where:
Base-Base interactions energy: -77.243
where: short stacking energy: -42.259
Base-Backbone interact. energy: -0.738
local terms energy: -63.844369
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -10.836
flat angles C4'-P-C4' energy: -22.881
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -397.443760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.443760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.443760 (E_RNA)
where:
Base-Base interactions energy: -280.717
where: short stacking energy: -112.139
Base-Backbone interact. energy: -0.067
local terms energy: -116.660041
where:
bonds (distance) C4'-P energy: -21.475
bonds (distance) P-C4' energy: -20.922
flat angles C4'-P-C4' energy: -23.493
flat angles P-C4'-P energy: -15.822
tors. eta vs tors. theta energy: -34.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -388.584691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.584691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.584691 (E_RNA)
where:
Base-Base interactions energy: -270.218
where: short stacking energy: -100.302
Base-Backbone interact. energy: 0.350
local terms energy: -118.716689
where:
bonds (distance) C4'-P energy: -20.995
bonds (distance) P-C4' energy: -24.046
flat angles C4'-P-C4' energy: -23.440
flat angles P-C4'-P energy: -16.114
tors. eta vs tors. theta energy: -34.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -333.608532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.608532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.608532 (E_RNA)
where:
Base-Base interactions energy: -227.205
where: short stacking energy: -97.453
Base-Backbone interact. energy: -0.211
local terms energy: -106.192183
where:
bonds (distance) C4'-P energy: -20.573
bonds (distance) P-C4' energy: -24.238
flat angles C4'-P-C4' energy: -20.348
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -30.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -323.448088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.448088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.448088 (E_RNA)
where:
Base-Base interactions energy: -224.728
where: short stacking energy: -83.716
Base-Backbone interact. energy: -0.361
local terms energy: -98.358337
where:
bonds (distance) C4'-P energy: -22.007
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -19.553
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -24.758
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: 2
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -315.482812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.482812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.482812 (E_RNA)
where:
Base-Base interactions energy: -211.751
where: short stacking energy: -93.825
Base-Backbone interact. energy: -0.407
local terms energy: -103.324016
where:
bonds (distance) C4'-P energy: -20.763
bonds (distance) P-C4' energy: -22.809
flat angles C4'-P-C4' energy: -22.700
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -23.451
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: 8
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -272.772087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.772087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.772087 (E_RNA)
where:
Base-Base interactions energy: -167.110
where: short stacking energy: -75.972
Base-Backbone interact. energy: 0.640
local terms energy: -106.302679
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -25.026
flat angles C4'-P-C4' energy: -20.775
flat angles P-C4'-P energy: -15.498
tors. eta vs tors. theta energy: -28.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -214.007668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.007668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.007668 (E_RNA)
where:
Base-Base interactions energy: -129.043
where: short stacking energy: -66.404
Base-Backbone interact. energy: -0.677
local terms energy: -84.288178
where:
bonds (distance) C4'-P energy: -18.512
bonds (distance) P-C4' energy: -22.085
flat angles C4'-P-C4' energy: -23.234
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -7.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -121.000061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.000061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.000061 (E_RNA)
where:
Base-Base interactions energy: -55.242
where: short stacking energy: -45.500
Base-Backbone interact. energy: -0.253
local terms energy: -65.504524
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -20.081
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -1.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -160.995147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.995147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.995147 (E_RNA)
where:
Base-Base interactions energy: -90.933
where: short stacking energy: -52.517
Base-Backbone interact. energy: -0.058
local terms energy: -70.004148
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -14.907
tors. eta vs tors. theta energy: -10.911
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: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -104.585767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.585767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.585767 (E_RNA)
where:
Base-Base interactions energy: -40.588
where: short stacking energy: -31.125
Base-Backbone interact. energy: -2.177
local terms energy: -61.820950
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -5.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -394.506129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.506129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.506129 (E_RNA)
where:
Base-Base interactions energy: -280.241
where: short stacking energy: -113.600
Base-Backbone interact. energy: -0.002
local terms energy: -114.262721
where:
bonds (distance) C4'-P energy: -23.855
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -25.530
flat angles P-C4'-P energy: -16.987
tors. eta vs tors. theta energy: -33.527
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: 9
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -384.271150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.271150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.271150 (E_RNA)
where:
Base-Base interactions energy: -276.604
where: short stacking energy: -114.696
Base-Backbone interact. energy: -0.305
local terms energy: -107.362151
where:
bonds (distance) C4'-P energy: -19.884
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -22.505
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -35.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -329.368232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.368232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.368232 (E_RNA)
where:
Base-Base interactions energy: -232.326
where: short stacking energy: -105.757
Base-Backbone interact. energy: -0.008
local terms energy: -97.034280
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -21.687
flat angles C4'-P-C4' energy: -19.742
flat angles P-C4'-P energy: -14.828
tors. eta vs tors. theta energy: -30.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -314.823134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.823134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.823134 (E_RNA)
where:
Base-Base interactions energy: -211.070
where: short stacking energy: -96.947
Base-Backbone interact. energy: -0.184
local terms energy: -103.569456
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -22.508
flat angles C4'-P-C4' energy: -21.661
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -28.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -313.176229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.176229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.176229 (E_RNA)
where:
Base-Base interactions energy: -213.045
where: short stacking energy: -97.796
Base-Backbone interact. energy: -0.048
local terms energy: -100.083294
where:
bonds (distance) C4'-P energy: -18.089
bonds (distance) P-C4' energy: -16.882
flat angles C4'-P-C4' energy: -21.518
flat angles P-C4'-P energy: -13.924
tors. eta vs tors. theta energy: -29.670
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: 8
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -249.903769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.903769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.903769 (E_RNA)
where:
Base-Base interactions energy: -157.148
where: short stacking energy: -73.751
Base-Backbone interact. energy: -0.025
local terms energy: -92.730752
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -15.608
tors. eta vs tors. theta energy: -23.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -204.591814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.591814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.591814 (E_RNA)
where:
Base-Base interactions energy: -117.812
where: short stacking energy: -58.905
Base-Backbone interact. energy: -0.332
local terms energy: -86.447859
where:
bonds (distance) C4'-P energy: -21.699
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -16.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -108.901302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.901302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.901302 (E_RNA)
where:
Base-Base interactions energy: -36.028
where: short stacking energy: -23.684
Base-Backbone interact. energy: -0.238
local terms energy: -72.634762
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -19.627
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -4.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -105.038179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.038179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.038179 (E_RNA)
where:
Base-Base interactions energy: -33.823
where: short stacking energy: -30.973
Base-Backbone interact. energy: -0.165
local terms energy: -71.049768
where:
bonds (distance) C4'-P energy: -19.993
bonds (distance) P-C4' energy: -21.154
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -0.138
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: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -110.939588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.939588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.939588 (E_RNA)
where:
Base-Base interactions energy: -36.827
where: short stacking energy: -32.443
Base-Backbone interact. energy: -0.107
local terms energy: -74.005163
where:
bonds (distance) C4'-P energy: -14.618
bonds (distance) P-C4' energy: -22.359
flat angles C4'-P-C4' energy: -19.231
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: -3.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -393.897931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.897931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.897931 (E_RNA)
where:
Base-Base interactions energy: -275.713
where: short stacking energy: -115.119
Base-Backbone interact. energy: -0.098
local terms energy: -118.086981
where:
bonds (distance) C4'-P energy: -19.061
bonds (distance) P-C4' energy: -22.886
flat angles C4'-P-C4' energy: -23.087
flat angles P-C4'-P energy: -17.202
tors. eta vs tors. theta energy: -35.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -393.590630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.590630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.590630 (E_RNA)
where:
Base-Base interactions energy: -282.061
where: short stacking energy: -117.918
Base-Backbone interact. energy: -0.099
local terms energy: -111.430841
where:
bonds (distance) C4'-P energy: -21.770
bonds (distance) P-C4' energy: -19.275
flat angles C4'-P-C4' energy: -19.783
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: -36.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -324.845139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.845139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.845139 (E_RNA)
where:
Base-Base interactions energy: -220.745
where: short stacking energy: -99.516
Base-Backbone interact. energy: -0.310
local terms energy: -103.789551
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -20.789
flat angles C4'-P-C4' energy: -21.630
flat angles P-C4'-P energy: -15.161
tors. eta vs tors. theta energy: -30.187
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: 184
Temperature: 1.050000
Total energy: -309.120830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.120830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.120830 (E_RNA)
where:
Base-Base interactions energy: -213.618
where: short stacking energy: -95.021
Base-Backbone interact. energy: 0.861
local terms energy: -96.364036
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -23.492
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -26.862
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: 4
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -309.373884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.373884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.373884 (E_RNA)
where:
Base-Base interactions energy: -205.908
where: short stacking energy: -92.503
Base-Backbone interact. energy: -0.403
local terms energy: -103.062326
where:
bonds (distance) C4'-P energy: -20.191
bonds (distance) P-C4' energy: -16.658
flat angles C4'-P-C4' energy: -25.133
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -27.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -249.716204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.716204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.716204 (E_RNA)
where:
Base-Base interactions energy: -156.756
where: short stacking energy: -86.023
Base-Backbone interact. energy: -1.440
local terms energy: -91.519882
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -22.432
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -14.938
tors. eta vs tors. theta energy: -23.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -208.539980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.539980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.539980 (E_RNA)
where:
Base-Base interactions energy: -122.127
where: short stacking energy: -64.582
Base-Backbone interact. energy: -2.172
local terms energy: -84.240632
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -14.554
tors. eta vs tors. theta energy: -19.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -116.497299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.497299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.497299 (E_RNA)
where:
Base-Base interactions energy: -42.916
where: short stacking energy: -42.916
Base-Backbone interact. energy: -0.267
local terms energy: -73.313700
where:
bonds (distance) C4'-P energy: -19.504
bonds (distance) P-C4' energy: -17.825
flat angles C4'-P-C4' energy: -20.327
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -7.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -119.972760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.972760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.972760 (E_RNA)
where:
Base-Base interactions energy: -44.313
where: short stacking energy: -35.935
Base-Backbone interact. energy: -0.128
local terms energy: -75.531528
where:
bonds (distance) C4'-P energy: -22.911
bonds (distance) P-C4' energy: -21.334
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -13.380
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: 10, replica: 7
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -102.460521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.460521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.460521 (E_RNA)
where:
Base-Base interactions energy: -44.039
where: short stacking energy: -38.138
Base-Backbone interact. energy: 0.811
local terms energy: -59.232958
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -0.916
tors. eta vs tors. theta energy: -10.909
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: 5
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -393.765932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.765932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.765932 (E_RNA)
where:
Base-Base interactions energy: -276.242
where: short stacking energy: -114.642
Base-Backbone interact. energy: 0.762
local terms energy: -118.285654
where:
bonds (distance) C4'-P energy: -21.016
bonds (distance) P-C4' energy: -20.457
flat angles C4'-P-C4' energy: -25.061
flat angles P-C4'-P energy: -15.916
tors. eta vs tors. theta energy: -35.836
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: 185
Temperature: 0.950000
Total energy: -395.786079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.786079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.786079 (E_RNA)
where:
Base-Base interactions energy: -281.841
where: short stacking energy: -117.608
Base-Backbone interact. energy: -0.098
local terms energy: -113.846500
where:
bonds (distance) C4'-P energy: -22.064
bonds (distance) P-C4' energy: -19.272
flat angles C4'-P-C4' energy: -22.267
flat angles P-C4'-P energy: -14.947
tors. eta vs tors. theta energy: -35.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -323.404752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.404752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.404752 (E_RNA)
where:
Base-Base interactions energy: -215.090
where: short stacking energy: -87.314
Base-Backbone interact. energy: -0.902
local terms energy: -107.412129
where:
bonds (distance) C4'-P energy: -20.519
bonds (distance) P-C4' energy: -23.486
flat angles C4'-P-C4' energy: -22.477
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -27.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -317.727515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.727515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.727515 (E_RNA)
where:
Base-Base interactions energy: -213.753
where: short stacking energy: -88.031
Base-Backbone interact. energy: -1.430
local terms energy: -102.544487
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -24.570
flat angles C4'-P-C4' energy: -20.192
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -25.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -321.872890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.872890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.872890 (E_RNA)
where:
Base-Base interactions energy: -217.409
where: short stacking energy: -89.316
Base-Backbone interact. energy: -0.011
local terms energy: -104.452652
where:
bonds (distance) C4'-P energy: -19.003
bonds (distance) P-C4' energy: -18.011
flat angles C4'-P-C4' energy: -22.830
flat angles P-C4'-P energy: -14.862
tors. eta vs tors. theta energy: -29.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -239.611402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.611402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.611402 (E_RNA)
where:
Base-Base interactions energy: -144.503
where: short stacking energy: -67.616
Base-Backbone interact. energy: -0.109
local terms energy: -95.000053
where:
bonds (distance) C4'-P energy: -24.461
bonds (distance) P-C4' energy: -18.167
flat angles C4'-P-C4' energy: -21.313
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -19.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -212.808960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.808960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.808960 (E_RNA)
where:
Base-Base interactions energy: -125.367
where: short stacking energy: -68.162
Base-Backbone interact. energy: -0.380
local terms energy: -87.062798
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -20.909
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -15.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -152.711638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.711638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.711638 (E_RNA)
where:
Base-Base interactions energy: -82.016
where: short stacking energy: -49.755
Base-Backbone interact. energy: -1.944
local terms energy: -68.751114
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -21.507
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -7.664
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: 185
Temperature: 1.300000
Total energy: -109.079123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.079123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.079123 (E_RNA)
where:
Base-Base interactions energy: -44.734
where: short stacking energy: -28.675
Base-Backbone interact. energy: -0.617
local terms energy: -63.727363
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -22.117
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -2.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -89.541133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.541133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.541133 (E_RNA)
where:
Base-Base interactions energy: -24.856
where: short stacking energy: -20.228
Base-Backbone interact. energy: -0.398
local terms energy: -64.287479
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -24.669
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -17.854
tors. eta vs tors. theta energy: 5.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -390.954165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.954165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.954165 (E_RNA)
where:
Base-Base interactions energy: -270.782
where: short stacking energy: -109.496
Base-Backbone interact. energy: -0.205
local terms energy: -119.966403
where:
bonds (distance) C4'-P energy: -22.377
bonds (distance) P-C4' energy: -21.447
flat angles C4'-P-C4' energy: -22.734
flat angles P-C4'-P energy: -18.638
tors. eta vs tors. theta energy: -34.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -392.203772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.203772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.203772 (E_RNA)
where:
Base-Base interactions energy: -281.430
where: short stacking energy: -118.651
Base-Backbone interact. energy: 0.820
local terms energy: -111.593987
where:
bonds (distance) C4'-P energy: -20.024
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -25.495
flat angles P-C4'-P energy: -15.220
tors. eta vs tors. theta energy: -32.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -304.589786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.589786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.589786 (E_RNA)
where:
Base-Base interactions energy: -209.333
where: short stacking energy: -89.146
Base-Backbone interact. energy: 2.290
local terms energy: -97.546442
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -22.533
flat angles P-C4'-P energy: -17.521
tors. eta vs tors. theta energy: -20.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -317.334675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.334675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.334675 (E_RNA)
where:
Base-Base interactions energy: -220.933
where: short stacking energy: -88.150
Base-Backbone interact. energy: -0.402
local terms energy: -95.999758
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -22.017
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -15.679
tors. eta vs tors. theta energy: -27.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -303.801589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.801589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.801589 (E_RNA)
where:
Base-Base interactions energy: -210.352
where: short stacking energy: -85.159
Base-Backbone interact. energy: -0.053
local terms energy: -93.396364
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -22.368
flat angles P-C4'-P energy: -14.681
tors. eta vs tors. theta energy: -21.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -278.588253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.588253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.588253 (E_RNA)
where:
Base-Base interactions energy: -178.317
where: short stacking energy: -86.602
Base-Backbone interact. energy: -0.431
local terms energy: -99.840252
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -22.598
flat angles C4'-P-C4' energy: -22.399
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -26.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -199.612642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.612642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.612642 (E_RNA)
where:
Base-Base interactions energy: -121.006
where: short stacking energy: -60.409
Base-Backbone interact. energy: -0.366
local terms energy: -78.240540
where:
bonds (distance) C4'-P energy: -17.419
bonds (distance) P-C4' energy: -19.710
flat angles C4'-P-C4' energy: -21.907
flat angles P-C4'-P energy: -5.498
tors. eta vs tors. theta energy: -13.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -133.790129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.790129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.790129 (E_RNA)
where:
Base-Base interactions energy: -58.827
where: short stacking energy: -50.063
Base-Backbone interact. energy: -0.025
local terms energy: -74.938044
where:
bonds (distance) C4'-P energy: -20.126
bonds (distance) P-C4' energy: -21.759
flat angles C4'-P-C4' energy: -21.280
flat angles P-C4'-P energy: -2.359
tors. eta vs tors. theta energy: -9.414
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: 186
Temperature: 1.300000
Total energy: -167.625999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.625999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.625999 (E_RNA)
where:
Base-Base interactions energy: -93.463
where: short stacking energy: -53.206
Base-Backbone interact. energy: -0.866
local terms energy: -73.297431
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -19.021
flat angles C4'-P-C4' energy: -19.426
flat angles P-C4'-P energy: -3.509
tors. eta vs tors. theta energy: -14.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -107.558198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.558198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.558198 (E_RNA)
where:
Base-Base interactions energy: -41.111
where: short stacking energy: -28.929
Base-Backbone interact. energy: -0.157
local terms energy: -66.290093
where:
bonds (distance) C4'-P energy: -21.398
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -18.532
flat angles P-C4'-P energy: -9.963
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: 9
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -399.451200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.451200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.451200 (E_RNA)
where:
Base-Base interactions energy: -279.543
where: short stacking energy: -113.203
Base-Backbone interact. energy: -0.001
local terms energy: -119.906647
where:
bonds (distance) C4'-P energy: -19.864
bonds (distance) P-C4' energy: -23.911
flat angles C4'-P-C4' energy: -24.674
flat angles P-C4'-P energy: -15.581
tors. eta vs tors. theta energy: -35.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -390.373714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.373714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.373714 (E_RNA)
where:
Base-Base interactions energy: -276.882
where: short stacking energy: -112.608
Base-Backbone interact. energy: -0.252
local terms energy: -113.239343
where:
bonds (distance) C4'-P energy: -22.764
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -20.174
flat angles P-C4'-P energy: -16.686
tors. eta vs tors. theta energy: -34.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -313.487858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.487858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.487858 (E_RNA)
where:
Base-Base interactions energy: -215.125
where: short stacking energy: -91.170
Base-Backbone interact. energy: -0.330
local terms energy: -98.033180
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -22.275
flat angles C4'-P-C4' energy: -21.444
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -25.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -329.791269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.791269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.791269 (E_RNA)
where:
Base-Base interactions energy: -224.308
where: short stacking energy: -98.545
Base-Backbone interact. energy: -0.020
local terms energy: -105.462951
where:
bonds (distance) C4'-P energy: -19.186
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -19.784
flat angles P-C4'-P energy: -15.038
tors. eta vs tors. theta energy: -31.719
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: 3
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -302.719744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.719744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.719744 (E_RNA)
where:
Base-Base interactions energy: -209.508
where: short stacking energy: -82.759
Base-Backbone interact. energy: -0.337
local terms energy: -92.875102
where:
bonds (distance) C4'-P energy: -19.663
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -22.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -266.798971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.798971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.798971 (E_RNA)
where:
Base-Base interactions energy: -178.190
where: short stacking energy: -81.487
Base-Backbone interact. energy: -0.021
local terms energy: -88.588072
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -15.743
tors. eta vs tors. theta energy: -24.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -176.840618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.840618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.840618 (E_RNA)
where:
Base-Base interactions energy: -104.737
where: short stacking energy: -53.296
Base-Backbone interact. energy: 0.022
local terms energy: -72.126164
where:
bonds (distance) C4'-P energy: -19.274
bonds (distance) P-C4' energy: -23.745
flat angles C4'-P-C4' energy: -11.006
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -6.004
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: 8, replica: 10
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -215.160148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.160148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.160148 (E_RNA)
where:
Base-Base interactions energy: -128.802
where: short stacking energy: -65.906
Base-Backbone interact. energy: -1.774
local terms energy: -84.584746
where:
bonds (distance) C4'-P energy: -22.719
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -20.178
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -13.975
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: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -112.220252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.220252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.220252 (E_RNA)
where:
Base-Base interactions energy: -51.283
where: short stacking energy: -22.749
Base-Backbone interact. energy: -0.216
local terms energy: -60.720401
where:
bonds (distance) C4'-P energy: -21.085
bonds (distance) P-C4' energy: -11.655
flat angles C4'-P-C4' energy: -20.311
flat angles P-C4'-P energy: -7.955
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: 187
Temperature: 1.350000
Total energy: -128.534283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.534283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.534283 (E_RNA)
where:
Base-Base interactions energy: -48.520
where: short stacking energy: -42.281
Base-Backbone interact. energy: -0.177
local terms energy: -79.837557
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -19.993
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: -6.948
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: 9
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -383.567928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.567928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.567928 (E_RNA)
where:
Base-Base interactions energy: -275.154
where: short stacking energy: -109.581
Base-Backbone interact. energy: -0.578
local terms energy: -107.835640
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -22.621
flat angles P-C4'-P energy: -16.971
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: 2, replica: 5
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -393.198475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.198475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.198475 (E_RNA)
where:
Base-Base interactions energy: -270.060
where: short stacking energy: -109.131
Base-Backbone interact. energy: -0.576
local terms energy: -122.562903
where:
bonds (distance) C4'-P energy: -21.090
bonds (distance) P-C4' energy: -24.100
flat angles C4'-P-C4' energy: -26.157
flat angles P-C4'-P energy: -17.553
tors. eta vs tors. theta energy: -33.663
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: 4
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -328.001134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.001134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.001134 (E_RNA)
where:
Base-Base interactions energy: -219.781
where: short stacking energy: -90.947
Base-Backbone interact. energy: -1.374
local terms energy: -106.845988
where:
bonds (distance) C4'-P energy: -20.680
bonds (distance) P-C4' energy: -18.152
flat angles C4'-P-C4' energy: -24.154
flat angles P-C4'-P energy: -14.849
tors. eta vs tors. theta energy: -29.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -307.629247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.629247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.629247 (E_RNA)
where:
Base-Base interactions energy: -202.418
where: short stacking energy: -90.458
Base-Backbone interact. energy: 0.065
local terms energy: -105.275796
where:
bonds (distance) C4'-P energy: -22.613
bonds (distance) P-C4' energy: -19.047
flat angles C4'-P-C4' energy: -21.563
flat angles P-C4'-P energy: -16.140
tors. eta vs tors. theta energy: -25.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -275.957225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.957225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.957225 (E_RNA)
where:
Base-Base interactions energy: -174.067
where: short stacking energy: -85.471
Base-Backbone interact. energy: -0.180
local terms energy: -101.710793
where:
bonds (distance) C4'-P energy: -18.792
bonds (distance) P-C4' energy: -23.331
flat angles C4'-P-C4' energy: -22.413
flat angles P-C4'-P energy: -14.890
tors. eta vs tors. theta energy: -22.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -297.071550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.071550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.071550 (E_RNA)
where:
Base-Base interactions energy: -193.573
where: short stacking energy: -83.210
Base-Backbone interact. energy: -0.991
local terms energy: -102.508110
where:
bonds (distance) C4'-P energy: -23.348
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -14.029
tors. eta vs tors. theta energy: -26.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -210.447456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.447456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.447456 (E_RNA)
where:
Base-Base interactions energy: -139.858
where: short stacking energy: -62.451
Base-Backbone interact. energy: -0.285
local terms energy: -70.304489
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -12.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -130.272402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.272402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.272402 (E_RNA)
where:
Base-Base interactions energy: -52.603
where: short stacking energy: -52.603
Base-Backbone interact. energy: -0.106
local terms energy: -77.563725
where:
bonds (distance) C4'-P energy: -19.272
bonds (distance) P-C4' energy: -19.776
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -12.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -109.546606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.546606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.546606 (E_RNA)
where:
Base-Base interactions energy: -46.209
where: short stacking energy: -40.993
Base-Backbone interact. energy: -0.105
local terms energy: -63.232094
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -18.067
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -1.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -104.177634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.177634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.177634 (E_RNA)
where:
Base-Base interactions energy: -49.633
where: short stacking energy: -24.100
Base-Backbone interact. energy: 1.751
local terms energy: -56.295935
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -16.011
tors. eta vs tors. theta energy: 6.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -390.695011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.695011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.695011 (E_RNA)
where:
Base-Base interactions energy: -274.681
where: short stacking energy: -115.080
Base-Backbone interact. energy: -0.221
local terms energy: -115.792579
where:
bonds (distance) C4'-P energy: -24.328
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -24.385
flat angles P-C4'-P energy: -15.782
tors. eta vs tors. theta energy: -35.412
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: 5
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -378.648989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.648989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.648989 (E_RNA)
where:
Base-Base interactions energy: -263.497
where: short stacking energy: -103.766
Base-Backbone interact. energy: -0.010
local terms energy: -115.141944
where:
bonds (distance) C4'-P energy: -21.438
bonds (distance) P-C4' energy: -25.985
flat angles C4'-P-C4' energy: -20.695
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -33.340
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: 4
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -337.825327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.825327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.825327 (E_RNA)
where:
Base-Base interactions energy: -228.179
where: short stacking energy: -101.289
Base-Backbone interact. energy: -0.576
local terms energy: -109.070182
where:
bonds (distance) C4'-P energy: -19.712
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -22.233
flat angles P-C4'-P energy: -17.132
tors. eta vs tors. theta energy: -33.350
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: 189
Temperature: 1.050000
Total energy: -314.639572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.639572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.639572 (E_RNA)
where:
Base-Base interactions energy: -210.396
where: short stacking energy: -101.782
Base-Backbone interact. energy: -0.224
local terms energy: -104.019584
where:
bonds (distance) C4'-P energy: -22.681
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -19.525
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -31.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -264.974764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.974764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.974764 (E_RNA)
where:
Base-Base interactions energy: -163.212
where: short stacking energy: -91.996
Base-Backbone interact. energy: 0.801
local terms energy: -102.563887
where:
bonds (distance) C4'-P energy: -20.037
bonds (distance) P-C4' energy: -22.796
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -18.508
tors. eta vs tors. theta energy: -23.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -286.528257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.528257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.528257 (E_RNA)
where:
Base-Base interactions energy: -200.606
where: short stacking energy: -85.714
Base-Backbone interact. energy: -0.062
local terms energy: -85.859859
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -21.826
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -21.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -234.489234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.489234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.489234 (E_RNA)
where:
Base-Base interactions energy: -159.756
where: short stacking energy: -65.248
Base-Backbone interact. energy: -0.637
local terms energy: -74.096066
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -15.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -121.978772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.978772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.978772 (E_RNA)
where:
Base-Base interactions energy: -54.384
where: short stacking energy: -54.448
Base-Backbone interact. energy: -0.173
local terms energy: -67.422424
where:
bonds (distance) C4'-P energy: -20.726
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -7.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -108.608908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.608908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.608908 (E_RNA)
where:
Base-Base interactions energy: -39.954
where: short stacking energy: -30.270
Base-Backbone interact. energy: -0.859
local terms energy: -67.796279
where:
bonds (distance) C4'-P energy: -22.038
bonds (distance) P-C4' energy: -22.700
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: 0.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -101.955302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.955302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.955302 (E_RNA)
where:
Base-Base interactions energy: -33.991
where: short stacking energy: -19.738
Base-Backbone interact. energy: 0.754
local terms energy: -68.717852
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -22.196
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -0.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -387.772448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.772448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.772448 (E_RNA)
where:
Base-Base interactions energy: -272.558
where: short stacking energy: -110.351
Base-Backbone interact. energy: 0.859
local terms energy: -116.073466
where:
bonds (distance) C4'-P energy: -18.843
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -26.480
flat angles P-C4'-P energy: -14.629
tors. eta vs tors. theta energy: -36.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -382.464058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.464058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.464058 (E_RNA)
where:
Base-Base interactions energy: -275.523
where: short stacking energy: -107.613
Base-Backbone interact. energy: -0.179
local terms energy: -106.762225
where:
bonds (distance) C4'-P energy: -20.971
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -23.994
flat angles P-C4'-P energy: -15.642
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: 3, replica: 2
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -326.865863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.865863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.865863 (E_RNA)
where:
Base-Base interactions energy: -228.217
where: short stacking energy: -91.365
Base-Backbone interact. energy: -0.195
local terms energy: -98.454031
where:
bonds (distance) C4'-P energy: -21.041
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -23.128
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -22.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -336.361651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.361651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.361651 (E_RNA)
where:
Base-Base interactions energy: -227.478
where: short stacking energy: -103.009
Base-Backbone interact. energy: 0.520
local terms energy: -109.403291
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -19.702
flat angles C4'-P-C4' energy: -23.367
flat angles P-C4'-P energy: -15.423
tors. eta vs tors. theta energy: -35.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -320.898548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.898548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.898548 (E_RNA)
where:
Base-Base interactions energy: -224.638
where: short stacking energy: -99.119
Base-Backbone interact. energy: -0.021
local terms energy: -96.239767
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -21.153
flat angles C4'-P-C4' energy: -19.709
flat angles P-C4'-P energy: -17.329
tors. eta vs tors. theta energy: -24.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -229.383317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.383317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.383317 (E_RNA)
where:
Base-Base interactions energy: -134.710
where: short stacking energy: -69.186
Base-Backbone interact. energy: -0.819
local terms energy: -93.854451
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -21.379
flat angles C4'-P-C4' energy: -23.443
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: -18.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -261.062316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.062316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.062316 (E_RNA)
where:
Base-Base interactions energy: -169.987
where: short stacking energy: -67.826
Base-Backbone interact. energy: -0.808
local terms energy: -90.267258
where:
bonds (distance) C4'-P energy: -19.758
bonds (distance) P-C4' energy: -20.779
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -11.958
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: 8, replica: 7
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -127.711979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.711979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.711979 (E_RNA)
where:
Base-Base interactions energy: -64.034
where: short stacking energy: -41.983
Base-Backbone interact. energy: -0.578
local terms energy: -63.100687
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -24.562
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: 1.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -102.328232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.328232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.328232 (E_RNA)
where:
Base-Base interactions energy: -38.048
where: short stacking energy: -13.185
Base-Backbone interact. energy: -0.429
local terms energy: -63.850760
where:
bonds (distance) C4'-P energy: -20.012
bonds (distance) P-C4' energy: -23.132
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: 4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -98.427047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.427047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.427047 (E_RNA)
where:
Base-Base interactions energy: -32.562
where: short stacking energy: -25.527
Base-Backbone interact. energy: 0.523
local terms energy: -66.388195
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -22.288
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -1.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -391.331657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.331657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.331657 (E_RNA)
where:
Base-Base interactions energy: -272.992
where: short stacking energy: -108.248
Base-Backbone interact. energy: -0.076
local terms energy: -118.262863
where:
bonds (distance) C4'-P energy: -20.299
bonds (distance) P-C4' energy: -22.439
flat angles C4'-P-C4' energy: -25.129
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -33.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -388.146504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.146504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.146504 (E_RNA)
where:
Base-Base interactions energy: -273.326
where: short stacking energy: -114.704
Base-Backbone interact. energy: -0.091
local terms energy: -114.729178
where:
bonds (distance) C4'-P energy: -20.344
bonds (distance) P-C4' energy: -23.332
flat angles C4'-P-C4' energy: -23.620
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -32.623
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: 2
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -330.127967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.127967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.127967 (E_RNA)
where:
Base-Base interactions energy: -221.185
where: short stacking energy: -99.453
Base-Backbone interact. energy: -0.566
local terms energy: -108.377322
where:
bonds (distance) C4'-P energy: -21.218
bonds (distance) P-C4' energy: -20.868
flat angles C4'-P-C4' energy: -23.488
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -29.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -329.069520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.069520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.069520 (E_RNA)
where:
Base-Base interactions energy: -215.453
where: short stacking energy: -94.878
Base-Backbone interact. energy: -0.030
local terms energy: -113.586250
where:
bonds (distance) C4'-P energy: -24.791
bonds (distance) P-C4' energy: -18.173
flat angles C4'-P-C4' energy: -22.360
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: -34.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -278.913759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.913759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.913759 (E_RNA)
where:
Base-Base interactions energy: -185.129
where: short stacking energy: -84.534
Base-Backbone interact. energy: -0.389
local terms energy: -93.395125
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -20.723
flat angles C4'-P-C4' energy: -20.307
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -21.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -292.018595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.018595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.018595 (E_RNA)
where:
Base-Base interactions energy: -194.582
where: short stacking energy: -81.899
Base-Backbone interact. energy: -0.018
local terms energy: -97.418841
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -19.222
flat angles C4'-P-C4' energy: -23.969
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -30.318
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: 8
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -252.121477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.121477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.121477 (E_RNA)
where:
Base-Base interactions energy: -153.201
where: short stacking energy: -66.836
Base-Backbone interact. energy: -1.124
local terms energy: -97.796505
where:
bonds (distance) C4'-P energy: -22.777
bonds (distance) P-C4' energy: -20.202
flat angles C4'-P-C4' energy: -18.627
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -23.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -110.963484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.963484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.963484 (E_RNA)
where:
Base-Base interactions energy: -47.266
where: short stacking energy: -37.138
Base-Backbone interact. energy: 0.147
local terms energy: -63.844666
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -16.880
tors. eta vs tors. theta energy: 3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -112.072258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.072258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.072258 (E_RNA)
where:
Base-Base interactions energy: -39.309
where: short stacking energy: -34.744
Base-Backbone interact. energy: -0.419
local terms energy: -72.343695
where:
bonds (distance) C4'-P energy: -21.670
bonds (distance) P-C4' energy: -19.573
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -6.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -106.787875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.787875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.787875 (E_RNA)
where:
Base-Base interactions energy: -41.573
where: short stacking energy: -30.942
Base-Backbone interact. energy: -1.315
local terms energy: -63.900368
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -21.421
flat angles C4'-P-C4' energy: -17.889
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: 3.578
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: 1, replica: 5
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -405.695203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.695203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.695203 (E_RNA)
where:
Base-Base interactions energy: -280.987
where: short stacking energy: -110.872
Base-Backbone interact. energy: -0.448
local terms energy: -124.260243
where:
bonds (distance) C4'-P energy: -24.949
bonds (distance) P-C4' energy: -22.239
flat angles C4'-P-C4' energy: -24.822
flat angles P-C4'-P energy: -18.183
tors. eta vs tors. theta energy: -34.068
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: 9
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -384.701128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.701128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.701128 (E_RNA)
where:
Base-Base interactions energy: -274.678
where: short stacking energy: -112.437
Base-Backbone interact. energy: -0.397
local terms energy: -109.625775
where:
bonds (distance) C4'-P energy: -22.200
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -24.504
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -34.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -325.501601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.501601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.501601 (E_RNA)
where:
Base-Base interactions energy: -223.851
where: short stacking energy: -97.095
Base-Backbone interact. energy: -0.252
local terms energy: -101.397970
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -21.581
flat angles C4'-P-C4' energy: -19.442
flat angles P-C4'-P energy: -16.130
tors. eta vs tors. theta energy: -28.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -335.017697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.017697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.017697 (E_RNA)
where:
Base-Base interactions energy: -216.605
where: short stacking energy: -100.811
Base-Backbone interact. energy: 0.125
local terms energy: -118.538208
where:
bonds (distance) C4'-P energy: -23.674
bonds (distance) P-C4' energy: -24.296
flat angles C4'-P-C4' energy: -20.420
flat angles P-C4'-P energy: -16.067
tors. eta vs tors. theta energy: -34.082
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: 10
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -322.971793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.971793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.971793 (E_RNA)
where:
Base-Base interactions energy: -215.146
where: short stacking energy: -97.373
Base-Backbone interact. energy: -1.331
local terms energy: -106.494647
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -24.698
flat angles C4'-P-C4' energy: -22.946
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -29.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -276.869076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.869076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.869076 (E_RNA)
where:
Base-Base interactions energy: -191.123
where: short stacking energy: -84.828
Base-Backbone interact. energy: -0.789
local terms energy: -84.956502
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -19.086
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -18.800
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: 8
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -245.342581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.342581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.342581 (E_RNA)
where:
Base-Base interactions energy: -153.817
where: short stacking energy: -68.973
Base-Backbone interact. energy: 0.234
local terms energy: -91.760119
where:
bonds (distance) C4'-P energy: -20.938
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -22.074
flat angles P-C4'-P energy: -14.198
tors. eta vs tors. theta energy: -15.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -114.913883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.913883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.913883 (E_RNA)
where:
Base-Base interactions energy: -49.786
where: short stacking energy: -39.504
Base-Backbone interact. energy: -0.011
local terms energy: -65.116282
where:
bonds (distance) C4'-P energy: -20.585
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: 0.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -122.955924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.955924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.955924 (E_RNA)
where:
Base-Base interactions energy: -58.512
where: short stacking energy: -39.354
Base-Backbone interact. energy: -0.959
local terms energy: -63.485714
where:
bonds (distance) C4'-P energy: -18.635
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -4.384
tors. eta vs tors. theta energy: -3.562
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: 6
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -114.259447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.259447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.259447 (E_RNA)
where:
Base-Base interactions energy: -45.898
where: short stacking energy: -35.169
Base-Backbone interact. energy: -0.215
local terms energy: -68.146653
where:
bonds (distance) C4'-P energy: -20.104
bonds (distance) P-C4' energy: -20.443
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -1.206
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: 1, replica: 5
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -389.920334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.920334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.920334 (E_RNA)
where:
Base-Base interactions energy: -267.687
where: short stacking energy: -107.824
Base-Backbone interact. energy: -0.482
local terms energy: -121.751840
where:
bonds (distance) C4'-P energy: -21.027
bonds (distance) P-C4' energy: -23.102
flat angles C4'-P-C4' energy: -25.960
flat angles P-C4'-P energy: -17.922
tors. eta vs tors. theta energy: -33.741
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: 2, replica: 9
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -382.610409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.610409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.610409 (E_RNA)
where:
Base-Base interactions energy: -267.902
where: short stacking energy: -105.954
Base-Backbone interact. energy: -0.206
local terms energy: -114.501997
where:
bonds (distance) C4'-P energy: -21.074
bonds (distance) P-C4' energy: -21.762
flat angles C4'-P-C4' energy: -23.497
flat angles P-C4'-P energy: -14.450
tors. eta vs tors. theta energy: -33.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -329.818293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.818293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.818293 (E_RNA)
where:
Base-Base interactions energy: -224.822
where: short stacking energy: -103.943
Base-Backbone interact. energy: -0.324
local terms energy: -104.672225
where:
bonds (distance) C4'-P energy: -23.513
bonds (distance) P-C4' energy: -20.288
flat angles C4'-P-C4' energy: -23.807
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -25.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -339.846280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.846280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.846280 (E_RNA)
where:
Base-Base interactions energy: -231.798
where: short stacking energy: -105.310
Base-Backbone interact. energy: -0.292
local terms energy: -107.755909
where:
bonds (distance) C4'-P energy: -18.821
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -22.508
flat angles P-C4'-P energy: -17.239
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: 10
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -318.197855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.197855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.197855 (E_RNA)
where:
Base-Base interactions energy: -211.568
where: short stacking energy: -79.671
Base-Backbone interact. energy: -0.993
local terms energy: -105.636743
where:
bonds (distance) C4'-P energy: -20.412
bonds (distance) P-C4' energy: -20.069
flat angles C4'-P-C4' energy: -21.690
flat angles P-C4'-P energy: -17.111
tors. eta vs tors. theta energy: -26.355
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: 193
Temperature: 1.150000
Total energy: -273.965437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.965437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.965437 (E_RNA)
where:
Base-Base interactions energy: -179.917
where: short stacking energy: -86.092
Base-Backbone interact. energy: -0.126
local terms energy: -93.921737
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -24.203
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -24.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -227.218667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.218667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.218667 (E_RNA)
where:
Base-Base interactions energy: -147.894
where: short stacking energy: -70.774
Base-Backbone interact. energy: -0.464
local terms energy: -78.860791
where:
bonds (distance) C4'-P energy: -18.092
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -18.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -150.161602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.161602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.161602 (E_RNA)
where:
Base-Base interactions energy: -59.542
where: short stacking energy: -59.015
Base-Backbone interact. energy: 0.810
local terms energy: -91.429700
where:
bonds (distance) C4'-P energy: -24.742
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -20.416
flat angles P-C4'-P energy: -16.045
tors. eta vs tors. theta energy: -15.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -100.869275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.869275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.869275 (E_RNA)
where:
Base-Base interactions energy: -34.280
where: short stacking energy: -31.945
Base-Backbone interact. energy: 1.433
local terms energy: -68.022130
where:
bonds (distance) C4'-P energy: -21.585
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -14.873
tors. eta vs tors. theta energy: -1.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -97.298376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.298376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.298376 (E_RNA)
where:
Base-Base interactions energy: -36.193
where: short stacking energy: -28.726
Base-Backbone interact. energy: -0.656
local terms energy: -60.449226
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -25.290
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: 1.695
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: 1, replica: 9
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -393.085974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.085974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.085974 (E_RNA)
where:
Base-Base interactions energy: -279.874
where: short stacking energy: -114.243
Base-Backbone interact. energy: -0.436
local terms energy: -112.775311
where:
bonds (distance) C4'-P energy: -20.263
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -22.931
flat angles P-C4'-P energy: -15.055
tors. eta vs tors. theta energy: -32.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -391.499662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.499662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.499662 (E_RNA)
where:
Base-Base interactions energy: -274.596
where: short stacking energy: -109.934
Base-Backbone interact. energy: -0.002
local terms energy: -116.901853
where:
bonds (distance) C4'-P energy: -22.544
bonds (distance) P-C4' energy: -18.296
flat angles C4'-P-C4' energy: -25.323
flat angles P-C4'-P energy: -15.782
tors. eta vs tors. theta energy: -34.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -322.712130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.712130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.712130 (E_RNA)
where:
Base-Base interactions energy: -224.224
where: short stacking energy: -99.458
Base-Backbone interact. energy: -0.260
local terms energy: -98.228508
where:
bonds (distance) C4'-P energy: -23.716
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -20.795
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -22.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -300.026141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.026141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.026141 (E_RNA)
where:
Base-Base interactions energy: -199.790
where: short stacking energy: -87.633
Base-Backbone interact. energy: -0.169
local terms energy: -100.066507
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -24.300
flat angles C4'-P-C4' energy: -24.415
flat angles P-C4'-P energy: -16.925
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: 5, replica: 3
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -309.929732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.929732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.929732 (E_RNA)
where:
Base-Base interactions energy: -204.128
where: short stacking energy: -94.292
Base-Backbone interact. energy: -0.015
local terms energy: -105.787210
where:
bonds (distance) C4'-P energy: -23.041
bonds (distance) P-C4' energy: -17.211
flat angles C4'-P-C4' energy: -20.792
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -31.649
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: 10
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -308.953922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.953922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.953922 (E_RNA)
where:
Base-Base interactions energy: -211.792
where: short stacking energy: -93.089
Base-Backbone interact. energy: -0.117
local terms energy: -97.044482
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -22.039
flat angles C4'-P-C4' energy: -20.986
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -26.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -228.794725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.794725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.794725 (E_RNA)
where:
Base-Base interactions energy: -149.465
where: short stacking energy: -71.251
Base-Backbone interact. energy: -0.145
local terms energy: -79.183971
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -19.051
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -18.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -155.669562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.669562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.669562 (E_RNA)
where:
Base-Base interactions energy: -78.987
where: short stacking energy: -53.688
Base-Backbone interact. energy: 0.302
local terms energy: -76.984029
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -23.253
flat angles P-C4'-P energy: -15.788
tors. eta vs tors. theta energy: -5.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -117.128159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.128159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.128159 (E_RNA)
where:
Base-Base interactions energy: -52.464
where: short stacking energy: -35.467
Base-Backbone interact. energy: 0.530
local terms energy: -65.194333
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -20.513
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -1.900
tors. eta vs tors. theta energy: -14.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -103.806268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.806268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.806268 (E_RNA)
where:
Base-Base interactions energy: -42.191
where: short stacking energy: -29.064
Base-Backbone interact. energy: -0.704
local terms energy: -60.911559
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -26.383
flat angles C4'-P-C4' energy: -7.989
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -0.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -391.447956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.447956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.447956 (E_RNA)
where:
Base-Base interactions energy: -280.168
where: short stacking energy: -112.985
Base-Backbone interact. energy: -0.096
local terms energy: -111.183706
where:
bonds (distance) C4'-P energy: -21.076
bonds (distance) P-C4' energy: -22.358
flat angles C4'-P-C4' energy: -24.329
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -30.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -385.341978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.341978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.341978 (E_RNA)
where:
Base-Base interactions energy: -263.308
where: short stacking energy: -105.064
Base-Backbone interact. energy: -0.135
local terms energy: -121.898758
where:
bonds (distance) C4'-P energy: -22.622
bonds (distance) P-C4' energy: -21.473
flat angles C4'-P-C4' energy: -24.443
flat angles P-C4'-P energy: -17.642
tors. eta vs tors. theta energy: -35.718
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: 4
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -337.088031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.088031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.088031 (E_RNA)
where:
Base-Base interactions energy: -227.801
where: short stacking energy: -95.434
Base-Backbone interact. energy: -0.052
local terms energy: -109.235879
where:
bonds (distance) C4'-P energy: -20.449
bonds (distance) P-C4' energy: -23.371
flat angles C4'-P-C4' energy: -18.747
flat angles P-C4'-P energy: -19.399
tors. eta vs tors. theta energy: -27.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -319.945645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.945645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.945645 (E_RNA)
where:
Base-Base interactions energy: -212.835
where: short stacking energy: -91.407
Base-Backbone interact. energy: -0.001
local terms energy: -107.110198
where:
bonds (distance) C4'-P energy: -20.399
bonds (distance) P-C4' energy: -24.870
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -30.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -298.678083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.678083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.678083 (E_RNA)
where:
Base-Base interactions energy: -196.822
where: short stacking energy: -85.061
Base-Backbone interact. energy: -0.148
local terms energy: -101.707605
where:
bonds (distance) C4'-P energy: -20.809
bonds (distance) P-C4' energy: -20.467
flat angles C4'-P-C4' energy: -23.499
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -24.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -330.899188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.899188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.899188 (E_RNA)
where:
Base-Base interactions energy: -233.490
where: short stacking energy: -97.069
Base-Backbone interact. energy: -0.209
local terms energy: -97.200973
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -11.769
flat angles C4'-P-C4' energy: -24.428
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: -28.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -212.031309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.031309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.031309 (E_RNA)
where:
Base-Base interactions energy: -130.537
where: short stacking energy: -62.316
Base-Backbone interact. energy: -2.057
local terms energy: -79.437870
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -19.588
flat angles C4'-P-C4' energy: -22.682
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -11.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -176.295733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.295733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.295733 (E_RNA)
where:
Base-Base interactions energy: -91.789
where: short stacking energy: -62.314
Base-Backbone interact. energy: -0.357
local terms energy: -84.149346
where:
bonds (distance) C4'-P energy: -18.955
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -18.264
flat angles P-C4'-P energy: -15.348
tors. eta vs tors. theta energy: -13.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -113.496737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.496737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.496737 (E_RNA)
where:
Base-Base interactions energy: -40.138
where: short stacking energy: -40.138
Base-Backbone interact. energy: -0.142
local terms energy: -73.216996
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -18.367
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -8.268
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: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -104.178477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.178477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.178477 (E_RNA)
where:
Base-Base interactions energy: -45.895
where: short stacking energy: -35.725
Base-Backbone interact. energy: 0.693
local terms energy: -58.976977
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -21.810
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: 1.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -395.097189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.097189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.097189 (E_RNA)
where:
Base-Base interactions energy: -271.666
where: short stacking energy: -113.894
Base-Backbone interact. energy: -0.012
local terms energy: -123.420134
where:
bonds (distance) C4'-P energy: -21.852
bonds (distance) P-C4' energy: -24.508
flat angles C4'-P-C4' energy: -22.976
flat angles P-C4'-P energy: -18.414
tors. eta vs tors. theta energy: -35.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -391.820188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.820188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.820188 (E_RNA)
where:
Base-Base interactions energy: -272.804
where: short stacking energy: -110.729
Base-Backbone interact. energy: -0.001
local terms energy: -119.015171
where:
bonds (distance) C4'-P energy: -18.818
bonds (distance) P-C4' energy: -20.959
flat angles C4'-P-C4' energy: -25.038
flat angles P-C4'-P energy: -17.385
tors. eta vs tors. theta energy: -36.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -335.944947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.944947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.944947 (E_RNA)
where:
Base-Base interactions energy: -225.056
where: short stacking energy: -95.132
Base-Backbone interact. energy: -0.095
local terms energy: -110.793326
where:
bonds (distance) C4'-P energy: -23.652
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -20.208
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -28.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -300.906146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.906146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.906146 (E_RNA)
where:
Base-Base interactions energy: -200.888
where: short stacking energy: -83.258
Base-Backbone interact. energy: 1.181
local terms energy: -101.199160
where:
bonds (distance) C4'-P energy: -21.338
bonds (distance) P-C4' energy: -21.175
flat angles C4'-P-C4' energy: -19.618
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -25.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -334.801554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.801554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.801554 (E_RNA)
where:
Base-Base interactions energy: -228.447
where: short stacking energy: -97.351
Base-Backbone interact. energy: -0.061
local terms energy: -106.293420
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -17.296
flat angles C4'-P-C4' energy: -25.276
flat angles P-C4'-P energy: -17.054
tors. eta vs tors. theta energy: -29.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -285.050443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.050443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.050443 (E_RNA)
where:
Base-Base interactions energy: -180.607
where: short stacking energy: -87.182
Base-Backbone interact. energy: -0.402
local terms energy: -104.041497
where:
bonds (distance) C4'-P energy: -18.303
bonds (distance) P-C4' energy: -18.543
flat angles C4'-P-C4' energy: -21.429
flat angles P-C4'-P energy: -17.005
tors. eta vs tors. theta energy: -28.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -229.900236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.900236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.900236 (E_RNA)
where:
Base-Base interactions energy: -145.008
where: short stacking energy: -69.283
Base-Backbone interact. energy: 1.464
local terms energy: -86.356400
where:
bonds (distance) C4'-P energy: -14.229
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -20.844
flat angles P-C4'-P energy: -18.083
tors. eta vs tors. theta energy: -17.281
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: 1
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -112.653057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.653057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.653057 (E_RNA)
where:
Base-Base interactions energy: -41.683
where: short stacking energy: -36.509
Base-Backbone interact. energy: -0.045
local terms energy: -70.924669
where:
bonds (distance) C4'-P energy: -18.716
bonds (distance) P-C4' energy: -18.350
flat angles C4'-P-C4' energy: -18.778
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -4.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -127.802657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.802657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.802657 (E_RNA)
where:
Base-Base interactions energy: -55.862
where: short stacking energy: -42.311
Base-Backbone interact. energy: -0.339
local terms energy: -71.601663
where:
bonds (distance) C4'-P energy: -22.564
bonds (distance) P-C4' energy: -19.166
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -8.377
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: 10, replica: 6
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -109.398934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.398934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.398934 (E_RNA)
where:
Base-Base interactions energy: -52.942
where: short stacking energy: -24.816
Base-Backbone interact. energy: -1.143
local terms energy: -55.313533
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: 6.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -392.903451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.903451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.903451 (E_RNA)
where:
Base-Base interactions energy: -276.819
where: short stacking energy: -112.152
Base-Backbone interact. energy: -0.002
local terms energy: -116.082731
where:
bonds (distance) C4'-P energy: -19.907
bonds (distance) P-C4' energy: -23.512
flat angles C4'-P-C4' energy: -23.682
flat angles P-C4'-P energy: -16.555
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: 2, replica: 5
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -386.966858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.966858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.966858 (E_RNA)
where:
Base-Base interactions energy: -269.550
where: short stacking energy: -110.191
Base-Backbone interact. energy: -0.041
local terms energy: -117.376012
where:
bonds (distance) C4'-P energy: -22.712
bonds (distance) P-C4' energy: -21.501
flat angles C4'-P-C4' energy: -24.426
flat angles P-C4'-P energy: -15.339
tors. eta vs tors. theta energy: -33.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -332.468250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.468250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.468250 (E_RNA)
where:
Base-Base interactions energy: -228.880
where: short stacking energy: -98.546
Base-Backbone interact. energy: -0.007
local terms energy: -103.581334
where:
bonds (distance) C4'-P energy: -19.930
bonds (distance) P-C4' energy: -18.501
flat angles C4'-P-C4' energy: -20.515
flat angles P-C4'-P energy: -16.168
tors. eta vs tors. theta energy: -28.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -348.854027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.854027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.854027 (E_RNA)
where:
Base-Base interactions energy: -243.887
where: short stacking energy: -107.583
Base-Backbone interact. energy: -0.001
local terms energy: -104.966424
where:
bonds (distance) C4'-P energy: -18.777
bonds (distance) P-C4' energy: -18.553
flat angles C4'-P-C4' energy: -21.758
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -32.121
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: 197
Temperature: 1.100000
Total energy: -305.543256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.543256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.543256 (E_RNA)
where:
Base-Base interactions energy: -220.996
where: short stacking energy: -80.706
Base-Backbone interact. energy: -0.768
local terms energy: -83.779341
where:
bonds (distance) C4'-P energy: -20.606
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -15.629
tors. eta vs tors. theta energy: -19.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -292.957116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.957116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.957116 (E_RNA)
where:
Base-Base interactions energy: -196.355
where: short stacking energy: -81.285
Base-Backbone interact. energy: 1.117
local terms energy: -97.719179
where:
bonds (distance) C4'-P energy: -21.501
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -20.979
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: -23.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -250.786365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.786365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.786365 (E_RNA)
where:
Base-Base interactions energy: -151.097
where: short stacking energy: -75.342
Base-Backbone interact. energy: -0.038
local terms energy: -99.651511
where:
bonds (distance) C4'-P energy: -18.183
bonds (distance) P-C4' energy: -23.620
flat angles C4'-P-C4' energy: -23.857
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -19.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -124.720787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.720787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.720787 (E_RNA)
where:
Base-Base interactions energy: -45.046
where: short stacking energy: -43.278
Base-Backbone interact. energy: -0.457
local terms energy: -79.218337
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -20.948
flat angles C4'-P-C4' energy: -20.079
flat angles P-C4'-P energy: -13.192
tors. eta vs tors. theta energy: -11.823
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: 1
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -109.316734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.316734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.316734 (E_RNA)
where:
Base-Base interactions energy: -49.674
where: short stacking energy: -32.759
Base-Backbone interact. energy: -0.156
local terms energy: -59.486959
where:
bonds (distance) C4'-P energy: -19.366
bonds (distance) P-C4' energy: -21.422
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -1.617
tors. eta vs tors. theta energy: 0.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -137.918383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.918383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.918383 (E_RNA)
where:
Base-Base interactions energy: -65.243
where: short stacking energy: -40.615
Base-Backbone interact. energy: -0.256
local terms energy: -72.419222
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -23.641
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -6.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -390.149088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.149088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.149088 (E_RNA)
where:
Base-Base interactions energy: -278.546
where: short stacking energy: -110.299
Base-Backbone interact. energy: -0.034
local terms energy: -111.569328
where:
bonds (distance) C4'-P energy: -18.518
bonds (distance) P-C4' energy: -18.996
flat angles C4'-P-C4' energy: -24.583
flat angles P-C4'-P energy: -14.911
tors. eta vs tors. theta energy: -34.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -388.733224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.733224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.733224 (E_RNA)
where:
Base-Base interactions energy: -277.857
where: short stacking energy: -105.080
Base-Backbone interact. energy: -0.039
local terms energy: -110.837353
where:
bonds (distance) C4'-P energy: -18.610
bonds (distance) P-C4' energy: -18.894
flat angles C4'-P-C4' energy: -25.361
flat angles P-C4'-P energy: -15.501
tors. eta vs tors. theta energy: -32.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -366.843596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.843596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.843596 (E_RNA)
where:
Base-Base interactions energy: -248.774
where: short stacking energy: -100.809
Base-Backbone interact. energy: -0.237
local terms energy: -117.832926
where:
bonds (distance) C4'-P energy: -20.222
bonds (distance) P-C4' energy: -24.595
flat angles C4'-P-C4' energy: -25.824
flat angles P-C4'-P energy: -14.472
tors. eta vs tors. theta energy: -32.720
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: 4, replica: 4
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -321.254825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.254825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.254825 (E_RNA)
where:
Base-Base interactions energy: -216.654
where: short stacking energy: -97.625
Base-Backbone interact. energy: -0.032
local terms energy: -104.568997
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -22.338
flat angles C4'-P-C4' energy: -21.249
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -28.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -311.269135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.269135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.269135 (E_RNA)
where:
Base-Base interactions energy: -204.077
where: short stacking energy: -95.399
Base-Backbone interact. energy: -0.027
local terms energy: -107.164971
where:
bonds (distance) C4'-P energy: -18.713
bonds (distance) P-C4' energy: -23.981
flat angles C4'-P-C4' energy: -19.980
flat angles P-C4'-P energy: -16.955
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: 6, replica: 3
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -279.165985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.165985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.165985 (E_RNA)
where:
Base-Base interactions energy: -192.203
where: short stacking energy: -78.168
Base-Backbone interact. energy: -0.779
local terms energy: -86.184369
where:
bonds (distance) C4'-P energy: -23.130
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -20.722
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -17.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -232.127451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.127451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.127451 (E_RNA)
where:
Base-Base interactions energy: -137.074
where: short stacking energy: -73.407
Base-Backbone interact. energy: -0.298
local terms energy: -94.755622
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -20.925
flat angles C4'-P-C4' energy: -23.661
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -23.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -109.634494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.634494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.634494 (E_RNA)
where:
Base-Base interactions energy: -43.147
where: short stacking energy: -42.129
Base-Backbone interact. energy: -0.072
local terms energy: -66.415108
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -18.308
flat angles P-C4'-P energy: -4.913
tors. eta vs tors. theta energy: -8.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -104.902800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.902800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.902800 (E_RNA)
where:
Base-Base interactions energy: -33.871
where: short stacking energy: -32.046
Base-Backbone interact. energy: -0.136
local terms energy: -70.896143
where:
bonds (distance) C4'-P energy: -18.995
bonds (distance) P-C4' energy: -20.027
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -14.741
tors. eta vs tors. theta energy: -3.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -108.125751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.125751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.125751 (E_RNA)
where:
Base-Base interactions energy: -34.473
where: short stacking energy: -23.110
Base-Backbone interact. energy: -1.103
local terms energy: -72.549977
where:
bonds (distance) C4'-P energy: -15.815
bonds (distance) P-C4' energy: -25.368
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: -0.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -390.596082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.596082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.596082 (E_RNA)
where:
Base-Base interactions energy: -274.478
where: short stacking energy: -109.474
Base-Backbone interact. energy: -0.088
local terms energy: -116.029491
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -24.124
flat angles C4'-P-C4' energy: -21.663
flat angles P-C4'-P energy: -17.351
tors. eta vs tors. theta energy: -35.037
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: 10
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -379.603941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.603941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.603941 (E_RNA)
where:
Base-Base interactions energy: -267.404
where: short stacking energy: -106.765
Base-Backbone interact. energy: -0.260
local terms energy: -111.939881
where:
bonds (distance) C4'-P energy: -18.859
bonds (distance) P-C4' energy: -22.483
flat angles C4'-P-C4' energy: -22.707
flat angles P-C4'-P energy: -18.116
tors. eta vs tors. theta energy: -29.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -384.503508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.503508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.503508 (E_RNA)
where:
Base-Base interactions energy: -271.187
where: short stacking energy: -111.566
Base-Backbone interact. energy: -0.001
local terms energy: -113.315703
where:
bonds (distance) C4'-P energy: -20.535
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -23.680
flat angles P-C4'-P energy: -14.782
tors. eta vs tors. theta energy: -33.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -311.860443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.860443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.860443 (E_RNA)
where:
Base-Base interactions energy: -209.190
where: short stacking energy: -83.468
Base-Backbone interact. energy: -0.984
local terms energy: -101.686410
where:
bonds (distance) C4'-P energy: -19.864
bonds (distance) P-C4' energy: -20.407
flat angles C4'-P-C4' energy: -21.639
flat angles P-C4'-P energy: -14.798
tors. eta vs tors. theta energy: -24.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -301.665304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.665304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.665304 (E_RNA)
where:
Base-Base interactions energy: -203.273
where: short stacking energy: -73.662
Base-Backbone interact. energy: -0.061
local terms energy: -98.331069
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -21.161
flat angles C4'-P-C4' energy: -20.465
flat angles P-C4'-P energy: -17.045
tors. eta vs tors. theta energy: -20.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -279.331728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.331728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.331728 (E_RNA)
where:
Base-Base interactions energy: -182.021
where: short stacking energy: -77.386
Base-Backbone interact. energy: -0.111
local terms energy: -97.199520
where:
bonds (distance) C4'-P energy: -23.197
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -22.938
flat angles P-C4'-P energy: -14.139
tors. eta vs tors. theta energy: -21.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -223.570237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.570237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.570237 (E_RNA)
where:
Base-Base interactions energy: -144.295
where: short stacking energy: -58.751
Base-Backbone interact. energy: -0.425
local terms energy: -78.850069
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -24.553
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -13.052
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: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -121.405888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.405888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.405888 (E_RNA)
where:
Base-Base interactions energy: -48.110
where: short stacking energy: -38.461
Base-Backbone interact. energy: -0.240
local terms energy: -73.055625
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -20.247
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -5.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -108.967232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.967232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.967232 (E_RNA)
where:
Base-Base interactions energy: -36.314
where: short stacking energy: -34.626
Base-Backbone interact. energy: -0.239
local terms energy: -72.414165
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -21.307
flat angles P-C4'-P energy: -6.495
tors. eta vs tors. theta energy: -4.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -107.681468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.681468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.681468 (E_RNA)
where:
Base-Base interactions energy: -47.910
where: short stacking energy: -37.748
Base-Backbone interact. energy: -0.104
local terms energy: -59.667329
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -0.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -370.545231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.545231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.545231 (E_RNA)
where:
Base-Base interactions energy: -255.862
where: short stacking energy: -107.761
Base-Backbone interact. energy: -0.876
local terms energy: -113.806885
where:
bonds (distance) C4'-P energy: -22.490
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -24.319
flat angles P-C4'-P energy: -15.053
tors. eta vs tors. theta energy: -30.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -383.542166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.542166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.542166 (E_RNA)
where:
Base-Base interactions energy: -267.534
where: short stacking energy: -106.103
Base-Backbone interact. energy: -0.200
local terms energy: -115.808820
where:
bonds (distance) C4'-P energy: -21.282
bonds (distance) P-C4' energy: -19.192
flat angles C4'-P-C4' energy: -23.510
flat angles P-C4'-P energy: -17.908
tors. eta vs tors. theta energy: -33.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -387.465172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.465172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.465172 (E_RNA)
where:
Base-Base interactions energy: -279.723
where: short stacking energy: -111.983
Base-Backbone interact. energy: -0.029
local terms energy: -107.713284
where:
bonds (distance) C4'-P energy: -18.746
bonds (distance) P-C4' energy: -18.453
flat angles C4'-P-C4' energy: -24.083
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -33.870
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: 2
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -304.237913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.237913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.237913 (E_RNA)
where:
Base-Base interactions energy: -195.271
where: short stacking energy: -83.260
Base-Backbone interact. energy: -0.451
local terms energy: -108.515348
where:
bonds (distance) C4'-P energy: -24.026
bonds (distance) P-C4' energy: -21.068
flat angles C4'-P-C4' energy: -22.676
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -29.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -291.870258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.870258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.870258 (E_RNA)
where:
Base-Base interactions energy: -190.750
where: short stacking energy: -80.652
Base-Backbone interact. energy: -0.105
local terms energy: -101.015214
where:
bonds (distance) C4'-P energy: -18.338
bonds (distance) P-C4' energy: -21.216
flat angles C4'-P-C4' energy: -21.990
flat angles P-C4'-P energy: -15.042
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: 6, replica: 4
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -314.316976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.316976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.316976 (E_RNA)
where:
Base-Base interactions energy: -215.370
where: short stacking energy: -90.397
Base-Backbone interact. energy: -0.016
local terms energy: -98.931695
where:
bonds (distance) C4'-P energy: -16.920
bonds (distance) P-C4' energy: -21.023
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: -30.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -212.111320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.111320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.111320 (E_RNA)
where:
Base-Base interactions energy: -127.282
where: short stacking energy: -48.021
Base-Backbone interact. energy: -0.138
local terms energy: -84.690804
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -24.247
flat angles C4'-P-C4' energy: -21.330
flat angles P-C4'-P energy: -16.333
tors. eta vs tors. theta energy: -10.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -118.561096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.561096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.561096 (E_RNA)
where:
Base-Base interactions energy: -55.265
where: short stacking energy: -29.084
Base-Backbone interact. energy: -0.488
local terms energy: -62.808346
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -18.456
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -5.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -154.836239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.836239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.836239 (E_RNA)
where:
Base-Base interactions energy: -82.809
where: short stacking energy: -45.272
Base-Backbone interact. energy: 0.535
local terms energy: -72.562360
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -22.094
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -9.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -102.880002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.880002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.880002 (E_RNA)
where:
Base-Base interactions energy: -34.262
where: short stacking energy: -31.917
Base-Backbone interact. energy: -0.244
local terms energy: -68.374593
where:
bonds (distance) C4'-P energy: -21.770
bonds (distance) P-C4' energy: -23.260
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -6.627
tors. eta vs tors. theta energy: -1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -377.935516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.935516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.935516 (E_RNA)
where:
Base-Base interactions energy: -261.357
where: short stacking energy: -109.303
Base-Backbone interact. energy: -0.644
local terms energy: -115.935340
where:
bonds (distance) C4'-P energy: -21.087
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -21.932
flat angles P-C4'-P energy: -14.766
tors. eta vs tors. theta energy: -37.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -392.588245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.588245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.588245 (E_RNA)
where:
Base-Base interactions energy: -272.912
where: short stacking energy: -111.986
Base-Backbone interact. energy: -0.206
local terms energy: -119.470020
where:
bonds (distance) C4'-P energy: -20.529
bonds (distance) P-C4' energy: -25.023
flat angles C4'-P-C4' energy: -23.126
flat angles P-C4'-P energy: -14.858
tors. eta vs tors. theta energy: -35.933
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: 5
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -380.198245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.198245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.198245 (E_RNA)
where:
Base-Base interactions energy: -266.938
where: short stacking energy: -110.381
Base-Backbone interact. energy: -0.140
local terms energy: -113.120932
where:
bonds (distance) C4'-P energy: -23.405
bonds (distance) P-C4' energy: -21.549
flat angles C4'-P-C4' energy: -19.643
flat angles P-C4'-P energy: -15.600
tors. eta vs tors. theta energy: -32.924
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: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -296.501011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.501011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.501011 (E_RNA)
where:
Base-Base interactions energy: -200.311
where: short stacking energy: -84.344
Base-Backbone interact. energy: -0.104
local terms energy: -96.086075
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -19.732
flat angles C4'-P-C4' energy: -22.484
flat angles P-C4'-P energy: -14.392
tors. eta vs tors. theta energy: -24.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -295.442827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.442827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.442827 (E_RNA)
where:
Base-Base interactions energy: -204.170
where: short stacking energy: -84.926
Base-Backbone interact. energy: -0.378
local terms energy: -90.895051
where:
bonds (distance) C4'-P energy: -20.855
bonds (distance) P-C4' energy: -20.350
flat angles C4'-P-C4' energy: -19.394
flat angles P-C4'-P energy: -9.443
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: 6, replica: 4
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -304.878418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.878418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.878418 (E_RNA)
where:
Base-Base interactions energy: -212.220
where: short stacking energy: -84.342
Base-Backbone interact. energy: -0.163
local terms energy: -92.496102
where:
bonds (distance) C4'-P energy: -17.625
bonds (distance) P-C4' energy: -22.068
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -9.959
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: 7, replica: 8
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -205.322913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.322913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.322913 (E_RNA)
where:
Base-Base interactions energy: -126.907
where: short stacking energy: -66.632
Base-Backbone interact. energy: -0.081
local terms energy: -78.335476
where:
bonds (distance) C4'-P energy: -20.399
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -17.000
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: 1
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -108.443710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.443710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.443710 (E_RNA)
where:
Base-Base interactions energy: -38.132
where: short stacking energy: -37.083
Base-Backbone interact. energy: 0.069
local terms energy: -70.381282
where:
bonds (distance) C4'-P energy: -22.977
bonds (distance) P-C4' energy: -18.736
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -15.763
tors. eta vs tors. theta energy: 2.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -124.363130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.363130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.363130 (E_RNA)
where:
Base-Base interactions energy: -52.288
where: short stacking energy: -38.835
Base-Backbone interact. energy: 0.023
local terms energy: -72.098814
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -19.998
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -13.286
tors. eta vs tors. theta energy: -4.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -100.619621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.619621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.619621 (E_RNA)
where:
Base-Base interactions energy: -38.022
where: short stacking energy: -38.022
Base-Backbone interact. energy: -0.626
local terms energy: -61.971130
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -10.900
flat angles C4'-P-C4' energy: -18.394
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -5.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -394.768270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.768270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.768270 (E_RNA)
where:
Base-Base interactions energy: -283.457
where: short stacking energy: -113.908
Base-Backbone interact. energy: -0.111
local terms energy: -111.200351
where:
bonds (distance) C4'-P energy: -19.349
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -26.911
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -35.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -364.768516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.768516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.768516 (E_RNA)
where:
Base-Base interactions energy: -253.776
where: short stacking energy: -112.709
Base-Backbone interact. energy: -1.123
local terms energy: -109.870195
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -20.009
flat angles C4'-P-C4' energy: -22.394
flat angles P-C4'-P energy: -17.022
tors. eta vs tors. theta energy: -34.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -380.507793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.507793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.507793 (E_RNA)
where:
Base-Base interactions energy: -263.738
where: short stacking energy: -107.662
Base-Backbone interact. energy: -0.010
local terms energy: -116.759923
where:
bonds (distance) C4'-P energy: -21.998
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -21.633
flat angles P-C4'-P energy: -20.494
tors. eta vs tors. theta energy: -33.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -302.511618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.511618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.511618 (E_RNA)
where:
Base-Base interactions energy: -207.516
where: short stacking energy: -89.093
Base-Backbone interact. energy: -0.049
local terms energy: -94.947496
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -22.662
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -28.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -303.463442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.463442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.463442 (E_RNA)
where:
Base-Base interactions energy: -201.912
where: short stacking energy: -88.545
Base-Backbone interact. energy: -0.209
local terms energy: -101.341732
where:
bonds (distance) C4'-P energy: -17.603
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -27.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -274.813202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.813202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.813202 (E_RNA)
where:
Base-Base interactions energy: -184.273
where: short stacking energy: -78.089
Base-Backbone interact. energy: -0.308
local terms energy: -90.233082
where:
bonds (distance) C4'-P energy: -17.570
bonds (distance) P-C4' energy: -19.052
flat angles C4'-P-C4' energy: -21.519
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -19.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -226.880355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.880355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.880355 (E_RNA)
where:
Base-Base interactions energy: -135.315
where: short stacking energy: -61.441
Base-Backbone interact. energy: -0.003
local terms energy: -91.562296
where:
bonds (distance) C4'-P energy: -19.343
bonds (distance) P-C4' energy: -18.106
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -14.517
tors. eta vs tors. theta energy: -23.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -131.635734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.635734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.635734 (E_RNA)
where:
Base-Base interactions energy: -61.967
where: short stacking energy: -42.941
Base-Backbone interact. energy: -0.368
local terms energy: -69.301389
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -8.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -127.454833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.454833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.454833 (E_RNA)
where:
Base-Base interactions energy: -57.636
where: short stacking energy: -43.367
Base-Backbone interact. energy: 0.840
local terms energy: -70.658424
where:
bonds (distance) C4'-P energy: -22.390
bonds (distance) P-C4' energy: -19.927
flat angles C4'-P-C4' energy: -20.615
flat angles P-C4'-P energy: -5.890
tors. eta vs tors. theta energy: -1.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -109.474711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.474711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.474711 (E_RNA)
where:
Base-Base interactions energy: -46.049
where: short stacking energy: -42.036
Base-Backbone interact. energy: -0.437
local terms energy: -62.988842
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -19.014
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -6.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -394.008647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.008647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.008647 (E_RNA)
where:
Base-Base interactions energy: -278.758
where: short stacking energy: -112.549
Base-Backbone interact. energy: -0.216
local terms energy: -115.034746
where:
bonds (distance) C4'-P energy: -24.515
bonds (distance) P-C4' energy: -20.078
flat angles C4'-P-C4' energy: -24.423
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -34.665
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: 5
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -381.219652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.219652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.219652 (E_RNA)
where:
Base-Base interactions energy: -276.979
where: short stacking energy: -114.195
Base-Backbone interact. energy: -0.142
local terms energy: -104.098817
where:
bonds (distance) C4'-P energy: -19.749
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -23.131
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -31.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -362.801971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.801971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.801971 (E_RNA)
where:
Base-Base interactions energy: -255.983
where: short stacking energy: -104.632
Base-Backbone interact. energy: -0.003
local terms energy: -106.816220
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -21.149
flat angles C4'-P-C4' energy: -21.295
flat angles P-C4'-P energy: -15.376
tors. eta vs tors. theta energy: -29.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -311.110674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.110674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.110674 (E_RNA)
where:
Base-Base interactions energy: -203.511
where: short stacking energy: -90.454
Base-Backbone interact. energy: -0.001
local terms energy: -107.598963
where:
bonds (distance) C4'-P energy: -21.346
bonds (distance) P-C4' energy: -22.761
flat angles C4'-P-C4' energy: -23.447
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -29.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -312.850911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.850911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.850911 (E_RNA)
where:
Base-Base interactions energy: -217.789
where: short stacking energy: -85.224
Base-Backbone interact. energy: -0.504
local terms energy: -94.557575
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -23.290
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -14.980
tors. eta vs tors. theta energy: -27.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -283.204067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.204067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.204067 (E_RNA)
where:
Base-Base interactions energy: -194.051
where: short stacking energy: -77.922
Base-Backbone interact. energy: -0.217
local terms energy: -88.935812
where:
bonds (distance) C4'-P energy: -17.118
bonds (distance) P-C4' energy: -19.120
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -21.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -209.570426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.570426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.570426 (E_RNA)
where:
Base-Base interactions energy: -129.171
where: short stacking energy: -67.075
Base-Backbone interact. energy: -0.108
local terms energy: -80.291487
where:
bonds (distance) C4'-P energy: -7.291
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -14.841
tors. eta vs tors. theta energy: -16.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -141.251673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.251673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.251673 (E_RNA)
where:
Base-Base interactions energy: -66.743
where: short stacking energy: -44.035
Base-Backbone interact. energy: -0.178
local terms energy: -74.331315
where:
bonds (distance) C4'-P energy: -22.672
bonds (distance) P-C4' energy: -18.293
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -8.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -116.955414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.955414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.955414 (E_RNA)
where:
Base-Base interactions energy: -43.650
where: short stacking energy: -39.570
Base-Backbone interact. energy: -0.289
local terms energy: -73.017033
where:
bonds (distance) C4'-P energy: -20.875
bonds (distance) P-C4' energy: -18.332
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -6.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -94.819925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.819925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.819925 (E_RNA)
where:
Base-Base interactions energy: -30.798
where: short stacking energy: -28.503
Base-Backbone interact. energy: -0.821
local terms energy: -63.200172
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -25.002
flat angles C4'-P-C4' energy: -20.131
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: 5.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -399.063636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.063636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.063636 (E_RNA)
where:
Base-Base interactions energy: -281.889
where: short stacking energy: -119.132
Base-Backbone interact. energy: -0.043
local terms energy: -117.131722
where:
bonds (distance) C4'-P energy: -20.802
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -24.253
flat angles P-C4'-P energy: -19.045
tors. eta vs tors. theta energy: -34.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -378.132835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.132835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.132835 (E_RNA)
where:
Base-Base interactions energy: -259.266
where: short stacking energy: -104.874
Base-Backbone interact. energy: -0.004
local terms energy: -118.863363
where:
bonds (distance) C4'-P energy: -24.179
bonds (distance) P-C4' energy: -19.579
flat angles C4'-P-C4' energy: -21.078
flat angles P-C4'-P energy: -18.366
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: 10
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -356.449058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.449058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.449058 (E_RNA)
where:
Base-Base interactions energy: -251.709
where: short stacking energy: -114.832
Base-Backbone interact. energy: -0.493
local terms energy: -104.247364
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -21.574
flat angles C4'-P-C4' energy: -21.458
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -29.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -322.978506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.978506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.978506 (E_RNA)
where:
Base-Base interactions energy: -218.876
where: short stacking energy: -82.488
Base-Backbone interact. energy: 0.021
local terms energy: -104.122880
where:
bonds (distance) C4'-P energy: -23.147
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -24.546
flat angles P-C4'-P energy: -12.379
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: 5, replica: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -300.767766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.767766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.767766 (E_RNA)
where:
Base-Base interactions energy: -204.591
where: short stacking energy: -91.351
Base-Backbone interact. energy: -0.475
local terms energy: -95.701906
where:
bonds (distance) C4'-P energy: -23.864
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -20.961
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -23.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -263.323470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.323470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.323470 (E_RNA)
where:
Base-Base interactions energy: -168.140
where: short stacking energy: -86.531
Base-Backbone interact. energy: 2.039
local terms energy: -97.222294
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -19.529
flat angles C4'-P-C4' energy: -21.566
flat angles P-C4'-P energy: -14.297
tors. eta vs tors. theta energy: -25.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -241.872087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.872087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.872087 (E_RNA)
where:
Base-Base interactions energy: -150.506
where: short stacking energy: -74.837
Base-Backbone interact. energy: -0.408
local terms energy: -90.957643
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -19.493
flat angles P-C4'-P energy: -15.722
tors. eta vs tors. theta energy: -21.191
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: 1
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -149.848103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.848103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.848103 (E_RNA)
where:
Base-Base interactions energy: -83.147
where: short stacking energy: -54.851
Base-Backbone interact. energy: 2.019
local terms energy: -68.719792
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -22.287
flat angles C4'-P-C4' energy: -19.468
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -5.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -111.433426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.433426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.433426 (E_RNA)
where:
Base-Base interactions energy: -46.148
where: short stacking energy: -32.107
Base-Backbone interact. energy: -0.252
local terms energy: -65.033406
where:
bonds (distance) C4'-P energy: -18.015
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -4.368
tors. eta vs tors. theta energy: -7.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -128.840401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.840401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.840401 (E_RNA)
where:
Base-Base interactions energy: -45.005
where: short stacking energy: -41.187
Base-Backbone interact. energy: -0.177
local terms energy: -83.658834
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -22.628
flat angles C4'-P-C4' energy: -19.040
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -12.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -396.309826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.309826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.309826 (E_RNA)
where:
Base-Base interactions energy: -274.010
where: short stacking energy: -113.197
Base-Backbone interact. energy: -0.124
local terms energy: -122.175946
where:
bonds (distance) C4'-P energy: -20.420
bonds (distance) P-C4' energy: -24.747
flat angles C4'-P-C4' energy: -24.042
flat angles P-C4'-P energy: -16.202
tors. eta vs tors. theta energy: -36.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -383.394015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.394015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.394015 (E_RNA)
where:
Base-Base interactions energy: -271.340
where: short stacking energy: -112.079
Base-Backbone interact. energy: -0.035
local terms energy: -112.019349
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -19.836
flat angles C4'-P-C4' energy: -22.887
flat angles P-C4'-P energy: -15.466
tors. eta vs tors. theta energy: -34.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -353.573777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.573777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.573777 (E_RNA)
where:
Base-Base interactions energy: -242.972
where: short stacking energy: -101.789
Base-Backbone interact. energy: -0.357
local terms energy: -110.245213
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -21.806
flat angles P-C4'-P energy: -15.349
tors. eta vs tors. theta energy: -33.643
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: 4, replica: 2
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -304.833887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.833887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.833887 (E_RNA)
where:
Base-Base interactions energy: -204.509
where: short stacking energy: -78.692
Base-Backbone interact. energy: -0.488
local terms energy: -99.836889
where:
bonds (distance) C4'-P energy: -23.074
bonds (distance) P-C4' energy: -21.577
flat angles C4'-P-C4' energy: -19.189
flat angles P-C4'-P energy: -15.060
tors. eta vs tors. theta energy: -20.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -310.339146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.339146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.339146 (E_RNA)
where:
Base-Base interactions energy: -203.694
where: short stacking energy: -80.160
Base-Backbone interact. energy: -0.741
local terms energy: -105.903656
where:
bonds (distance) C4'-P energy: -20.659
bonds (distance) P-C4' energy: -23.722
flat angles C4'-P-C4' energy: -18.808
flat angles P-C4'-P energy: -18.989
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: 205
Temperature: 1.150000
Total energy: -255.478622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.478622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.478622 (E_RNA)
where:
Base-Base interactions energy: -167.535
where: short stacking energy: -74.665
Base-Backbone interact. energy: -0.329
local terms energy: -87.615045
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -18.319
flat angles C4'-P-C4' energy: -20.727
flat angles P-C4'-P energy: -17.728
tors. eta vs tors. theta energy: -13.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -247.936245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.936245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.936245 (E_RNA)
where:
Base-Base interactions energy: -149.081
where: short stacking energy: -76.806
Base-Backbone interact. energy: -0.216
local terms energy: -98.639462
where:
bonds (distance) C4'-P energy: -19.906
bonds (distance) P-C4' energy: -25.501
flat angles C4'-P-C4' energy: -22.070
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -18.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -121.213597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.213597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.213597 (E_RNA)
where:
Base-Base interactions energy: -47.087
where: short stacking energy: -43.300
Base-Backbone interact. energy: -0.253
local terms energy: -73.873779
where:
bonds (distance) C4'-P energy: -18.490
bonds (distance) P-C4' energy: -18.509
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -15.978
tors. eta vs tors. theta energy: -3.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -139.946038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.946038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.946038 (E_RNA)
where:
Base-Base interactions energy: -68.136
where: short stacking energy: -39.319
Base-Backbone interact. energy: -0.407
local terms energy: -71.403713
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -23.045
flat angles C4'-P-C4' energy: -20.179
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -0.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -104.382812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.382812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.382812 (E_RNA)
where:
Base-Base interactions energy: -38.123
where: short stacking energy: -38.123
Base-Backbone interact. energy: -0.172
local terms energy: -66.087934
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -24.856
flat angles C4'-P-C4' energy: -20.514
flat angles P-C4'-P energy: -12.233
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: 5
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -389.985270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.985270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.985270 (E_RNA)
where:
Base-Base interactions energy: -272.275
where: short stacking energy: -110.568
Base-Backbone interact. energy: -0.119
local terms energy: -117.590973
where:
bonds (distance) C4'-P energy: -22.287
bonds (distance) P-C4' energy: -20.360
flat angles C4'-P-C4' energy: -24.911
flat angles P-C4'-P energy: -15.647
tors. eta vs tors. theta energy: -34.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -384.520521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.520521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.520521 (E_RNA)
where:
Base-Base interactions energy: -269.234
where: short stacking energy: -115.675
Base-Backbone interact. energy: -0.009
local terms energy: -115.277486
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -23.614
flat angles P-C4'-P energy: -16.454
tors. eta vs tors. theta energy: -35.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -366.289319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.289319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.289319 (E_RNA)
where:
Base-Base interactions energy: -254.466
where: short stacking energy: -110.645
Base-Backbone interact. energy: -0.006
local terms energy: -111.818037
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -20.824
flat angles C4'-P-C4' energy: -23.681
flat angles P-C4'-P energy: -18.087
tors. eta vs tors. theta energy: -33.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -296.549659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.549659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.549659 (E_RNA)
where:
Base-Base interactions energy: -189.946
where: short stacking energy: -87.688
Base-Backbone interact. energy: -0.954
local terms energy: -105.650247
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -24.635
flat angles C4'-P-C4' energy: -22.852
flat angles P-C4'-P energy: -15.782
tors. eta vs tors. theta energy: -25.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -320.605537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.605537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.605537 (E_RNA)
where:
Base-Base interactions energy: -219.599
where: short stacking energy: -88.099
Base-Backbone interact. energy: -0.703
local terms energy: -100.304152
where:
bonds (distance) C4'-P energy: -19.299
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -21.961
flat angles P-C4'-P energy: -15.977
tors. eta vs tors. theta energy: -26.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -271.818765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.818765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.818765 (E_RNA)
where:
Base-Base interactions energy: -187.191
where: short stacking energy: -79.658
Base-Backbone interact. energy: -0.691
local terms energy: -83.936735
where:
bonds (distance) C4'-P energy: -22.681
bonds (distance) P-C4' energy: -16.940
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -17.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -120.366164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.366164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.366164 (E_RNA)
where:
Base-Base interactions energy: -44.297
where: short stacking energy: -39.191
Base-Backbone interact. energy: -0.219
local terms energy: -75.849400
where:
bonds (distance) C4'-P energy: -21.897
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -19.064
flat angles P-C4'-P energy: -13.765
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: 8, replica: 8
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -225.710593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.710593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.710593 (E_RNA)
where:
Base-Base interactions energy: -145.450
where: short stacking energy: -66.226
Base-Backbone interact. energy: 1.335
local terms energy: -81.595892
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -15.145
tors. eta vs tors. theta energy: -17.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -117.449997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.449997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.449997 (E_RNA)
where:
Base-Base interactions energy: -47.046
where: short stacking energy: -35.557
Base-Backbone interact. energy: 0.200
local terms energy: -70.604026
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -4.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -102.834364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.834364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.834364 (E_RNA)
where:
Base-Base interactions energy: -29.975
where: short stacking energy: -29.975
Base-Backbone interact. energy: 1.087
local terms energy: -73.946253
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -19.444
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -5.686
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: 5
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -393.775537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.775537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.775537 (E_RNA)
where:
Base-Base interactions energy: -279.094
where: short stacking energy: -115.617
Base-Backbone interact. energy: -0.002
local terms energy: -114.680183
where:
bonds (distance) C4'-P energy: -20.760
bonds (distance) P-C4' energy: -21.191
flat angles C4'-P-C4' energy: -22.621
flat angles P-C4'-P energy: -14.678
tors. eta vs tors. theta energy: -35.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -386.258113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.258113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.258113 (E_RNA)
where:
Base-Base interactions energy: -272.790
where: short stacking energy: -110.150
Base-Backbone interact. energy: 0.703
local terms energy: -114.171292
where:
bonds (distance) C4'-P energy: -19.922
bonds (distance) P-C4' energy: -20.552
flat angles C4'-P-C4' energy: -24.928
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -34.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -362.395363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.395363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.395363 (E_RNA)
where:
Base-Base interactions energy: -246.657
where: short stacking energy: -110.444
Base-Backbone interact. energy: -0.076
local terms energy: -115.662854
where:
bonds (distance) C4'-P energy: -19.782
bonds (distance) P-C4' energy: -23.944
flat angles C4'-P-C4' energy: -24.042
flat angles P-C4'-P energy: -15.496
tors. eta vs tors. theta energy: -32.398
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: 4
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -338.907967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.907967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.907967 (E_RNA)
where:
Base-Base interactions energy: -231.024
where: short stacking energy: -103.001
Base-Backbone interact. energy: 0.606
local terms energy: -108.489871
where:
bonds (distance) C4'-P energy: -20.201
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -20.475
flat angles P-C4'-P energy: -21.220
tors. eta vs tors. theta energy: -27.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -290.413845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.413845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.413845 (E_RNA)
where:
Base-Base interactions energy: -191.629
where: short stacking energy: -86.598
Base-Backbone interact. energy: -0.992
local terms energy: -97.793129
where:
bonds (distance) C4'-P energy: -19.351
bonds (distance) P-C4' energy: -19.662
flat angles C4'-P-C4' energy: -20.556
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -25.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -257.019926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.019926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.019926 (E_RNA)
where:
Base-Base interactions energy: -164.692
where: short stacking energy: -78.260
Base-Backbone interact. energy: -0.937
local terms energy: -91.390470
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -20.739
flat angles C4'-P-C4' energy: -20.138
flat angles P-C4'-P energy: -13.825
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: 7, replica: 6
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -130.520785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.520785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.520785 (E_RNA)
where:
Base-Base interactions energy: -63.238
where: short stacking energy: -34.301
Base-Backbone interact. energy: -0.383
local terms energy: -66.899545
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -19.275
flat angles C4'-P-C4' energy: -19.140
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -1.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -202.261192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.261192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.261192 (E_RNA)
where:
Base-Base interactions energy: -107.899
where: short stacking energy: -52.186
Base-Backbone interact. energy: -0.151
local terms energy: -94.211201
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -23.788
flat angles C4'-P-C4' energy: -22.355
flat angles P-C4'-P energy: -15.828
tors. eta vs tors. theta energy: -13.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -99.124048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.124048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.124048 (E_RNA)
where:
Base-Base interactions energy: -38.696
where: short stacking energy: -29.204
Base-Backbone interact. energy: -0.415
local terms energy: -60.013819
where:
bonds (distance) C4'-P energy: -19.439
bonds (distance) P-C4' energy: -22.221
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -4.160
tors. eta vs tors. theta energy: 2.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -106.149816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.149816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.149816 (E_RNA)
where:
Base-Base interactions energy: -36.371
where: short stacking energy: -36.371
Base-Backbone interact. energy: 0.264
local terms energy: -70.042102
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -19.603
flat angles C4'-P-C4' energy: -18.988
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -7.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -395.562082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.562082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.562082 (E_RNA)
where:
Base-Base interactions energy: -279.459
where: short stacking energy: -113.084
Base-Backbone interact. energy: -0.645
local terms energy: -115.457738
where:
bonds (distance) C4'-P energy: -23.607
bonds (distance) P-C4' energy: -17.018
flat angles C4'-P-C4' energy: -23.926
flat angles P-C4'-P energy: -15.157
tors. eta vs tors. theta energy: -35.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -380.988403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.988403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.988403 (E_RNA)
where:
Base-Base interactions energy: -264.886
where: short stacking energy: -110.372
Base-Backbone interact. energy: -0.256
local terms energy: -115.846621
where:
bonds (distance) C4'-P energy: -20.520
bonds (distance) P-C4' energy: -24.345
flat angles C4'-P-C4' energy: -22.328
flat angles P-C4'-P energy: -15.709
tors. eta vs tors. theta energy: -32.944
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: 3, replica: 10
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -367.229250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.229250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.229250 (E_RNA)
where:
Base-Base interactions energy: -244.136
where: short stacking energy: -103.685
Base-Backbone interact. energy: -0.723
local terms energy: -122.370093
where:
bonds (distance) C4'-P energy: -23.539
bonds (distance) P-C4' energy: -22.126
flat angles C4'-P-C4' energy: -25.133
flat angles P-C4'-P energy: -17.912
tors. eta vs tors. theta energy: -33.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -325.475558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.475558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.475558 (E_RNA)
where:
Base-Base interactions energy: -222.969
where: short stacking energy: -94.760
Base-Backbone interact. energy: -0.617
local terms energy: -101.889017
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -19.534
flat angles C4'-P-C4' energy: -23.090
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -33.077
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: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -299.411830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.411830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.411830 (E_RNA)
where:
Base-Base interactions energy: -196.056
where: short stacking energy: -87.430
Base-Backbone interact. energy: -0.597
local terms energy: -102.758543
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -22.796
flat angles P-C4'-P energy: -18.267
tors. eta vs tors. theta energy: -25.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -287.091650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.091650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.091650 (E_RNA)
where:
Base-Base interactions energy: -188.094
where: short stacking energy: -73.681
Base-Backbone interact. energy: -0.668
local terms energy: -98.330010
where:
bonds (distance) C4'-P energy: -21.148
bonds (distance) P-C4' energy: -24.486
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -15.212
tors. eta vs tors. theta energy: -17.221
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: 7, replica: 8
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -201.197866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.197866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.197866 (E_RNA)
where:
Base-Base interactions energy: -121.242
where: short stacking energy: -65.569
Base-Backbone interact. energy: -1.198
local terms energy: -78.758136
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -10.802
flat angles C4'-P-C4' energy: -20.488
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -18.040
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: 6
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -126.688814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.688814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.688814 (E_RNA)
where:
Base-Base interactions energy: -58.567
where: short stacking energy: -42.092
Base-Backbone interact. energy: -0.130
local terms energy: -67.991655
where:
bonds (distance) C4'-P energy: -20.325
bonds (distance) P-C4' energy: -21.477
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -4.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -101.979099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.979099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.979099 (E_RNA)
where:
Base-Base interactions energy: -41.655
where: short stacking energy: -30.245
Base-Backbone interact. energy: 0.741
local terms energy: -61.064357
where:
bonds (distance) C4'-P energy: -20.727
bonds (distance) P-C4' energy: -19.146
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -4.358
tors. eta vs tors. theta energy: -0.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -102.415875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.415875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.415875 (E_RNA)
where:
Base-Base interactions energy: -39.931
where: short stacking energy: -37.009
Base-Backbone interact. energy: -0.094
local terms energy: -62.391474
where:
bonds (distance) C4'-P energy: -18.349
bonds (distance) P-C4' energy: -14.165
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -387.571606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.571606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.571606 (E_RNA)
where:
Base-Base interactions energy: -270.843
where: short stacking energy: -111.486
Base-Backbone interact. energy: -0.009
local terms energy: -116.720219
where:
bonds (distance) C4'-P energy: -23.591
bonds (distance) P-C4' energy: -23.340
flat angles C4'-P-C4' energy: -20.986
flat angles P-C4'-P energy: -15.305
tors. eta vs tors. theta energy: -33.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -389.944687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.944687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.944687 (E_RNA)
where:
Base-Base interactions energy: -269.712
where: short stacking energy: -110.784
Base-Backbone interact. energy: -0.107
local terms energy: -120.125910
where:
bonds (distance) C4'-P energy: -21.480
bonds (distance) P-C4' energy: -22.191
flat angles C4'-P-C4' energy: -26.239
flat angles P-C4'-P energy: -14.584
tors. eta vs tors. theta energy: -35.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -364.825450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.825450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.825450 (E_RNA)
where:
Base-Base interactions energy: -253.262
where: short stacking energy: -111.264
Base-Backbone interact. energy: -0.002
local terms energy: -111.561681
where:
bonds (distance) C4'-P energy: -23.416
bonds (distance) P-C4' energy: -19.933
flat angles C4'-P-C4' energy: -22.265
flat angles P-C4'-P energy: -13.882
tors. eta vs tors. theta energy: -32.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -329.907759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.907759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.907759 (E_RNA)
where:
Base-Base interactions energy: -220.223
where: short stacking energy: -89.899
Base-Backbone interact. energy: -0.909
local terms energy: -108.776455
where:
bonds (distance) C4'-P energy: -21.543
bonds (distance) P-C4' energy: -19.178
flat angles C4'-P-C4' energy: -21.666
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -32.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -295.491240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.491240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.491240 (E_RNA)
where:
Base-Base interactions energy: -190.222
where: short stacking energy: -88.614
Base-Backbone interact. energy: -0.031
local terms energy: -105.237909
where:
bonds (distance) C4'-P energy: -17.501
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -22.444
flat angles P-C4'-P energy: -17.878
tors. eta vs tors. theta energy: -25.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -266.066825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.066825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.066825 (E_RNA)
where:
Base-Base interactions energy: -177.306
where: short stacking energy: -73.264
Base-Backbone interact. energy: -0.175
local terms energy: -88.585585
where:
bonds (distance) C4'-P energy: -21.177
bonds (distance) P-C4' energy: -18.405
flat angles C4'-P-C4' energy: -19.682
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -18.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -200.768626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.768626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.768626 (E_RNA)
where:
Base-Base interactions energy: -132.327
where: short stacking energy: -48.411
Base-Backbone interact. energy: 1.181
local terms energy: -69.623005
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -19.808
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -9.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -138.443543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.443543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.443543 (E_RNA)
where:
Base-Base interactions energy: -63.585
where: short stacking energy: -58.520
Base-Backbone interact. energy: -0.169
local terms energy: -74.689769
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -15.851
flat angles C4'-P-C4' energy: -24.649
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -7.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -101.267755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.267755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.267755 (E_RNA)
where:
Base-Base interactions energy: -41.622
where: short stacking energy: -30.263
Base-Backbone interact. energy: 1.465
local terms energy: -61.111540
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -20.998
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: 4.937
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: 10, replica: 1
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -103.965448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.965448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.965448 (E_RNA)
where:
Base-Base interactions energy: -46.328
where: short stacking energy: -28.136
Base-Backbone interact. energy: -1.200
local terms energy: -56.438002
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: 4.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -389.865933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.865933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.865933 (E_RNA)
where:
Base-Base interactions energy: -271.830
where: short stacking energy: -112.491
Base-Backbone interact. energy: -0.000
local terms energy: -118.035910
where:
bonds (distance) C4'-P energy: -20.693
bonds (distance) P-C4' energy: -23.063
flat angles C4'-P-C4' energy: -23.188
flat angles P-C4'-P energy: -17.471
tors. eta vs tors. theta energy: -33.621
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: 2, replica: 5
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -394.808377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.808377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.808377 (E_RNA)
where:
Base-Base interactions energy: -276.120
where: short stacking energy: -117.874
Base-Backbone interact. energy: -0.008
local terms energy: -118.679819
where:
bonds (distance) C4'-P energy: -22.266
bonds (distance) P-C4' energy: -23.755
flat angles C4'-P-C4' energy: -21.984
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -36.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -365.659607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.659607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.659607 (E_RNA)
where:
Base-Base interactions energy: -251.065
where: short stacking energy: -115.683
Base-Backbone interact. energy: -0.061
local terms energy: -114.533098
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -21.058
flat angles C4'-P-C4' energy: -24.081
flat angles P-C4'-P energy: -19.344
tors. eta vs tors. theta energy: -33.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -341.416082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.416082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.416082 (E_RNA)
where:
Base-Base interactions energy: -224.884
where: short stacking energy: -97.750
Base-Backbone interact. energy: -0.003
local terms energy: -116.529623
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -26.865
flat angles C4'-P-C4' energy: -25.246
flat angles P-C4'-P energy: -17.343
tors. eta vs tors. theta energy: -31.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -295.400392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.400392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.400392 (E_RNA)
where:
Base-Base interactions energy: -197.007
where: short stacking energy: -88.049
Base-Backbone interact. energy: -0.233
local terms energy: -98.160178
where:
bonds (distance) C4'-P energy: -18.962
bonds (distance) P-C4' energy: -19.702
flat angles C4'-P-C4' energy: -22.362
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: -22.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -297.126478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.126478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.126478 (E_RNA)
where:
Base-Base interactions energy: -202.089
where: short stacking energy: -84.458
Base-Backbone interact. energy: -0.439
local terms energy: -94.598246
where:
bonds (distance) C4'-P energy: -18.778
bonds (distance) P-C4' energy: -19.032
flat angles C4'-P-C4' energy: -19.630
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -25.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -213.558085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.558085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.558085 (E_RNA)
where:
Base-Base interactions energy: -123.542
where: short stacking energy: -55.445
Base-Backbone interact. energy: -0.074
local terms energy: -89.942396
where:
bonds (distance) C4'-P energy: -17.431
bonds (distance) P-C4' energy: -21.815
flat angles C4'-P-C4' energy: -21.007
flat angles P-C4'-P energy: -17.898
tors. eta vs tors. theta energy: -11.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -119.476652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.476652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.476652 (E_RNA)
where:
Base-Base interactions energy: -46.758
where: short stacking energy: -44.398
Base-Backbone interact. energy: -0.131
local terms energy: -72.588015
where:
bonds (distance) C4'-P energy: -20.481
bonds (distance) P-C4' energy: -10.847
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -11.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -102.397774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.397774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.397774 (E_RNA)
where:
Base-Base interactions energy: -34.165
where: short stacking energy: -22.735
Base-Backbone interact. energy: -0.209
local terms energy: -68.023666
where:
bonds (distance) C4'-P energy: -21.169
bonds (distance) P-C4' energy: -23.288
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: 1.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -102.416739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.416739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.416739 (E_RNA)
where:
Base-Base interactions energy: -37.743
where: short stacking energy: -35.749
Base-Backbone interact. energy: -0.357
local terms energy: -64.316793
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -1.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -398.618273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.618273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.618273 (E_RNA)
where:
Base-Base interactions energy: -277.968
where: short stacking energy: -112.041
Base-Backbone interact. energy: -0.187
local terms energy: -120.463504
where:
bonds (distance) C4'-P energy: -19.832
bonds (distance) P-C4' energy: -25.303
flat angles C4'-P-C4' energy: -23.697
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -36.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -385.973749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.973749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.973749 (E_RNA)
where:
Base-Base interactions energy: -276.024
where: short stacking energy: -114.923
Base-Backbone interact. energy: -0.095
local terms energy: -109.854638
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -24.128
flat angles C4'-P-C4' energy: -22.514
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -34.582
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: 10
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -364.997411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.997411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.997411 (E_RNA)
where:
Base-Base interactions energy: -247.780
where: short stacking energy: -104.253
Base-Backbone interact. energy: -0.011
local terms energy: -117.206560
where:
bonds (distance) C4'-P energy: -19.451
bonds (distance) P-C4' energy: -22.651
flat angles C4'-P-C4' energy: -24.598
flat angles P-C4'-P energy: -18.163
tors. eta vs tors. theta energy: -32.343
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: 4
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -331.160069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.160069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.160069 (E_RNA)
where:
Base-Base interactions energy: -230.106
where: short stacking energy: -97.163
Base-Backbone interact. energy: -0.717
local terms energy: -100.337426
where:
bonds (distance) C4'-P energy: -20.851
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -27.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -297.166818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.166818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.166818 (E_RNA)
where:
Base-Base interactions energy: -197.714
where: short stacking energy: -78.904
Base-Backbone interact. energy: -0.188
local terms energy: -99.265058
where:
bonds (distance) C4'-P energy: -19.907
bonds (distance) P-C4' energy: -19.818
flat angles C4'-P-C4' energy: -20.870
flat angles P-C4'-P energy: -17.709
tors. eta vs tors. theta energy: -20.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -292.853820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.853820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.853820 (E_RNA)
where:
Base-Base interactions energy: -201.942
where: short stacking energy: -81.838
Base-Backbone interact. energy: -0.535
local terms energy: -90.376794
where:
bonds (distance) C4'-P energy: -17.567
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -23.074
flat angles P-C4'-P energy: -17.117
tors. eta vs tors. theta energy: -18.318
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: 8
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -204.564187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.564187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.564187 (E_RNA)
where:
Base-Base interactions energy: -132.388
where: short stacking energy: -54.527
Base-Backbone interact. energy: 1.406
local terms energy: -73.582406
where:
bonds (distance) C4'-P energy: -17.567
bonds (distance) P-C4' energy: -23.896
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -3.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -133.135471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.135471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.135471 (E_RNA)
where:
Base-Base interactions energy: -56.706
where: short stacking energy: -46.273
Base-Backbone interact. energy: -0.228
local terms energy: -76.200727
where:
bonds (distance) C4'-P energy: -19.654
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -24.251
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -6.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -101.554844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.554844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.554844 (E_RNA)
where:
Base-Base interactions energy: -49.223
where: short stacking energy: -35.223
Base-Backbone interact. energy: 4.838
local terms energy: -57.170274
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -21.424
flat angles C4'-P-C4' energy: -10.603
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -1.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -114.927379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.927379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.927379 (E_RNA)
where:
Base-Base interactions energy: -43.319
where: short stacking energy: -34.822
Base-Backbone interact. energy: -0.054
local terms energy: -71.554508
where:
bonds (distance) C4'-P energy: -23.585
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -8.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -393.782244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.782244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.782244 (E_RNA)
where:
Base-Base interactions energy: -268.330
where: short stacking energy: -107.722
Base-Backbone interact. energy: -0.028
local terms energy: -125.424471
where:
bonds (distance) C4'-P energy: -26.051
bonds (distance) P-C4' energy: -22.275
flat angles C4'-P-C4' energy: -21.862
flat angles P-C4'-P energy: -19.698
tors. eta vs tors. theta energy: -35.538
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: 212
Temperature: 0.950000
Total energy: -382.589565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.589565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.589565 (E_RNA)
where:
Base-Base interactions energy: -265.168
where: short stacking energy: -102.299
Base-Backbone interact. energy: -0.458
local terms energy: -116.963061
where:
bonds (distance) C4'-P energy: -20.999
bonds (distance) P-C4' energy: -22.716
flat angles C4'-P-C4' energy: -24.144
flat angles P-C4'-P energy: -16.396
tors. eta vs tors. theta energy: -32.707
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: 4
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -347.299293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.299293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.299293 (E_RNA)
where:
Base-Base interactions energy: -232.998
where: short stacking energy: -101.088
Base-Backbone interact. energy: -0.436
local terms energy: -113.865705
where:
bonds (distance) C4'-P energy: -20.466
bonds (distance) P-C4' energy: -22.780
flat angles C4'-P-C4' energy: -24.313
flat angles P-C4'-P energy: -15.270
tors. eta vs tors. theta energy: -31.037
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: 4, replica: 10
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -363.354460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.354460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.354460 (E_RNA)
where:
Base-Base interactions energy: -255.127
where: short stacking energy: -117.611
Base-Backbone interact. energy: -0.001
local terms energy: -108.226345
where:
bonds (distance) C4'-P energy: -20.370
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -24.728
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -33.450
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: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -302.847823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.847823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.847823 (E_RNA)
where:
Base-Base interactions energy: -212.776
where: short stacking energy: -94.414
Base-Backbone interact. energy: 0.137
local terms energy: -90.208245
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -11.899
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: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -298.148215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.148215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.148215 (E_RNA)
where:
Base-Base interactions energy: -205.946
where: short stacking energy: -81.548
Base-Backbone interact. energy: -0.308
local terms energy: -91.894170
where:
bonds (distance) C4'-P energy: -17.066
bonds (distance) P-C4' energy: -20.948
flat angles C4'-P-C4' energy: -20.246
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -23.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -213.705549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.705549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.705549 (E_RNA)
where:
Base-Base interactions energy: -126.452
where: short stacking energy: -70.950
Base-Backbone interact. energy: -0.812
local terms energy: -86.441188
where:
bonds (distance) C4'-P energy: -20.436
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -19.643
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -14.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -138.478015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.478015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.478015 (E_RNA)
where:
Base-Base interactions energy: -65.868
where: short stacking energy: -55.018
Base-Backbone interact. energy: -0.571
local terms energy: -72.038991
where:
bonds (distance) C4'-P energy: -19.120
bonds (distance) P-C4' energy: -18.856
flat angles C4'-P-C4' energy: -18.493
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -7.355
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: 7
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -106.173531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.173531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.173531 (E_RNA)
where:
Base-Base interactions energy: -49.707
where: short stacking energy: -27.726
Base-Backbone interact. energy: -0.489
local terms energy: -55.977182
where:
bonds (distance) C4'-P energy: -21.480
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: 4.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -119.478206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.478206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.478206 (E_RNA)
where:
Base-Base interactions energy: -59.994
where: short stacking energy: -37.413
Base-Backbone interact. energy: -0.302
local terms energy: -59.182480
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -19.690
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -7.134
tors. eta vs tors. theta energy: -4.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -390.605313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.605313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.605313 (E_RNA)
where:
Base-Base interactions energy: -272.284
where: short stacking energy: -109.603
Base-Backbone interact. energy: -0.592
local terms energy: -117.730189
where:
bonds (distance) C4'-P energy: -20.193
bonds (distance) P-C4' energy: -20.668
flat angles C4'-P-C4' energy: -25.467
flat angles P-C4'-P energy: -17.676
tors. eta vs tors. theta energy: -33.726
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: 4
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -340.525883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.525883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.525883 (E_RNA)
where:
Base-Base interactions energy: -229.622
where: short stacking energy: -88.178
Base-Backbone interact. energy: -0.002
local terms energy: -110.901596
where:
bonds (distance) C4'-P energy: -19.170
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -25.775
flat angles P-C4'-P energy: -19.125
tors. eta vs tors. theta energy: -30.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -385.769249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.769249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.769249 (E_RNA)
where:
Base-Base interactions energy: -263.578
where: short stacking energy: -107.589
Base-Backbone interact. energy: -0.028
local terms energy: -122.163100
where:
bonds (distance) C4'-P energy: -20.698
bonds (distance) P-C4' energy: -24.535
flat angles C4'-P-C4' energy: -24.831
flat angles P-C4'-P energy: -19.162
tors. eta vs tors. theta energy: -32.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -353.915303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.915303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.915303 (E_RNA)
where:
Base-Base interactions energy: -245.860
where: short stacking energy: -109.706
Base-Backbone interact. energy: -0.223
local terms energy: -107.831957
where:
bonds (distance) C4'-P energy: -18.113
bonds (distance) P-C4' energy: -19.940
flat angles C4'-P-C4' energy: -21.883
flat angles P-C4'-P energy: -16.526
tors. eta vs tors. theta energy: -31.370
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: 213
Temperature: 1.100000
Total energy: -293.897712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.897712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.897712 (E_RNA)
where:
Base-Base interactions energy: -200.949
where: short stacking energy: -88.990
Base-Backbone interact. energy: -0.096
local terms energy: -92.853190
where:
bonds (distance) C4'-P energy: -24.025
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -14.764
tors. eta vs tors. theta energy: -24.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -307.223217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.223217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.223217 (E_RNA)
where:
Base-Base interactions energy: -201.070
where: short stacking energy: -85.195
Base-Backbone interact. energy: -0.451
local terms energy: -105.702309
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -24.572
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -19.101
tors. eta vs tors. theta energy: -29.114
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: 8
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -188.222062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.222062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.222062 (E_RNA)
where:
Base-Base interactions energy: -115.921
where: short stacking energy: -50.606
Base-Backbone interact. energy: -0.702
local terms energy: -71.598908
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -19.231
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -10.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -123.501402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.501402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.501402 (E_RNA)
where:
Base-Base interactions energy: -42.489
where: short stacking energy: -41.666
Base-Backbone interact. energy: 0.014
local terms energy: -81.027256
where:
bonds (distance) C4'-P energy: -25.387
bonds (distance) P-C4' energy: -19.898
flat angles C4'-P-C4' energy: -19.917
flat angles P-C4'-P energy: -9.565
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: 9, replica: 6
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -96.366701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.366701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.366701 (E_RNA)
where:
Base-Base interactions energy: -38.585
where: short stacking energy: -32.286
Base-Backbone interact. energy: 0.337
local terms energy: -58.118588
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -18.712
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: 2.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -119.059571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.059571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.059571 (E_RNA)
where:
Base-Base interactions energy: -47.268
where: short stacking energy: -36.286
Base-Backbone interact. energy: -0.176
local terms energy: -71.615907
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -19.694
flat angles P-C4'-P energy: -7.286
tors. eta vs tors. theta energy: -7.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -392.527071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.527071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.527071 (E_RNA)
where:
Base-Base interactions energy: -275.905
where: short stacking energy: -112.770
Base-Backbone interact. energy: -0.001
local terms energy: -116.621388
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -21.369
flat angles C4'-P-C4' energy: -26.481
flat angles P-C4'-P energy: -17.143
tors. eta vs tors. theta energy: -33.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -352.695005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.695005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.695005 (E_RNA)
where:
Base-Base interactions energy: -234.671
where: short stacking energy: -103.554
Base-Backbone interact. energy: 0.730
local terms energy: -118.754239
where:
bonds (distance) C4'-P energy: -23.868
bonds (distance) P-C4' energy: -25.001
flat angles C4'-P-C4' energy: -21.662
flat angles P-C4'-P energy: -15.240
tors. eta vs tors. theta energy: -32.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -358.117459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.117459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.117459 (E_RNA)
where:
Base-Base interactions energy: -243.233
where: short stacking energy: -101.821
Base-Backbone interact. energy: -0.086
local terms energy: -114.798426
where:
bonds (distance) C4'-P energy: -23.544
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -22.855
flat angles P-C4'-P energy: -14.844
tors. eta vs tors. theta energy: -32.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -377.540947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.540947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.540947 (E_RNA)
where:
Base-Base interactions energy: -267.643
where: short stacking energy: -106.480
Base-Backbone interact. energy: -0.109
local terms energy: -109.788665
where:
bonds (distance) C4'-P energy: -21.488
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -21.035
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -36.462
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: 214
Temperature: 1.100000
Total energy: -311.992066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.992066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.992066 (E_RNA)
where:
Base-Base interactions energy: -216.952
where: short stacking energy: -86.021
Base-Backbone interact. energy: -0.692
local terms energy: -94.347099
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -24.258
flat angles P-C4'-P energy: -15.781
tors. eta vs tors. theta energy: -20.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -297.443308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.443308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.443308 (E_RNA)
where:
Base-Base interactions energy: -204.335
where: short stacking energy: -98.346
Base-Backbone interact. energy: -1.583
local terms energy: -91.525661
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -21.970
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -27.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -217.491035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.491035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.491035 (E_RNA)
where:
Base-Base interactions energy: -127.745
where: short stacking energy: -63.483
Base-Backbone interact. energy: -0.143
local terms energy: -89.603501
where:
bonds (distance) C4'-P energy: -21.943
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -22.436
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -17.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -119.049691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.049691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.049691 (E_RNA)
where:
Base-Base interactions energy: -56.681
where: short stacking energy: -43.662
Base-Backbone interact. energy: -0.186
local terms energy: -62.183217
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -16.662
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -2.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -108.489060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.489060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.489060 (E_RNA)
where:
Base-Base interactions energy: -44.841
where: short stacking energy: -41.729
Base-Backbone interact. energy: -0.177
local terms energy: -63.470832
where:
bonds (distance) C4'-P energy: -21.053
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -22.505
flat angles P-C4'-P energy: -0.562
tors. eta vs tors. theta energy: -3.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -98.501310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.501310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.501310 (E_RNA)
where:
Base-Base interactions energy: -34.278
where: short stacking energy: -33.630
Base-Backbone interact. energy: -0.189
local terms energy: -64.034096
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -21.659
flat angles C4'-P-C4' energy: -18.309
flat angles P-C4'-P energy: -13.296
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: 5
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -391.244961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.244961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.244961 (E_RNA)
where:
Base-Base interactions energy: -272.093
where: short stacking energy: -108.369
Base-Backbone interact. energy: -0.181
local terms energy: -118.971176
where:
bonds (distance) C4'-P energy: -21.715
bonds (distance) P-C4' energy: -22.573
flat angles C4'-P-C4' energy: -22.417
flat angles P-C4'-P energy: -16.179
tors. eta vs tors. theta energy: -36.087
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: 10
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -361.461539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.461539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.461539 (E_RNA)
where:
Base-Base interactions energy: -252.649
where: short stacking energy: -111.777
Base-Backbone interact. energy: -0.076
local terms energy: -108.736358
where:
bonds (distance) C4'-P energy: -20.639
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -23.043
flat angles P-C4'-P energy: -15.511
tors. eta vs tors. theta energy: -29.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -350.246104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.246104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.246104 (E_RNA)
where:
Base-Base interactions energy: -230.098
where: short stacking energy: -101.593
Base-Backbone interact. energy: -0.006
local terms energy: -120.142251
where:
bonds (distance) C4'-P energy: -23.902
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -19.231
flat angles P-C4'-P energy: -19.766
tors. eta vs tors. theta energy: -33.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -376.199232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.199232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.199232 (E_RNA)
where:
Base-Base interactions energy: -264.100
where: short stacking energy: -101.161
Base-Backbone interact. energy: -0.004
local terms energy: -112.095577
where:
bonds (distance) C4'-P energy: -18.546
bonds (distance) P-C4' energy: -24.779
flat angles C4'-P-C4' energy: -24.183
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -31.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -316.192254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.192254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.192254 (E_RNA)
where:
Base-Base interactions energy: -221.239
where: short stacking energy: -95.855
Base-Backbone interact. energy: -0.376
local terms energy: -94.577568
where:
bonds (distance) C4'-P energy: -19.579
bonds (distance) P-C4' energy: -18.120
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -14.413
tors. eta vs tors. theta energy: -24.557
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: 2
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -300.491150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.491150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.491150 (E_RNA)
where:
Base-Base interactions energy: -201.792
where: short stacking energy: -87.400
Base-Backbone interact. energy: 0.566
local terms energy: -99.265657
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -25.097
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -27.050
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: 215
Temperature: 1.200000
Total energy: -228.509535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.509535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.509535 (E_RNA)
where:
Base-Base interactions energy: -151.620
where: short stacking energy: -58.682
Base-Backbone interact. energy: 0.136
local terms energy: -77.025930
where:
bonds (distance) C4'-P energy: -19.898
bonds (distance) P-C4' energy: -10.522
flat angles C4'-P-C4' energy: -18.368
flat angles P-C4'-P energy: -18.720
tors. eta vs tors. theta energy: -9.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -115.243631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.243631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.243631 (E_RNA)
where:
Base-Base interactions energy: -55.083
where: short stacking energy: -32.428
Base-Backbone interact. energy: -0.417
local terms energy: -59.743244
where:
bonds (distance) C4'-P energy: -6.505
bonds (distance) P-C4' energy: -24.773
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: -5.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -108.075747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.075747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.075747 (E_RNA)
where:
Base-Base interactions energy: -40.163
where: short stacking energy: -29.631
Base-Backbone interact. energy: -0.558
local terms energy: -67.354320
where:
bonds (distance) C4'-P energy: -19.281
bonds (distance) P-C4' energy: -21.017
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: 0.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -112.464333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.464333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.464333 (E_RNA)
where:
Base-Base interactions energy: -41.950
where: short stacking energy: -37.282
Base-Backbone interact. energy: 0.145
local terms energy: -70.659366
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -23.326
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -4.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -393.843499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.843499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.843499 (E_RNA)
where:
Base-Base interactions energy: -278.710
where: short stacking energy: -114.764
Base-Backbone interact. energy: -0.546
local terms energy: -114.587722
where:
bonds (distance) C4'-P energy: -20.739
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -25.058
flat angles P-C4'-P energy: -17.438
tors. eta vs tors. theta energy: -36.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -375.625813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.625813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.625813 (E_RNA)
where:
Base-Base interactions energy: -256.344
where: short stacking energy: -117.670
Base-Backbone interact. energy: -0.452
local terms energy: -118.829729
where:
bonds (distance) C4'-P energy: -19.490
bonds (distance) P-C4' energy: -22.820
flat angles C4'-P-C4' energy: -25.432
flat angles P-C4'-P energy: -15.560
tors. eta vs tors. theta energy: -35.528
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: 3, replica: 9
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -389.276604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.276604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.276604 (E_RNA)
where:
Base-Base interactions energy: -272.910
where: short stacking energy: -113.510
Base-Backbone interact. energy: -0.005
local terms energy: -116.361891
where:
bonds (distance) C4'-P energy: -21.774
bonds (distance) P-C4' energy: -23.715
flat angles C4'-P-C4' energy: -22.191
flat angles P-C4'-P energy: -15.661
tors. eta vs tors. theta energy: -33.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -328.622766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.622766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.622766 (E_RNA)
where:
Base-Base interactions energy: -220.930
where: short stacking energy: -96.181
Base-Backbone interact. energy: 2.158
local terms energy: -109.851110
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -23.287
flat angles C4'-P-C4' energy: -22.918
flat angles P-C4'-P energy: -14.311
tors. eta vs tors. theta energy: -33.829
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: 216
Temperature: 1.100000
Total energy: -307.852578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.852578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.852578 (E_RNA)
where:
Base-Base interactions energy: -219.590
where: short stacking energy: -76.437
Base-Backbone interact. energy: -0.210
local terms energy: -88.053157
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -22.032
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -22.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -298.368443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.368443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.368443 (E_RNA)
where:
Base-Base interactions energy: -200.130
where: short stacking energy: -76.163
Base-Backbone interact. energy: -0.214
local terms energy: -98.024710
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -22.162
flat angles C4'-P-C4' energy: -22.627
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -24.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -226.288548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.288548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.288548 (E_RNA)
where:
Base-Base interactions energy: -144.522
where: short stacking energy: -65.962
Base-Backbone interact. energy: -0.721
local terms energy: -81.045590
where:
bonds (distance) C4'-P energy: -21.051
bonds (distance) P-C4' energy: -22.690
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -14.471
tors. eta vs tors. theta energy: -6.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -129.148910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.148910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.148910 (E_RNA)
where:
Base-Base interactions energy: -66.952
where: short stacking energy: -37.391
Base-Backbone interact. energy: -0.923
local terms energy: -61.274175
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -4.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -120.356140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.356140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.356140 (E_RNA)
where:
Base-Base interactions energy: -43.131
where: short stacking energy: -43.243
Base-Backbone interact. energy: -0.059
local terms energy: -77.166080
where:
bonds (distance) C4'-P energy: -21.039
bonds (distance) P-C4' energy: -20.444
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -6.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -116.937109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.937109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.937109 (E_RNA)
where:
Base-Base interactions energy: -40.088
where: short stacking energy: -30.081
Base-Backbone interact. energy: 0.402
local terms energy: -77.251016
where:
bonds (distance) C4'-P energy: -18.230
bonds (distance) P-C4' energy: -26.607
flat angles C4'-P-C4' energy: -18.889
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -1.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -393.030076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.030076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.030076 (E_RNA)
where:
Base-Base interactions energy: -280.217
where: short stacking energy: -117.279
Base-Backbone interact. energy: -0.138
local terms energy: -112.674751
where:
bonds (distance) C4'-P energy: -19.898
bonds (distance) P-C4' energy: -21.537
flat angles C4'-P-C4' energy: -25.097
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -36.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -387.883201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.883201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.883201 (E_RNA)
where:
Base-Base interactions energy: -273.786
where: short stacking energy: -111.963
Base-Backbone interact. energy: -0.193
local terms energy: -113.904934
where:
bonds (distance) C4'-P energy: -20.870
bonds (distance) P-C4' energy: -21.781
flat angles C4'-P-C4' energy: -22.898
flat angles P-C4'-P energy: -16.267
tors. eta vs tors. theta energy: -32.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -366.965769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.965769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.965769 (E_RNA)
where:
Base-Base interactions energy: -247.161
where: short stacking energy: -106.977
Base-Backbone interact. energy: -0.330
local terms energy: -119.474795
where:
bonds (distance) C4'-P energy: -26.439
bonds (distance) P-C4' energy: -22.385
flat angles C4'-P-C4' energy: -20.923
flat angles P-C4'-P energy: -14.953
tors. eta vs tors. theta energy: -34.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -325.980071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.980071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.980071 (E_RNA)
where:
Base-Base interactions energy: -227.423
where: short stacking energy: -96.992
Base-Backbone interact. energy: 0.590
local terms energy: -99.147241
where:
bonds (distance) C4'-P energy: -18.524
bonds (distance) P-C4' energy: -20.869
flat angles C4'-P-C4' energy: -22.263
flat angles P-C4'-P energy: -9.317
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: 5, replica: 4
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -311.655479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.655479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.655479 (E_RNA)
where:
Base-Base interactions energy: -216.922
where: short stacking energy: -86.305
Base-Backbone interact. energy: -0.248
local terms energy: -94.485667
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -20.528
flat angles C4'-P-C4' energy: -22.677
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -22.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -292.598183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.598183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.598183 (E_RNA)
where:
Base-Base interactions energy: -192.529
where: short stacking energy: -78.070
Base-Backbone interact. energy: -1.137
local terms energy: -98.932564
where:
bonds (distance) C4'-P energy: -22.775
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -21.063
flat angles P-C4'-P energy: -14.802
tors. eta vs tors. theta energy: -24.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -242.400426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.400426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.400426 (E_RNA)
where:
Base-Base interactions energy: -156.007
where: short stacking energy: -76.549
Base-Backbone interact. energy: -0.035
local terms energy: -86.359070
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -13.513
tors. eta vs tors. theta energy: -21.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -111.359539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.359539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.359539 (E_RNA)
where:
Base-Base interactions energy: -36.297
where: short stacking energy: -36.572
Base-Backbone interact. energy: -1.402
local terms energy: -73.661414
where:
bonds (distance) C4'-P energy: -21.344
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -14.622
tors. eta vs tors. theta energy: -1.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -98.976196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.976196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.976196 (E_RNA)
where:
Base-Base interactions energy: -31.566
where: short stacking energy: -30.010
Base-Backbone interact. energy: 0.666
local terms energy: -68.075570
where:
bonds (distance) C4'-P energy: -21.279
bonds (distance) P-C4' energy: -21.892
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -16.097
tors. eta vs tors. theta energy: 7.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -122.201767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.201767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.201767 (E_RNA)
where:
Base-Base interactions energy: -50.651
where: short stacking energy: -34.983
Base-Backbone interact. energy: -0.160
local terms energy: -71.391109
where:
bonds (distance) C4'-P energy: -19.249
bonds (distance) P-C4' energy: -21.817
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -0.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -398.498273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.498273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.498273 (E_RNA)
where:
Base-Base interactions energy: -285.074
where: short stacking energy: -117.211
Base-Backbone interact. energy: -0.003
local terms energy: -113.420648
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -23.258
flat angles P-C4'-P energy: -17.901
tors. eta vs tors. theta energy: -34.019
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: 5
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -393.534441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.534441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.534441 (E_RNA)
where:
Base-Base interactions energy: -280.275
where: short stacking energy: -116.942
Base-Backbone interact. energy: -0.029
local terms energy: -113.230525
where:
bonds (distance) C4'-P energy: -18.361
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -25.055
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -33.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -360.731636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.731636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.731636 (E_RNA)
where:
Base-Base interactions energy: -252.757
where: short stacking energy: -114.575
Base-Backbone interact. energy: -0.168
local terms energy: -107.806646
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -24.514
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -30.849
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: 3
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -317.892465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.892465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.892465 (E_RNA)
where:
Base-Base interactions energy: -212.554
where: short stacking energy: -97.164
Base-Backbone interact. energy: -0.006
local terms energy: -105.331977
where:
bonds (distance) C4'-P energy: -21.517
bonds (distance) P-C4' energy: -19.626
flat angles C4'-P-C4' energy: -22.504
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: -28.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -309.899839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.899839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.899839 (E_RNA)
where:
Base-Base interactions energy: -210.477
where: short stacking energy: -88.959
Base-Backbone interact. energy: -0.438
local terms energy: -98.984888
where:
bonds (distance) C4'-P energy: -20.687
bonds (distance) P-C4' energy: -22.189
flat angles C4'-P-C4' energy: -21.099
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -23.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -319.095475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.095475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.095475 (E_RNA)
where:
Base-Base interactions energy: -216.423
where: short stacking energy: -86.710
Base-Backbone interact. energy: -0.003
local terms energy: -102.670009
where:
bonds (distance) C4'-P energy: -20.463
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -22.173
flat angles P-C4'-P energy: -15.289
tors. eta vs tors. theta energy: -29.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -235.474452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.474452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.474452 (E_RNA)
where:
Base-Base interactions energy: -151.087
where: short stacking energy: -75.199
Base-Backbone interact. energy: -0.632
local terms energy: -83.755952
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -22.321
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -17.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -108.469377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.469377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.469377 (E_RNA)
where:
Base-Base interactions energy: -41.499
where: short stacking energy: -40.664
Base-Backbone interact. energy: 1.244
local terms energy: -68.214729
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -23.211
flat angles C4'-P-C4' energy: -19.996
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -2.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -101.345106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.345106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.345106 (E_RNA)
where:
Base-Base interactions energy: -36.882
where: short stacking energy: -33.272
Base-Backbone interact. energy: -0.108
local terms energy: -64.355004
where:
bonds (distance) C4'-P energy: -21.185
bonds (distance) P-C4' energy: -19.852
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: 1.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -108.445238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.445238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.445238 (E_RNA)
where:
Base-Base interactions energy: -39.042
where: short stacking energy: -18.952
Base-Backbone interact. energy: -0.275
local terms energy: -69.128656
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -19.578
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -6.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -388.427597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.427597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.427597 (E_RNA)
where:
Base-Base interactions energy: -274.363
where: short stacking energy: -111.688
Base-Backbone interact. energy: -0.003
local terms energy: -114.061608
where:
bonds (distance) C4'-P energy: -20.208
bonds (distance) P-C4' energy: -24.753
flat angles C4'-P-C4' energy: -22.752
flat angles P-C4'-P energy: -14.907
tors. eta vs tors. theta energy: -31.441
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: 5
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -392.828672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.828672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.828672 (E_RNA)
where:
Base-Base interactions energy: -272.202
where: short stacking energy: -114.378
Base-Backbone interact. energy: -0.529
local terms energy: -120.097717
where:
bonds (distance) C4'-P energy: -21.223
bonds (distance) P-C4' energy: -22.149
flat angles C4'-P-C4' energy: -24.581
flat angles P-C4'-P energy: -16.642
tors. eta vs tors. theta energy: -35.502
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: 10
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -374.270457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.270457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.270457 (E_RNA)
where:
Base-Base interactions energy: -248.853
where: short stacking energy: -118.788
Base-Backbone interact. energy: -0.001
local terms energy: -125.417207
where:
bonds (distance) C4'-P energy: -25.375
bonds (distance) P-C4' energy: -22.923
flat angles C4'-P-C4' energy: -26.446
flat angles P-C4'-P energy: -17.149
tors. eta vs tors. theta energy: -33.524
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: 4, replica: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -315.717242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.717242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.717242 (E_RNA)
where:
Base-Base interactions energy: -215.394
where: short stacking energy: -93.898
Base-Backbone interact. energy: -0.193
local terms energy: -100.130739
where:
bonds (distance) C4'-P energy: -20.536
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -22.335
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -26.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -325.487585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.487585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.487585 (E_RNA)
where:
Base-Base interactions energy: -225.792
where: short stacking energy: -93.528
Base-Backbone interact. energy: 0.148
local terms energy: -99.843306
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -18.227
flat angles P-C4'-P energy: -15.790
tors. eta vs tors. theta energy: -29.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -312.104437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.104437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.104437 (E_RNA)
where:
Base-Base interactions energy: -211.301
where: short stacking energy: -93.961
Base-Backbone interact. energy: -0.065
local terms energy: -100.737925
where:
bonds (distance) C4'-P energy: -18.682
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -21.629
flat angles P-C4'-P energy: -18.426
tors. eta vs tors. theta energy: -29.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -213.669449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.669449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.669449 (E_RNA)
where:
Base-Base interactions energy: -135.070
where: short stacking energy: -54.744
Base-Backbone interact. energy: -0.791
local terms energy: -77.809161
where:
bonds (distance) C4'-P energy: -24.245
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -3.766
tors. eta vs tors. theta energy: -11.608
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: 7
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -126.793166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.793166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.793166 (E_RNA)
where:
Base-Base interactions energy: -53.095
where: short stacking energy: -37.831
Base-Backbone interact. energy: -1.662
local terms energy: -72.036468
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -22.623
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -16.054
tors. eta vs tors. theta energy: -3.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -149.937127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.937127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.937127 (E_RNA)
where:
Base-Base interactions energy: -79.861
where: short stacking energy: -43.586
Base-Backbone interact. energy: -0.885
local terms energy: -69.191881
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -20.537
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -5.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -104.603889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.603889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.603889 (E_RNA)
where:
Base-Base interactions energy: -42.145
where: short stacking energy: -38.195
Base-Backbone interact. energy: 0.197
local terms energy: -62.656677
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -20.089
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -3.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -396.635405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.635405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.635405 (E_RNA)
where:
Base-Base interactions energy: -271.376
where: short stacking energy: -115.044
Base-Backbone interact. energy: -0.005
local terms energy: -125.254020
where:
bonds (distance) C4'-P energy: -23.931
bonds (distance) P-C4' energy: -26.356
flat angles C4'-P-C4' energy: -26.356
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -30.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -391.970111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.970111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.970111 (E_RNA)
where:
Base-Base interactions energy: -275.136
where: short stacking energy: -108.991
Base-Backbone interact. energy: -0.070
local terms energy: -116.764286
where:
bonds (distance) C4'-P energy: -21.622
bonds (distance) P-C4' energy: -20.875
flat angles C4'-P-C4' energy: -22.819
flat angles P-C4'-P energy: -16.595
tors. eta vs tors. theta energy: -34.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -364.897712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.897712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.897712 (E_RNA)
where:
Base-Base interactions energy: -251.452
where: short stacking energy: -116.787
Base-Backbone interact. energy: -0.005
local terms energy: -113.440847
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -20.344
flat angles C4'-P-C4' energy: -23.755
flat angles P-C4'-P energy: -17.881
tors. eta vs tors. theta energy: -36.579
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: 2
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -301.766159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.766159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.766159 (E_RNA)
where:
Base-Base interactions energy: -199.465
where: short stacking energy: -92.183
Base-Backbone interact. energy: -1.928
local terms energy: -100.373334
where:
bonds (distance) C4'-P energy: -19.667
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -23.699
flat angles P-C4'-P energy: -18.985
tors. eta vs tors. theta energy: -25.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -289.782086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.782086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.782086 (E_RNA)
where:
Base-Base interactions energy: -199.908
where: short stacking energy: -97.077
Base-Backbone interact. energy: -0.618
local terms energy: -89.256408
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -26.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -286.915437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.915437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.915437 (E_RNA)
where:
Base-Base interactions energy: -198.931
where: short stacking energy: -82.925
Base-Backbone interact. energy: -0.011
local terms energy: -87.973580
where:
bonds (distance) C4'-P energy: -21.581
bonds (distance) P-C4' energy: -20.236
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -25.273
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: 8
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -239.283838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.283838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.283838 (E_RNA)
where:
Base-Base interactions energy: -150.793
where: short stacking energy: -71.376
Base-Backbone interact. energy: -0.154
local terms energy: -88.337681
where:
bonds (distance) C4'-P energy: -23.740
bonds (distance) P-C4' energy: -14.718
flat angles C4'-P-C4' energy: -19.149
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -17.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -125.465830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.465830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.465830 (E_RNA)
where:
Base-Base interactions energy: -60.730
where: short stacking energy: -34.361
Base-Backbone interact. energy: -0.919
local terms energy: -63.816596
where:
bonds (distance) C4'-P energy: -20.263
bonds (distance) P-C4' energy: -19.841
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -6.727
tors. eta vs tors. theta energy: -5.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -118.814747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.814747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.814747 (E_RNA)
where:
Base-Base interactions energy: -48.767
where: short stacking energy: -42.978
Base-Backbone interact. energy: -0.551
local terms energy: -69.497297
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -14.555
tors. eta vs tors. theta energy: -9.355
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: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -98.432346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.432346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.432346 (E_RNA)
where:
Base-Base interactions energy: -40.390
where: short stacking energy: -32.828
Base-Backbone interact. energy: -0.970
local terms energy: -57.072578
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -20.244
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: -6.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -390.273112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.273112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.273112 (E_RNA)
where:
Base-Base interactions energy: -274.633
where: short stacking energy: -116.512
Base-Backbone interact. energy: -0.281
local terms energy: -115.358762
where:
bonds (distance) C4'-P energy: -22.410
bonds (distance) P-C4' energy: -23.120
flat angles C4'-P-C4' energy: -23.097
flat angles P-C4'-P energy: -15.832
tors. eta vs tors. theta energy: -30.899
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: 5
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -392.121313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.121313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.121313 (E_RNA)
where:
Base-Base interactions energy: -272.931
where: short stacking energy: -108.936
Base-Backbone interact. energy: -0.738
local terms energy: -118.452197
where:
bonds (distance) C4'-P energy: -22.883
bonds (distance) P-C4' energy: -22.189
flat angles C4'-P-C4' energy: -24.311
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -33.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -359.321908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.321908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.321908 (E_RNA)
where:
Base-Base interactions energy: -252.101
where: short stacking energy: -106.486
Base-Backbone interact. energy: 2.128
local terms energy: -109.349144
where:
bonds (distance) C4'-P energy: -20.668
bonds (distance) P-C4' energy: -23.905
flat angles C4'-P-C4' energy: -23.138
flat angles P-C4'-P energy: -15.380
tors. eta vs tors. theta energy: -26.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -293.318219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.318219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.318219 (E_RNA)
where:
Base-Base interactions energy: -196.759
where: short stacking energy: -81.793
Base-Backbone interact. energy: -0.815
local terms energy: -95.743617
where:
bonds (distance) C4'-P energy: -18.720
bonds (distance) P-C4' energy: -22.638
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -15.238
tors. eta vs tors. theta energy: -21.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -293.455694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.455694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.455694 (E_RNA)
where:
Base-Base interactions energy: -203.973
where: short stacking energy: -86.686
Base-Backbone interact. energy: 0.346
local terms energy: -89.828196
where:
bonds (distance) C4'-P energy: -17.566
bonds (distance) P-C4' energy: -20.895
flat angles C4'-P-C4' energy: -19.135
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -23.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -278.044137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.044137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.044137 (E_RNA)
where:
Base-Base interactions energy: -184.777
where: short stacking energy: -82.560
Base-Backbone interact. energy: -0.182
local terms energy: -93.084681
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -20.967
flat angles C4'-P-C4' energy: -19.514
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -24.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -217.082707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.082707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.082707 (E_RNA)
where:
Base-Base interactions energy: -123.715
where: short stacking energy: -57.470
Base-Backbone interact. energy: -0.228
local terms energy: -93.140253
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -21.957
flat angles P-C4'-P energy: -15.055
tors. eta vs tors. theta energy: -20.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -119.657889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.657889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.657889 (E_RNA)
where:
Base-Base interactions energy: -50.962
where: short stacking energy: -39.839
Base-Backbone interact. energy: -1.146
local terms energy: -67.549013
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -19.600
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -14.385
tors. eta vs tors. theta energy: -0.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -110.911773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.911773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.911773 (E_RNA)
where:
Base-Base interactions energy: -48.428
where: short stacking energy: -45.956
Base-Backbone interact. energy: 1.340
local terms energy: -63.823858
where:
bonds (distance) C4'-P energy: -21.252
bonds (distance) P-C4' energy: -21.960
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: 0.486
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: 10, replica: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -110.444181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.444181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.444181 (E_RNA)
where:
Base-Base interactions energy: -42.260
where: short stacking energy: -39.435
Base-Backbone interact. energy: 0.022
local terms energy: -68.206235
where:
bonds (distance) C4'-P energy: -18.603
bonds (distance) P-C4' energy: -17.369
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -7.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -393.738255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.738255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.738255 (E_RNA)
where:
Base-Base interactions energy: -277.574
where: short stacking energy: -113.435
Base-Backbone interact. energy: -0.292
local terms energy: -115.871914
where:
bonds (distance) C4'-P energy: -21.653
bonds (distance) P-C4' energy: -18.515
flat angles C4'-P-C4' energy: -24.311
flat angles P-C4'-P energy: -16.640
tors. eta vs tors. theta energy: -34.754
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: 5
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -389.205714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.205714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.205714 (E_RNA)
where:
Base-Base interactions energy: -271.654
where: short stacking energy: -108.834
Base-Backbone interact. energy: -0.251
local terms energy: -117.300585
where:
bonds (distance) C4'-P energy: -22.842
bonds (distance) P-C4' energy: -20.273
flat angles C4'-P-C4' energy: -22.098
flat angles P-C4'-P energy: -17.280
tors. eta vs tors. theta energy: -34.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -370.937895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.937895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.937895 (E_RNA)
where:
Base-Base interactions energy: -253.043
where: short stacking energy: -110.399
Base-Backbone interact. energy: -0.622
local terms energy: -117.273161
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -22.489
flat angles C4'-P-C4' energy: -25.590
flat angles P-C4'-P energy: -18.053
tors. eta vs tors. theta energy: -33.490
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: 4, replica: 2
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -294.116362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.116362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.116362 (E_RNA)
where:
Base-Base interactions energy: -188.135
where: short stacking energy: -86.360
Base-Backbone interact. energy: -0.179
local terms energy: -105.803026
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -23.501
flat angles C4'-P-C4' energy: -19.741
flat angles P-C4'-P energy: -14.787
tors. eta vs tors. theta energy: -32.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -290.930310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.930310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.930310 (E_RNA)
where:
Base-Base interactions energy: -188.264
where: short stacking energy: -80.032
Base-Backbone interact. energy: -1.429
local terms energy: -101.237293
where:
bonds (distance) C4'-P energy: -22.341
bonds (distance) P-C4' energy: -23.160
flat angles C4'-P-C4' energy: -18.868
flat angles P-C4'-P energy: -17.438
tors. eta vs tors. theta energy: -19.430
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: 6, replica: 4
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -288.303852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.303852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.303852 (E_RNA)
where:
Base-Base interactions energy: -189.794
where: short stacking energy: -81.737
Base-Backbone interact. energy: -0.258
local terms energy: -98.251819
where:
bonds (distance) C4'-P energy: -18.653
bonds (distance) P-C4' energy: -22.660
flat angles C4'-P-C4' energy: -21.303
flat angles P-C4'-P energy: -10.955
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: 7, replica: 8
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -216.190151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.190151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.190151 (E_RNA)
where:
Base-Base interactions energy: -126.811
where: short stacking energy: -59.800
Base-Backbone interact. energy: -0.088
local terms energy: -89.291809
where:
bonds (distance) C4'-P energy: -20.324
bonds (distance) P-C4' energy: -21.824
flat angles C4'-P-C4' energy: -18.812
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -19.111
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: 8, replica: 1
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -123.461349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.461349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.461349 (E_RNA)
where:
Base-Base interactions energy: -48.310
where: short stacking energy: -44.330
Base-Backbone interact. energy: -0.108
local terms energy: -75.042548
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -18.919
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -8.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -113.941419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.941419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.941419 (E_RNA)
where:
Base-Base interactions energy: -37.624
where: short stacking energy: -35.648
Base-Backbone interact. energy: -0.282
local terms energy: -76.035263
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -22.951
flat angles C4'-P-C4' energy: -21.291
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -6.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -115.994491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.994491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.994491 (E_RNA)
where:
Base-Base interactions energy: -41.287
where: short stacking energy: -41.287
Base-Backbone interact. energy: -0.296
local terms energy: -74.411454
where:
bonds (distance) C4'-P energy: -21.272
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -19.147
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -2.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -394.739698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.739698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.739698 (E_RNA)
where:
Base-Base interactions energy: -276.201
where: short stacking energy: -113.439
Base-Backbone interact. energy: -0.004
local terms energy: -118.534216
where:
bonds (distance) C4'-P energy: -23.271
bonds (distance) P-C4' energy: -21.986
flat angles C4'-P-C4' energy: -22.789
flat angles P-C4'-P energy: -17.512
tors. eta vs tors. theta energy: -32.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -391.337362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.337362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.337362 (E_RNA)
where:
Base-Base interactions energy: -274.461
where: short stacking energy: -109.962
Base-Backbone interact. energy: -0.002
local terms energy: -116.874116
where:
bonds (distance) C4'-P energy: -19.925
bonds (distance) P-C4' energy: -21.651
flat angles C4'-P-C4' energy: -24.821
flat angles P-C4'-P energy: -18.399
tors. eta vs tors. theta energy: -32.078
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: 10
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -365.562022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.562022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.562022 (E_RNA)
where:
Base-Base interactions energy: -253.375
where: short stacking energy: -112.943
Base-Backbone interact. energy: 2.313
local terms energy: -114.500308
where:
bonds (distance) C4'-P energy: -21.105
bonds (distance) P-C4' energy: -22.301
flat angles C4'-P-C4' energy: -21.035
flat angles P-C4'-P energy: -17.909
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: 4, replica: 2
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -310.352139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.352139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.352139 (E_RNA)
where:
Base-Base interactions energy: -202.465
where: short stacking energy: -91.282
Base-Backbone interact. energy: -1.124
local terms energy: -106.763087
where:
bonds (distance) C4'-P energy: -21.198
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -23.866
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -29.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -281.044680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.044680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.044680 (E_RNA)
where:
Base-Base interactions energy: -191.123
where: short stacking energy: -85.490
Base-Backbone interact. energy: -0.212
local terms energy: -89.710353
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -19.670
flat angles C4'-P-C4' energy: -18.003
flat angles P-C4'-P energy: -16.168
tors. eta vs tors. theta energy: -20.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -306.264291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.264291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.264291 (E_RNA)
where:
Base-Base interactions energy: -206.277
where: short stacking energy: -102.127
Base-Backbone interact. energy: -0.596
local terms energy: -99.391440
where:
bonds (distance) C4'-P energy: -19.000
bonds (distance) P-C4' energy: -23.001
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -8.883
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: 7, replica: 8
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -223.765919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.765919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.765919 (E_RNA)
where:
Base-Base interactions energy: -136.254
where: short stacking energy: -66.610
Base-Backbone interact. energy: -0.105
local terms energy: -87.407797
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -24.368
flat angles C4'-P-C4' energy: -19.099
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -16.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -114.306239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.306239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.306239 (E_RNA)
where:
Base-Base interactions energy: -36.704
where: short stacking energy: -34.481
Base-Backbone interact. energy: -0.407
local terms energy: -77.195572
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -22.860
flat angles C4'-P-C4' energy: -23.390
flat angles P-C4'-P energy: -9.881
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: 9, replica: 1
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -113.777703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.777703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.777703 (E_RNA)
where:
Base-Base interactions energy: -48.247
where: short stacking energy: -24.373
Base-Backbone interact. energy: -1.856
local terms energy: -63.674093
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -20.442
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -0.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -117.488996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.488996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.488996 (E_RNA)
where:
Base-Base interactions energy: -58.083
where: short stacking energy: -32.927
Base-Backbone interact. energy: 1.687
local terms energy: -61.093242
where:
bonds (distance) C4'-P energy: -18.656
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: 2.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -392.447766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.447766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.447766 (E_RNA)
where:
Base-Base interactions energy: -276.244
where: short stacking energy: -107.710
Base-Backbone interact. energy: 0.741
local terms energy: -116.945736
where:
bonds (distance) C4'-P energy: -22.005
bonds (distance) P-C4' energy: -23.327
flat angles C4'-P-C4' energy: -22.588
flat angles P-C4'-P energy: -16.321
tors. eta vs tors. theta energy: -32.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -379.684300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.684300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.684300 (E_RNA)
where:
Base-Base interactions energy: -271.495
where: short stacking energy: -106.770
Base-Backbone interact. energy: -0.011
local terms energy: -108.178275
where:
bonds (distance) C4'-P energy: -21.743
bonds (distance) P-C4' energy: -17.867
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -35.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -367.716819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.716819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.716819 (E_RNA)
where:
Base-Base interactions energy: -253.007
where: short stacking energy: -103.799
Base-Backbone interact. energy: -0.454
local terms energy: -114.255986
where:
bonds (distance) C4'-P energy: -20.213
bonds (distance) P-C4' energy: -23.290
flat angles C4'-P-C4' energy: -25.748
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -30.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -305.111970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.111970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.111970 (E_RNA)
where:
Base-Base interactions energy: -200.512
where: short stacking energy: -92.753
Base-Backbone interact. energy: -0.587
local terms energy: -104.013620
where:
bonds (distance) C4'-P energy: -22.270
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -25.124
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -23.630
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: 5, replica: 4
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -291.435786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.435786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.435786 (E_RNA)
where:
Base-Base interactions energy: -197.457
where: short stacking energy: -76.348
Base-Backbone interact. energy: -0.809
local terms energy: -93.169404
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -25.888
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -21.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -273.172024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.172024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.172024 (E_RNA)
where:
Base-Base interactions energy: -185.406
where: short stacking energy: -77.467
Base-Backbone interact. energy: -0.146
local terms energy: -87.619942
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -21.092
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -25.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -229.064330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.064330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.064330 (E_RNA)
where:
Base-Base interactions energy: -133.391
where: short stacking energy: -73.260
Base-Backbone interact. energy: -0.008
local terms energy: -95.665034
where:
bonds (distance) C4'-P energy: -18.852
bonds (distance) P-C4' energy: -21.698
flat angles C4'-P-C4' energy: -21.075
flat angles P-C4'-P energy: -13.882
tors. eta vs tors. theta energy: -20.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -120.556514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.556514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.556514 (E_RNA)
where:
Base-Base interactions energy: -38.396
where: short stacking energy: -28.540
Base-Backbone interact. energy: 0.629
local terms energy: -82.789861
where:
bonds (distance) C4'-P energy: -21.007
bonds (distance) P-C4' energy: -24.653
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -5.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -114.457409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.457409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.457409 (E_RNA)
where:
Base-Base interactions energy: -51.912
where: short stacking energy: -32.840
Base-Backbone interact. energy: 1.084
local terms energy: -63.629038
where:
bonds (distance) C4'-P energy: -17.682
bonds (distance) P-C4' energy: -21.111
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -15.724
tors. eta vs tors. theta energy: 1.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -117.430496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.430496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.430496 (E_RNA)
where:
Base-Base interactions energy: -55.131
where: short stacking energy: -34.253
Base-Backbone interact. energy: -0.177
local terms energy: -62.122780
where:
bonds (distance) C4'-P energy: -18.669
bonds (distance) P-C4' energy: -19.665
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: 2.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -389.125973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.125973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.125973 (E_RNA)
where:
Base-Base interactions energy: -277.969
where: short stacking energy: -108.684
Base-Backbone interact. energy: -0.180
local terms energy: -110.977053
where:
bonds (distance) C4'-P energy: -21.131
bonds (distance) P-C4' energy: -19.838
flat angles C4'-P-C4' energy: -21.763
flat angles P-C4'-P energy: -15.217
tors. eta vs tors. theta energy: -33.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -384.319610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.319610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.319610 (E_RNA)
where:
Base-Base interactions energy: -274.406
where: short stacking energy: -112.233
Base-Backbone interact. energy: -0.457
local terms energy: -109.456814
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -21.414
flat angles P-C4'-P energy: -13.779
tors. eta vs tors. theta energy: -36.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -369.003059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.003059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.003059 (E_RNA)
where:
Base-Base interactions energy: -253.883
where: short stacking energy: -98.652
Base-Backbone interact. energy: 0.579
local terms energy: -115.698484
where:
bonds (distance) C4'-P energy: -23.196
bonds (distance) P-C4' energy: -24.378
flat angles C4'-P-C4' energy: -23.700
flat angles P-C4'-P energy: -15.807
tors. eta vs tors. theta energy: -28.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -320.541146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.541146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.541146 (E_RNA)
where:
Base-Base interactions energy: -216.835
where: short stacking energy: -91.394
Base-Backbone interact. energy: -0.387
local terms energy: -103.318303
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -20.683
flat angles C4'-P-C4' energy: -20.822
flat angles P-C4'-P energy: -15.470
tors. eta vs tors. theta energy: -30.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -292.902930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.902930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.902930 (E_RNA)
where:
Base-Base interactions energy: -191.945
where: short stacking energy: -93.253
Base-Backbone interact. energy: 0.070
local terms energy: -101.027931
where:
bonds (distance) C4'-P energy: -22.982
bonds (distance) P-C4' energy: -21.412
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -14.103
tors. eta vs tors. theta energy: -28.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -258.725989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.725989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.725989 (E_RNA)
where:
Base-Base interactions energy: -154.578
where: short stacking energy: -69.595
Base-Backbone interact. energy: 0.479
local terms energy: -104.626826
where:
bonds (distance) C4'-P energy: -23.909
bonds (distance) P-C4' energy: -22.860
flat angles C4'-P-C4' energy: -23.295
flat angles P-C4'-P energy: -16.780
tors. eta vs tors. theta energy: -17.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -207.100424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.100424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.100424 (E_RNA)
where:
Base-Base interactions energy: -126.449
where: short stacking energy: -61.342
Base-Backbone interact. energy: 1.583
local terms energy: -82.233557
where:
bonds (distance) C4'-P energy: -20.157
bonds (distance) P-C4' energy: -24.444
flat angles C4'-P-C4' energy: -9.277
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -16.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -125.443810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.443810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.443810 (E_RNA)
where:
Base-Base interactions energy: -58.798
where: short stacking energy: -28.439
Base-Backbone interact. energy: -1.796
local terms energy: -64.850366
where:
bonds (distance) C4'-P energy: -19.484
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -0.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -108.512213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.512213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.512213 (E_RNA)
where:
Base-Base interactions energy: -44.480
where: short stacking energy: -41.245
Base-Backbone interact. energy: -0.098
local terms energy: -63.934556
where:
bonds (distance) C4'-P energy: -18.276
bonds (distance) P-C4' energy: -22.325
flat angles C4'-P-C4' energy: -18.484
flat angles P-C4'-P energy: -1.009
tors. eta vs tors. theta energy: -3.841
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: 1
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -108.271350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.271350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.271350 (E_RNA)
where:
Base-Base interactions energy: -40.611
where: short stacking energy: -39.608
Base-Backbone interact. energy: 0.516
local terms energy: -68.177041
where:
bonds (distance) C4'-P energy: -21.085
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -4.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -395.484706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.484706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.484706 (E_RNA)
where:
Base-Base interactions energy: -276.690
where: short stacking energy: -112.059
Base-Backbone interact. energy: -0.033
local terms energy: -118.762300
where:
bonds (distance) C4'-P energy: -21.472
bonds (distance) P-C4' energy: -22.927
flat angles C4'-P-C4' energy: -25.250
flat angles P-C4'-P energy: -13.659
tors. eta vs tors. theta energy: -35.455
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: 2, replica: 5
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -395.504068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.504068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.504068 (E_RNA)
where:
Base-Base interactions energy: -275.049
where: short stacking energy: -114.714
Base-Backbone interact. energy: -0.087
local terms energy: -120.368282
where:
bonds (distance) C4'-P energy: -19.951
bonds (distance) P-C4' energy: -23.045
flat angles C4'-P-C4' energy: -24.022
flat angles P-C4'-P energy: -16.625
tors. eta vs tors. theta energy: -36.725
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: 10
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -368.153646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.153646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.153646 (E_RNA)
where:
Base-Base interactions energy: -256.670
where: short stacking energy: -102.738
Base-Backbone interact. energy: -0.601
local terms energy: -110.882000
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -25.262
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: -30.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -314.872495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.872495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.872495 (E_RNA)
where:
Base-Base interactions energy: -215.822
where: short stacking energy: -95.551
Base-Backbone interact. energy: -0.002
local terms energy: -99.047850
where:
bonds (distance) C4'-P energy: -19.170
bonds (distance) P-C4' energy: -19.446
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -31.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -266.337386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.337386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.337386 (E_RNA)
where:
Base-Base interactions energy: -178.591
where: short stacking energy: -81.091
Base-Backbone interact. energy: -0.672
local terms energy: -87.073775
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -15.726
tors. eta vs tors. theta energy: -16.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -292.526161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.526161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.526161 (E_RNA)
where:
Base-Base interactions energy: -195.532
where: short stacking energy: -90.713
Base-Backbone interact. energy: 0.204
local terms energy: -97.197747
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -23.120
flat angles C4'-P-C4' energy: -24.629
flat angles P-C4'-P energy: -11.195
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: 7, replica: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -201.507085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.507085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.507085 (E_RNA)
where:
Base-Base interactions energy: -116.411
where: short stacking energy: -57.157
Base-Backbone interact. energy: 0.171
local terms energy: -85.267371
where:
bonds (distance) C4'-P energy: -23.948
bonds (distance) P-C4' energy: -19.046
flat angles C4'-P-C4' energy: -22.271
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -11.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -129.240132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.240132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.240132 (E_RNA)
where:
Base-Base interactions energy: -47.248
where: short stacking energy: -35.591
Base-Backbone interact. energy: 0.718
local terms energy: -82.709990
where:
bonds (distance) C4'-P energy: -22.431
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -8.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -121.268951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.268951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.268951 (E_RNA)
where:
Base-Base interactions energy: -46.709
where: short stacking energy: -43.456
Base-Backbone interact. energy: -0.653
local terms energy: -73.907245
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -19.999
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -4.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -118.686162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.686162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.686162 (E_RNA)
where:
Base-Base interactions energy: -55.761
where: short stacking energy: -35.647
Base-Backbone interact. energy: -0.289
local terms energy: -62.636114
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -20.325
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: 1.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -392.420031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.420031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.420031 (E_RNA)
where:
Base-Base interactions energy: -272.738
where: short stacking energy: -112.099
Base-Backbone interact. energy: -0.053
local terms energy: -119.628654
where:
bonds (distance) C4'-P energy: -23.104
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -25.690
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: -33.823
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: 5
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -391.223212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.223212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.223212 (E_RNA)
where:
Base-Base interactions energy: -274.524
where: short stacking energy: -111.775
Base-Backbone interact. energy: -0.016
local terms energy: -116.683306
where:
bonds (distance) C4'-P energy: -22.105
bonds (distance) P-C4' energy: -23.287
flat angles C4'-P-C4' energy: -22.854
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -35.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -365.312591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.312591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.312591 (E_RNA)
where:
Base-Base interactions energy: -258.887
where: short stacking energy: -105.813
Base-Backbone interact. energy: 0.344
local terms energy: -106.769426
where:
bonds (distance) C4'-P energy: -20.856
bonds (distance) P-C4' energy: -19.323
flat angles C4'-P-C4' energy: -19.378
flat angles P-C4'-P energy: -17.298
tors. eta vs tors. theta energy: -29.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -321.706709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.706709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.706709 (E_RNA)
where:
Base-Base interactions energy: -215.816
where: short stacking energy: -86.943
Base-Backbone interact. energy: -0.223
local terms energy: -105.667310
where:
bonds (distance) C4'-P energy: -21.379
bonds (distance) P-C4' energy: -23.986
flat angles C4'-P-C4' energy: -20.894
flat angles P-C4'-P energy: -16.627
tors. eta vs tors. theta energy: -22.781
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: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -294.518961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.518961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.518961 (E_RNA)
where:
Base-Base interactions energy: -199.131
where: short stacking energy: -81.475
Base-Backbone interact. energy: -1.058
local terms energy: -94.330270
where:
bonds (distance) C4'-P energy: -20.353
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -21.948
flat angles P-C4'-P energy: -14.138
tors. eta vs tors. theta energy: -18.494
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: 227
Temperature: 1.150000
Total energy: -280.286808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.286808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.286808 (E_RNA)
where:
Base-Base interactions energy: -190.057
where: short stacking energy: -79.444
Base-Backbone interact. energy: -0.539
local terms energy: -89.690519
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -23.052
flat angles C4'-P-C4' energy: -21.598
flat angles P-C4'-P energy: -14.189
tors. eta vs tors. theta energy: -17.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -228.224134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.224134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.224134 (E_RNA)
where:
Base-Base interactions energy: -138.684
where: short stacking energy: -63.445
Base-Backbone interact. energy: 2.487
local terms energy: -92.026533
where:
bonds (distance) C4'-P energy: -21.041
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -17.900
tors. eta vs tors. theta energy: -11.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -163.358998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.358998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.358998 (E_RNA)
where:
Base-Base interactions energy: -88.413
where: short stacking energy: -50.830
Base-Backbone interact. energy: -0.345
local terms energy: -74.600905
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -23.061
flat angles C4'-P-C4' energy: -9.693
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -15.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -116.431376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.431376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.431376 (E_RNA)
where:
Base-Base interactions energy: -59.693
where: short stacking energy: -39.344
Base-Backbone interact. energy: -0.455
local terms energy: -56.283293
where:
bonds (distance) C4'-P energy: -18.375
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -9.916
flat angles P-C4'-P energy: -12.981
tors. eta vs tors. theta energy: 1.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -93.591922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.591922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.591922 (E_RNA)
where:
Base-Base interactions energy: -30.081
where: short stacking energy: -26.288
Base-Backbone interact. energy: -0.466
local terms energy: -63.044490
where:
bonds (distance) C4'-P energy: -19.916
bonds (distance) P-C4' energy: -22.234
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: 1.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -392.695146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.695146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.695146 (E_RNA)
where:
Base-Base interactions energy: -275.420
where: short stacking energy: -113.085
Base-Backbone interact. energy: -0.035
local terms energy: -117.239837
where:
bonds (distance) C4'-P energy: -20.063
bonds (distance) P-C4' energy: -25.170
flat angles C4'-P-C4' energy: -19.381
flat angles P-C4'-P energy: -17.905
tors. eta vs tors. theta energy: -34.721
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: 9
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -387.047533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.047533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.047533 (E_RNA)
where:
Base-Base interactions energy: -268.865
where: short stacking energy: -108.210
Base-Backbone interact. energy: -0.137
local terms energy: -118.044981
where:
bonds (distance) C4'-P energy: -20.399
bonds (distance) P-C4' energy: -24.629
flat angles C4'-P-C4' energy: -21.644
flat angles P-C4'-P energy: -16.458
tors. eta vs tors. theta energy: -34.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -366.913234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.913234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.913234 (E_RNA)
where:
Base-Base interactions energy: -256.883
where: short stacking energy: -96.926
Base-Backbone interact. energy: -0.111
local terms energy: -109.919762
where:
bonds (distance) C4'-P energy: -21.682
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -25.800
flat angles P-C4'-P energy: -14.995
tors. eta vs tors. theta energy: -27.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -327.695645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.695645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.695645 (E_RNA)
where:
Base-Base interactions energy: -229.285
where: short stacking energy: -98.080
Base-Backbone interact. energy: -0.506
local terms energy: -97.904498
where:
bonds (distance) C4'-P energy: -23.394
bonds (distance) P-C4' energy: -21.029
flat angles C4'-P-C4' energy: -20.278
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -24.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -293.202607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.202607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.202607 (E_RNA)
where:
Base-Base interactions energy: -192.168
where: short stacking energy: -91.173
Base-Backbone interact. energy: -0.054
local terms energy: -100.980641
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -20.050
flat angles C4'-P-C4' energy: -21.782
flat angles P-C4'-P energy: -17.767
tors. eta vs tors. theta energy: -24.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -279.209368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.209368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.209368 (E_RNA)
where:
Base-Base interactions energy: -193.728
where: short stacking energy: -81.096
Base-Backbone interact. energy: -0.049
local terms energy: -85.432831
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -20.432
flat angles C4'-P-C4' energy: -19.969
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -21.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -253.682432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.682432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.682432 (E_RNA)
where:
Base-Base interactions energy: -169.083
where: short stacking energy: -91.602
Base-Backbone interact. energy: -0.199
local terms energy: -84.400723
where:
bonds (distance) C4'-P energy: -18.312
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -19.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -164.511723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.511723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.511723 (E_RNA)
where:
Base-Base interactions energy: -88.187
where: short stacking energy: -45.485
Base-Backbone interact. energy: -0.075
local terms energy: -76.250394
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -23.858
flat angles C4'-P-C4' energy: -18.308
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -6.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -108.968185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.968185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.968185 (E_RNA)
where:
Base-Base interactions energy: -41.042
where: short stacking energy: -37.559
Base-Backbone interact. energy: -0.278
local terms energy: -67.648931
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -19.749
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -2.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -116.500542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.500542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.500542 (E_RNA)
where:
Base-Base interactions energy: -50.901
where: short stacking energy: -35.858
Base-Backbone interact. energy: 2.551
local terms energy: -68.151029
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -16.257
flat angles C4'-P-C4' energy: -19.562
flat angles P-C4'-P energy: -15.949
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -390.518472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.518472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.518472 (E_RNA)
where:
Base-Base interactions energy: -275.059
where: short stacking energy: -110.815
Base-Backbone interact. energy: -1.760
local terms energy: -113.699275
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -24.163
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -35.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -385.730021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.730021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.730021 (E_RNA)
where:
Base-Base interactions energy: -271.046
where: short stacking energy: -110.945
Base-Backbone interact. energy: -0.003
local terms energy: -114.680962
where:
bonds (distance) C4'-P energy: -20.708
bonds (distance) P-C4' energy: -19.458
flat angles C4'-P-C4' energy: -24.383
flat angles P-C4'-P energy: -17.474
tors. eta vs tors. theta energy: -32.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -369.417632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.417632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.417632 (E_RNA)
where:
Base-Base interactions energy: -254.809
where: short stacking energy: -96.324
Base-Backbone interact. energy: 0.526
local terms energy: -115.134883
where:
bonds (distance) C4'-P energy: -22.994
bonds (distance) P-C4' energy: -24.073
flat angles C4'-P-C4' energy: -25.645
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -28.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -293.758569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.758569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.758569 (E_RNA)
where:
Base-Base interactions energy: -194.305
where: short stacking energy: -92.223
Base-Backbone interact. energy: 0.120
local terms energy: -99.573918
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -25.878
flat angles C4'-P-C4' energy: -22.678
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -23.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -306.569880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.569880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.569880 (E_RNA)
where:
Base-Base interactions energy: -215.255
where: short stacking energy: -74.104
Base-Backbone interact. energy: -1.105
local terms energy: -90.209140
where:
bonds (distance) C4'-P energy: -20.962
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -20.726
flat angles P-C4'-P energy: -15.059
tors. eta vs tors. theta energy: -17.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -273.316206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.316206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.316206 (E_RNA)
where:
Base-Base interactions energy: -182.811
where: short stacking energy: -86.162
Base-Backbone interact. energy: -0.397
local terms energy: -90.107881
where:
bonds (distance) C4'-P energy: -19.828
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -21.018
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -24.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -259.879789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.879789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.879789 (E_RNA)
where:
Base-Base interactions energy: -174.147
where: short stacking energy: -80.046
Base-Backbone interact. energy: -0.147
local terms energy: -85.585492
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -19.947
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -25.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -140.832029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.832029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.832029 (E_RNA)
where:
Base-Base interactions energy: -68.965
where: short stacking energy: -38.174
Base-Backbone interact. energy: -0.572
local terms energy: -71.294763
where:
bonds (distance) C4'-P energy: -19.800
bonds (distance) P-C4' energy: -21.534
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -4.161
tors. eta vs tors. theta energy: -8.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -105.441223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.441223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.441223 (E_RNA)
where:
Base-Base interactions energy: -49.157
where: short stacking energy: -48.591
Base-Backbone interact. energy: 0.109
local terms energy: -56.393707
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -1.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -129.675481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.675481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.675481 (E_RNA)
where:
Base-Base interactions energy: -67.083
where: short stacking energy: -41.688
Base-Backbone interact. energy: 0.250
local terms energy: -62.842017
where:
bonds (distance) C4'-P energy: -20.440
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: 0.957
tors. eta vs tors. theta energy: -3.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -395.581503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.581503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.581503 (E_RNA)
where:
Base-Base interactions energy: -285.265
where: short stacking energy: -118.894
Base-Backbone interact. energy: -0.168
local terms energy: -110.149228
where:
bonds (distance) C4'-P energy: -19.575
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -20.924
flat angles P-C4'-P energy: -15.865
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: 2, replica: 5
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -391.657054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.657054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.657054 (E_RNA)
where:
Base-Base interactions energy: -274.836
where: short stacking energy: -114.204
Base-Backbone interact. energy: -0.280
local terms energy: -116.541659
where:
bonds (distance) C4'-P energy: -22.506
bonds (distance) P-C4' energy: -21.915
flat angles C4'-P-C4' energy: -24.142
flat angles P-C4'-P energy: -14.242
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: 3, replica: 10
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -368.717136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.717136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.717136 (E_RNA)
where:
Base-Base interactions energy: -262.269
where: short stacking energy: -104.859
Base-Backbone interact. energy: -0.051
local terms energy: -106.397252
where:
bonds (distance) C4'-P energy: -21.497
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -22.303
flat angles P-C4'-P energy: -16.792
tors. eta vs tors. theta energy: -26.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -297.036278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.036278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.036278 (E_RNA)
where:
Base-Base interactions energy: -192.938
where: short stacking energy: -85.364
Base-Backbone interact. energy: -0.318
local terms energy: -103.780295
where:
bonds (distance) C4'-P energy: -23.236
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -22.690
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -26.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -326.444545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.444545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.444545 (E_RNA)
where:
Base-Base interactions energy: -222.426
where: short stacking energy: -92.667
Base-Backbone interact. energy: -0.313
local terms energy: -103.704963
where:
bonds (distance) C4'-P energy: -20.611
bonds (distance) P-C4' energy: -19.486
flat angles C4'-P-C4' energy: -20.050
flat angles P-C4'-P energy: -15.363
tors. eta vs tors. theta energy: -28.194
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: 8
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -255.366635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.366635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.366635 (E_RNA)
where:
Base-Base interactions energy: -167.370
where: short stacking energy: -88.404
Base-Backbone interact. energy: 0.234
local terms energy: -88.231432
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -26.984
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: 7, replica: 2
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -268.573802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.573802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.573802 (E_RNA)
where:
Base-Base interactions energy: -172.672
where: short stacking energy: -67.272
Base-Backbone interact. energy: -0.420
local terms energy: -95.481875
where:
bonds (distance) C4'-P energy: -18.688
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -22.858
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -24.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -117.761819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.761819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.761819 (E_RNA)
where:
Base-Base interactions energy: -45.950
where: short stacking energy: -45.752
Base-Backbone interact. energy: 0.143
local terms energy: -71.954881
where:
bonds (distance) C4'-P energy: -17.979
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -19.976
flat angles P-C4'-P energy: -3.782
tors. eta vs tors. theta energy: -8.782
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: 6
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -110.088145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.088145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.088145 (E_RNA)
where:
Base-Base interactions energy: -48.136
where: short stacking energy: -35.563
Base-Backbone interact. energy: -0.331
local terms energy: -61.621650
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -3.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -121.752338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.752338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.752338 (E_RNA)
where:
Base-Base interactions energy: -43.710
where: short stacking energy: -41.823
Base-Backbone interact. energy: -0.893
local terms energy: -77.148935
where:
bonds (distance) C4'-P energy: -18.863
bonds (distance) P-C4' energy: -22.106
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -9.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -396.969354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.969354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.969354 (E_RNA)
where:
Base-Base interactions energy: -278.446
where: short stacking energy: -114.442
Base-Backbone interact. energy: -0.576
local terms energy: -117.948099
where:
bonds (distance) C4'-P energy: -22.496
bonds (distance) P-C4' energy: -22.930
flat angles C4'-P-C4' energy: -22.436
flat angles P-C4'-P energy: -18.381
tors. eta vs tors. theta energy: -31.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -378.376165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.376165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.376165 (E_RNA)
where:
Base-Base interactions energy: -264.004
where: short stacking energy: -100.265
Base-Backbone interact. energy: -0.738
local terms energy: -113.633932
where:
bonds (distance) C4'-P energy: -20.886
bonds (distance) P-C4' energy: -22.106
flat angles C4'-P-C4' energy: -25.792
flat angles P-C4'-P energy: -16.468
tors. eta vs tors. theta energy: -28.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -387.769466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.769466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.769466 (E_RNA)
where:
Base-Base interactions energy: -271.649
where: short stacking energy: -113.936
Base-Backbone interact. energy: -0.011
local terms energy: -116.110231
where:
bonds (distance) C4'-P energy: -23.148
bonds (distance) P-C4' energy: -22.863
flat angles C4'-P-C4' energy: -20.115
flat angles P-C4'-P energy: -18.019
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: 4, replica: 4
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -314.867047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.867047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.867047 (E_RNA)
where:
Base-Base interactions energy: -214.591
where: short stacking energy: -99.835
Base-Backbone interact. energy: -1.054
local terms energy: -99.222369
where:
bonds (distance) C4'-P energy: -14.461
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -21.748
flat angles P-C4'-P energy: -15.544
tors. eta vs tors. theta energy: -31.033
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: 5, replica: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -303.318839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.318839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.318839 (E_RNA)
where:
Base-Base interactions energy: -209.765
where: short stacking energy: -91.513
Base-Backbone interact. energy: -0.004
local terms energy: -93.550692
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -21.797
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -27.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -248.127275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.127275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.127275 (E_RNA)
where:
Base-Base interactions energy: -155.985
where: short stacking energy: -80.326
Base-Backbone interact. energy: -0.189
local terms energy: -91.953439
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -21.718
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -13.698
tors. eta vs tors. theta energy: -22.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -266.714444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.714444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.714444 (E_RNA)
where:
Base-Base interactions energy: -176.559
where: short stacking energy: -72.626
Base-Backbone interact. energy: -0.475
local terms energy: -89.680689
where:
bonds (distance) C4'-P energy: -17.651
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -22.256
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -21.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -122.252532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.252532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.252532 (E_RNA)
where:
Base-Base interactions energy: -49.733
where: short stacking energy: -49.733
Base-Backbone interact. energy: -0.105
local terms energy: -72.414591
where:
bonds (distance) C4'-P energy: -19.752
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -5.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -113.051312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.051312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.051312 (E_RNA)
where:
Base-Base interactions energy: -43.454
where: short stacking energy: -39.392
Base-Backbone interact. energy: 0.116
local terms energy: -69.713355
where:
bonds (distance) C4'-P energy: -19.975
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -3.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -100.085486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.085486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.085486 (E_RNA)
where:
Base-Base interactions energy: -43.008
where: short stacking energy: -19.405
Base-Backbone interact. energy: -0.323
local terms energy: -56.753834
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -22.698
flat angles C4'-P-C4' energy: -11.320
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -1.220
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: 10
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -377.769203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.769203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.769203 (E_RNA)
where:
Base-Base interactions energy: -273.471
where: short stacking energy: -99.130
Base-Backbone interact. energy: 0.069
local terms energy: -104.367117
where:
bonds (distance) C4'-P energy: -22.270
bonds (distance) P-C4' energy: -21.393
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -18.468
tors. eta vs tors. theta energy: -26.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -394.653405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.653405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.653405 (E_RNA)
where:
Base-Base interactions energy: -280.677
where: short stacking energy: -114.205
Base-Backbone interact. energy: -0.001
local terms energy: -113.975224
where:
bonds (distance) C4'-P energy: -18.366
bonds (distance) P-C4' energy: -20.022
flat angles C4'-P-C4' energy: -25.751
flat angles P-C4'-P energy: -14.858
tors. eta vs tors. theta energy: -34.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -377.352081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.352081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.352081 (E_RNA)
where:
Base-Base interactions energy: -267.580
where: short stacking energy: -102.535
Base-Backbone interact. energy: -0.431
local terms energy: -109.341201
where:
bonds (distance) C4'-P energy: -22.489
bonds (distance) P-C4' energy: -25.069
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: -32.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -327.221275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.221275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.221275 (E_RNA)
where:
Base-Base interactions energy: -221.638
where: short stacking energy: -98.444
Base-Backbone interact. energy: -0.024
local terms energy: -105.558982
where:
bonds (distance) C4'-P energy: -21.044
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -23.047
flat angles P-C4'-P energy: -14.716
tors. eta vs tors. theta energy: -31.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -308.808946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.808946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.808946 (E_RNA)
where:
Base-Base interactions energy: -210.148
where: short stacking energy: -94.805
Base-Backbone interact. energy: -0.006
local terms energy: -98.654840
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -18.068
flat angles P-C4'-P energy: -14.783
tors. eta vs tors. theta energy: -28.544
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: 8
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -256.959207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.959207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.959207 (E_RNA)
where:
Base-Base interactions energy: -170.218
where: short stacking energy: -80.702
Base-Backbone interact. energy: -0.287
local terms energy: -86.454595
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -19.990
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -23.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -267.671304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.671304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.671304 (E_RNA)
where:
Base-Base interactions energy: -186.834
where: short stacking energy: -70.931
Base-Backbone interact. energy: -0.354
local terms energy: -80.483357
where:
bonds (distance) C4'-P energy: -18.317
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -20.404
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -13.827
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: 6
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -117.356567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.356567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.356567 (E_RNA)
where:
Base-Base interactions energy: -48.152
where: short stacking energy: -42.850
Base-Backbone interact. energy: -0.493
local terms energy: -68.711881
where:
bonds (distance) C4'-P energy: -20.914
bonds (distance) P-C4' energy: -20.316
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -2.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -103.242280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.242280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.242280 (E_RNA)
where:
Base-Base interactions energy: -34.810
where: short stacking energy: -33.887
Base-Backbone interact. energy: -0.557
local terms energy: -67.875463
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -21.419
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -14.801
tors. eta vs tors. theta energy: -2.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -102.099326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.099326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.099326 (E_RNA)
where:
Base-Base interactions energy: -30.987
where: short stacking energy: -28.590
Base-Backbone interact. energy: -0.622
local terms energy: -70.490955
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -22.091
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: 1.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -384.674179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.674179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.674179 (E_RNA)
where:
Base-Base interactions energy: -274.102
where: short stacking energy: -98.169
Base-Backbone interact. energy: -0.139
local terms energy: -110.433400
where:
bonds (distance) C4'-P energy: -24.133
bonds (distance) P-C4' energy: -21.986
flat angles C4'-P-C4' energy: -22.650
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -29.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -386.210845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.210845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.210845 (E_RNA)
where:
Base-Base interactions energy: -272.461
where: short stacking energy: -107.398
Base-Backbone interact. energy: -0.080
local terms energy: -113.669869
where:
bonds (distance) C4'-P energy: -21.741
bonds (distance) P-C4' energy: -22.725
flat angles C4'-P-C4' energy: -23.000
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -32.784
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: 3, replica: 9
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -379.669008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.669008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.669008 (E_RNA)
where:
Base-Base interactions energy: -262.430
where: short stacking energy: -101.755
Base-Backbone interact. energy: -0.004
local terms energy: -117.235005
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -25.867
flat angles C4'-P-C4' energy: -22.774
flat angles P-C4'-P energy: -17.218
tors. eta vs tors. theta energy: -33.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -331.640609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.640609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.640609 (E_RNA)
where:
Base-Base interactions energy: -219.341
where: short stacking energy: -96.313
Base-Backbone interact. energy: -0.365
local terms energy: -111.934986
where:
bonds (distance) C4'-P energy: -21.882
bonds (distance) P-C4' energy: -22.129
flat angles C4'-P-C4' energy: -24.641
flat angles P-C4'-P energy: -16.323
tors. eta vs tors. theta energy: -26.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -314.360112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.360112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.360112 (E_RNA)
where:
Base-Base interactions energy: -210.641
where: short stacking energy: -91.342
Base-Backbone interact. energy: -0.558
local terms energy: -103.161169
where:
bonds (distance) C4'-P energy: -23.653
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -21.342
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -30.618
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: 6, replica: 8
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -232.959268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.959268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.959268 (E_RNA)
where:
Base-Base interactions energy: -136.747
where: short stacking energy: -66.842
Base-Backbone interact. energy: -0.747
local terms energy: -95.465661
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -21.502
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -18.099
tors. eta vs tors. theta energy: -20.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -256.034841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.034841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.034841 (E_RNA)
where:
Base-Base interactions energy: -170.572
where: short stacking energy: -64.872
Base-Backbone interact. energy: -0.673
local terms energy: -84.789787
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -21.075
flat angles C4'-P-C4' energy: -22.185
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -12.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -107.403637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.403637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.403637 (E_RNA)
where:
Base-Base interactions energy: -38.855
where: short stacking energy: -33.360
Base-Backbone interact. energy: 0.837
local terms energy: -69.386161
where:
bonds (distance) C4'-P energy: -21.233
bonds (distance) P-C4' energy: -20.942
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -15.768
tors. eta vs tors. theta energy: 3.615
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: 9, replica: 6
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -110.956714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.956714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.956714 (E_RNA)
where:
Base-Base interactions energy: -38.016
where: short stacking energy: -38.016
Base-Backbone interact. energy: -0.302
local terms energy: -72.638757
where:
bonds (distance) C4'-P energy: -21.670
bonds (distance) P-C4' energy: -19.015
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -4.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -109.584955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.584955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.584955 (E_RNA)
where:
Base-Base interactions energy: -46.356
where: short stacking energy: -45.606
Base-Backbone interact. energy: -0.110
local terms energy: -63.118787
where:
bonds (distance) C4'-P energy: -18.921
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -5.706
tors. eta vs tors. theta energy: -6.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -395.379043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.379043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.379043 (E_RNA)
where:
Base-Base interactions energy: -276.587
where: short stacking energy: -111.080
Base-Backbone interact. energy: -0.400
local terms energy: -118.392848
where:
bonds (distance) C4'-P energy: -22.039
bonds (distance) P-C4' energy: -25.684
flat angles C4'-P-C4' energy: -22.939
flat angles P-C4'-P energy: -18.506
tors. eta vs tors. theta energy: -29.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -376.959150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.959150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.959150 (E_RNA)
where:
Base-Base interactions energy: -260.918
where: short stacking energy: -104.455
Base-Backbone interact. energy: -0.197
local terms energy: -115.844238
where:
bonds (distance) C4'-P energy: -19.637
bonds (distance) P-C4' energy: -22.974
flat angles C4'-P-C4' energy: -25.491
flat angles P-C4'-P energy: -17.358
tors. eta vs tors. theta energy: -30.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -383.376168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.376168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.376168 (E_RNA)
where:
Base-Base interactions energy: -269.223
where: short stacking energy: -106.036
Base-Backbone interact. energy: -0.362
local terms energy: -113.790850
where:
bonds (distance) C4'-P energy: -21.613
bonds (distance) P-C4' energy: -19.448
flat angles C4'-P-C4' energy: -25.234
flat angles P-C4'-P energy: -15.147
tors. eta vs tors. theta energy: -32.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -297.776353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.776353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.776353 (E_RNA)
where:
Base-Base interactions energy: -199.981
where: short stacking energy: -84.620
Base-Backbone interact. energy: -0.021
local terms energy: -97.774193
where:
bonds (distance) C4'-P energy: -19.111
bonds (distance) P-C4' energy: -22.142
flat angles C4'-P-C4' energy: -20.930
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -22.830
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: 3
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -306.050403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.050403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.050403 (E_RNA)
where:
Base-Base interactions energy: -192.825
where: short stacking energy: -99.093
Base-Backbone interact. energy: 0.402
local terms energy: -113.627678
where:
bonds (distance) C4'-P energy: -20.971
bonds (distance) P-C4' energy: -22.485
flat angles C4'-P-C4' energy: -21.474
flat angles P-C4'-P energy: -14.364
tors. eta vs tors. theta energy: -34.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -239.766558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.766558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.766558 (E_RNA)
where:
Base-Base interactions energy: -161.040
where: short stacking energy: -65.603
Base-Backbone interact. energy: -0.198
local terms energy: -78.528708
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -20.050
flat angles P-C4'-P energy: -13.621
tors. eta vs tors. theta energy: -13.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -181.469922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.469922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.469922 (E_RNA)
where:
Base-Base interactions energy: -104.389
where: short stacking energy: -50.968
Base-Backbone interact. energy: -0.855
local terms energy: -76.225384
where:
bonds (distance) C4'-P energy: -19.161
bonds (distance) P-C4' energy: -22.225
flat angles C4'-P-C4' energy: -19.331
flat angles P-C4'-P energy: -6.551
tors. eta vs tors. theta energy: -8.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -117.153439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.153439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.153439 (E_RNA)
where:
Base-Base interactions energy: -47.644
where: short stacking energy: -43.640
Base-Backbone interact. energy: -0.183
local terms energy: -69.325547
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -16.158
tors. eta vs tors. theta energy: -12.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -117.893607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.893607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.893607 (E_RNA)
where:
Base-Base interactions energy: -50.834
where: short stacking energy: -30.509
Base-Backbone interact. energy: 2.821
local terms energy: -69.881437
where:
bonds (distance) C4'-P energy: -18.827
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -19.954
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -2.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -96.929416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.929416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.929416 (E_RNA)
where:
Base-Base interactions energy: -36.938
where: short stacking energy: -31.885
Base-Backbone interact. energy: 0.831
local terms energy: -60.822053
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -19.475
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -2.790
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: 1, replica: 5
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -397.963686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.963686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.963686 (E_RNA)
where:
Base-Base interactions energy: -283.430
where: short stacking energy: -112.816
Base-Backbone interact. energy: -0.003
local terms energy: -114.530184
where:
bonds (distance) C4'-P energy: -20.891
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -24.126
flat angles P-C4'-P energy: -15.673
tors. eta vs tors. theta energy: -34.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -386.068429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.068429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.068429 (E_RNA)
where:
Base-Base interactions energy: -269.399
where: short stacking energy: -110.851
Base-Backbone interact. energy: -0.073
local terms energy: -116.596722
where:
bonds (distance) C4'-P energy: -18.834
bonds (distance) P-C4' energy: -22.566
flat angles C4'-P-C4' energy: -23.053
flat angles P-C4'-P energy: -15.344
tors. eta vs tors. theta energy: -36.799
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: 10
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -379.079518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.079518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.079518 (E_RNA)
where:
Base-Base interactions energy: -270.746
where: short stacking energy: -102.846
Base-Backbone interact. energy: 0.384
local terms energy: -108.717816
where:
bonds (distance) C4'-P energy: -19.386
bonds (distance) P-C4' energy: -19.920
flat angles C4'-P-C4' energy: -24.118
flat angles P-C4'-P energy: -17.379
tors. eta vs tors. theta energy: -27.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -315.481869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.481869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.481869 (E_RNA)
where:
Base-Base interactions energy: -201.157
where: short stacking energy: -92.803
Base-Backbone interact. energy: -0.237
local terms energy: -114.087284
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -24.424
flat angles C4'-P-C4' energy: -22.861
flat angles P-C4'-P energy: -18.885
tors. eta vs tors. theta energy: -31.298
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: 4
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -313.926307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.926307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.926307 (E_RNA)
where:
Base-Base interactions energy: -207.203
where: short stacking energy: -89.952
Base-Backbone interact. energy: -0.007
local terms energy: -106.716547
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -22.754
flat angles C4'-P-C4' energy: -22.054
flat angles P-C4'-P energy: -16.372
tors. eta vs tors. theta energy: -28.641
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: 235
Temperature: 1.150000
Total energy: -211.098134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.098134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.098134 (E_RNA)
where:
Base-Base interactions energy: -119.403
where: short stacking energy: -69.825
Base-Backbone interact. energy: -0.425
local terms energy: -91.269584
where:
bonds (distance) C4'-P energy: -20.842
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -24.794
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -22.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -221.156749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.156749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.156749 (E_RNA)
where:
Base-Base interactions energy: -131.824
where: short stacking energy: -69.823
Base-Backbone interact. energy: -0.036
local terms energy: -89.296836
where:
bonds (distance) C4'-P energy: -17.807
bonds (distance) P-C4' energy: -17.988
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -16.558
tors. eta vs tors. theta energy: -20.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -115.981957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.981957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.981957 (E_RNA)
where:
Base-Base interactions energy: -52.774
where: short stacking energy: -31.270
Base-Backbone interact. energy: -1.206
local terms energy: -62.002027
where:
bonds (distance) C4'-P energy: -18.502
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: 2.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -110.905754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.905754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.905754 (E_RNA)
where:
Base-Base interactions energy: -42.275
where: short stacking energy: -42.275
Base-Backbone interact. energy: 2.013
local terms energy: -70.643542
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -17.863
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -7.125
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: 7
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -112.021061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.021061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.021061 (E_RNA)
where:
Base-Base interactions energy: -49.400
where: short stacking energy: -38.320
Base-Backbone interact. energy: -0.230
local terms energy: -62.390907
where:
bonds (distance) C4'-P energy: -18.122
bonds (distance) P-C4' energy: -11.183
flat angles C4'-P-C4' energy: -22.462
flat angles P-C4'-P energy: -8.557
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: 5
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -389.526262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.526262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.526262 (E_RNA)
where:
Base-Base interactions energy: -278.882
where: short stacking energy: -112.730
Base-Backbone interact. energy: -0.007
local terms energy: -110.636719
where:
bonds (distance) C4'-P energy: -19.551
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -25.099
flat angles P-C4'-P energy: -16.784
tors. eta vs tors. theta energy: -33.679
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: 2, replica: 9
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -385.282601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.282601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.282601 (E_RNA)
where:
Base-Base interactions energy: -270.404
where: short stacking energy: -115.095
Base-Backbone interact. energy: 0.332
local terms energy: -115.210850
where:
bonds (distance) C4'-P energy: -19.641
bonds (distance) P-C4' energy: -22.811
flat angles C4'-P-C4' energy: -24.880
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -36.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -368.672401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.672401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.672401 (E_RNA)
where:
Base-Base interactions energy: -246.750
where: short stacking energy: -117.973
Base-Backbone interact. energy: -0.056
local terms energy: -121.866921
where:
bonds (distance) C4'-P energy: -23.922
bonds (distance) P-C4' energy: -25.929
flat angles C4'-P-C4' energy: -22.603
flat angles P-C4'-P energy: -14.754
tors. eta vs tors. theta energy: -34.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -325.220400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.220400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.220400 (E_RNA)
where:
Base-Base interactions energy: -208.692
where: short stacking energy: -99.092
Base-Backbone interact. energy: -0.667
local terms energy: -115.861929
where:
bonds (distance) C4'-P energy: -18.913
bonds (distance) P-C4' energy: -23.604
flat angles C4'-P-C4' energy: -22.521
flat angles P-C4'-P energy: -19.182
tors. eta vs tors. theta energy: -31.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -328.977356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.977356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.977356 (E_RNA)
where:
Base-Base interactions energy: -230.253
where: short stacking energy: -103.581
Base-Backbone interact. energy: -0.638
local terms energy: -98.086945
where:
bonds (distance) C4'-P energy: -21.824
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -18.579
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -33.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -260.418406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.418406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.418406 (E_RNA)
where:
Base-Base interactions energy: -155.607
where: short stacking energy: -80.232
Base-Backbone interact. energy: -1.741
local terms energy: -103.071214
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -19.561
flat angles P-C4'-P energy: -19.576
tors. eta vs tors. theta energy: -28.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -233.191904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.191904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.191904 (E_RNA)
where:
Base-Base interactions energy: -139.089
where: short stacking energy: -59.653
Base-Backbone interact. energy: -0.203
local terms energy: -93.900424
where:
bonds (distance) C4'-P energy: -22.601
bonds (distance) P-C4' energy: -21.993
flat angles C4'-P-C4' energy: -22.139
flat angles P-C4'-P energy: -14.211
tors. eta vs tors. theta energy: -12.957
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: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -117.863376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.863376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.863376 (E_RNA)
where:
Base-Base interactions energy: -38.067
where: short stacking energy: -38.067
Base-Backbone interact. energy: -0.111
local terms energy: -79.685877
where:
bonds (distance) C4'-P energy: -21.219
bonds (distance) P-C4' energy: -17.472
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -16.677
tors. eta vs tors. theta energy: -12.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -124.256383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.256383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.256383 (E_RNA)
where:
Base-Base interactions energy: -50.452
where: short stacking energy: -48.836
Base-Backbone interact. energy: -0.100
local terms energy: -73.704601
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -10.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -97.082376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.082376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.082376 (E_RNA)
where:
Base-Base interactions energy: -30.323
where: short stacking energy: -30.397
Base-Backbone interact. energy: -0.617
local terms energy: -66.142711
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -18.133
flat angles P-C4'-P energy: -13.804
tors. eta vs tors. theta energy: -1.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -391.526514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.526514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.526514 (E_RNA)
where:
Base-Base interactions energy: -277.025
where: short stacking energy: -116.010
Base-Backbone interact. energy: -0.000
local terms energy: -114.500946
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -22.779
flat angles C4'-P-C4' energy: -24.832
flat angles P-C4'-P energy: -15.826
tors. eta vs tors. theta energy: -33.521
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: 2, replica: 10
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -372.084994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.084994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.084994 (E_RNA)
where:
Base-Base interactions energy: -253.609
where: short stacking energy: -113.651
Base-Backbone interact. energy: -0.028
local terms energy: -118.448611
where:
bonds (distance) C4'-P energy: -24.667
bonds (distance) P-C4' energy: -21.603
flat angles C4'-P-C4' energy: -24.541
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -34.117
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: 9
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -373.233086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.233086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.233086 (E_RNA)
where:
Base-Base interactions energy: -257.910
where: short stacking energy: -104.812
Base-Backbone interact. energy: -0.126
local terms energy: -115.196833
where:
bonds (distance) C4'-P energy: -21.679
bonds (distance) P-C4' energy: -21.236
flat angles C4'-P-C4' energy: -24.770
flat angles P-C4'-P energy: -15.555
tors. eta vs tors. theta energy: -31.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -322.089423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.089423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.089423 (E_RNA)
where:
Base-Base interactions energy: -210.631
where: short stacking energy: -100.648
Base-Backbone interact. energy: -0.267
local terms energy: -111.191572
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -25.139
flat angles C4'-P-C4' energy: -23.249
flat angles P-C4'-P energy: -15.377
tors. eta vs tors. theta energy: -32.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -303.393770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.393770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.393770 (E_RNA)
where:
Base-Base interactions energy: -199.318
where: short stacking energy: -80.288
Base-Backbone interact. energy: -0.016
local terms energy: -104.059722
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -22.653
flat angles C4'-P-C4' energy: -19.894
flat angles P-C4'-P energy: -16.178
tors. eta vs tors. theta energy: -30.027
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: 8
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -225.022199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.022199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.022199 (E_RNA)
where:
Base-Base interactions energy: -134.187
where: short stacking energy: -66.490
Base-Backbone interact. energy: -1.811
local terms energy: -89.024322
where:
bonds (distance) C4'-P energy: -21.721
bonds (distance) P-C4' energy: -23.022
flat angles C4'-P-C4' energy: -21.216
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -10.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -239.469845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.469845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.469845 (E_RNA)
where:
Base-Base interactions energy: -151.773
where: short stacking energy: -70.269
Base-Backbone interact. energy: -0.557
local terms energy: -87.140138
where:
bonds (distance) C4'-P energy: -21.487
bonds (distance) P-C4' energy: -20.299
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -18.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -111.918735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.918735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.918735 (E_RNA)
where:
Base-Base interactions energy: -42.119
where: short stacking energy: -28.932
Base-Backbone interact. energy: 0.349
local terms energy: -70.148658
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -24.158
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -4.532
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: 6
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -109.313037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.313037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.313037 (E_RNA)
where:
Base-Base interactions energy: -40.448
where: short stacking energy: -25.977
Base-Backbone interact. energy: -0.213
local terms energy: -68.652333
where:
bonds (distance) C4'-P energy: -21.479
bonds (distance) P-C4' energy: -20.975
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: 1.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -99.365052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.365052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.365052 (E_RNA)
where:
Base-Base interactions energy: -31.939
where: short stacking energy: -31.939
Base-Backbone interact. energy: -0.070
local terms energy: -67.355662
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -19.541
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -3.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -380.365331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.365331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.365331 (E_RNA)
where:
Base-Base interactions energy: -259.634
where: short stacking energy: -110.466
Base-Backbone interact. energy: -0.001
local terms energy: -120.729588
where:
bonds (distance) C4'-P energy: -20.200
bonds (distance) P-C4' energy: -20.434
flat angles C4'-P-C4' energy: -25.560
flat angles P-C4'-P energy: -19.464
tors. eta vs tors. theta energy: -35.071
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: 5
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -386.064623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.064623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.064623 (E_RNA)
where:
Base-Base interactions energy: -271.189
where: short stacking energy: -111.222
Base-Backbone interact. energy: -0.002
local terms energy: -114.873539
where:
bonds (distance) C4'-P energy: -19.476
bonds (distance) P-C4' energy: -20.163
flat angles C4'-P-C4' energy: -24.937
flat angles P-C4'-P energy: -17.209
tors. eta vs tors. theta energy: -33.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -383.856534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.856534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.856534 (E_RNA)
where:
Base-Base interactions energy: -265.986
where: short stacking energy: -109.284
Base-Backbone interact. energy: -0.009
local terms energy: -117.861762
where:
bonds (distance) C4'-P energy: -23.322
bonds (distance) P-C4' energy: -21.299
flat angles C4'-P-C4' energy: -23.803
flat angles P-C4'-P energy: -13.391
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: 4, replica: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -329.902828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.902828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.902828 (E_RNA)
where:
Base-Base interactions energy: -223.511
where: short stacking energy: -98.896
Base-Backbone interact. energy: -0.025
local terms energy: -106.367035
where:
bonds (distance) C4'-P energy: -18.589
bonds (distance) P-C4' energy: -22.677
flat angles C4'-P-C4' energy: -19.638
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -32.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -301.861962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.861962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.861962 (E_RNA)
where:
Base-Base interactions energy: -198.915
where: short stacking energy: -90.584
Base-Backbone interact. energy: -0.042
local terms energy: -102.905202
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -21.928
flat angles C4'-P-C4' energy: -20.701
flat angles P-C4'-P energy: -15.421
tors. eta vs tors. theta energy: -26.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -223.772095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.772095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.772095 (E_RNA)
where:
Base-Base interactions energy: -131.169
where: short stacking energy: -69.882
Base-Backbone interact. energy: -0.370
local terms energy: -92.232821
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -21.795
flat angles P-C4'-P energy: -15.726
tors. eta vs tors. theta energy: -20.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -213.357502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.357502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.357502 (E_RNA)
where:
Base-Base interactions energy: -125.767
where: short stacking energy: -63.064
Base-Backbone interact. energy: -0.531
local terms energy: -87.060160
where:
bonds (distance) C4'-P energy: -19.756
bonds (distance) P-C4' energy: -21.114
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -14.881
tors. eta vs tors. theta energy: -13.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -118.274974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.274974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.274974 (E_RNA)
where:
Base-Base interactions energy: -51.861
where: short stacking energy: -24.102
Base-Backbone interact. energy: -0.259
local terms energy: -66.154998
where:
bonds (distance) C4'-P energy: -17.041
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -18.778
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: 2.772
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: 1
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -106.976431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.976431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.976431 (E_RNA)
where:
Base-Base interactions energy: -35.655
where: short stacking energy: -35.222
Base-Backbone interact. energy: -0.231
local terms energy: -71.090393
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -18.869
flat angles C4'-P-C4' energy: -18.944
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -5.006
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: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -125.122857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.122857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.122857 (E_RNA)
where:
Base-Base interactions energy: -64.638
where: short stacking energy: -16.706
Base-Backbone interact. energy: -1.144
local terms energy: -59.340434
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -20.958
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: 0.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -373.640321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.640321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.640321 (E_RNA)
where:
Base-Base interactions energy: -261.986
where: short stacking energy: -121.188
Base-Backbone interact. energy: 0.633
local terms energy: -112.287518
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -17.487
flat angles C4'-P-C4' energy: -26.921
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -35.374
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: 5
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -387.801134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.801134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.801134 (E_RNA)
where:
Base-Base interactions energy: -270.422
where: short stacking energy: -111.615
Base-Backbone interact. energy: -0.002
local terms energy: -117.377287
where:
bonds (distance) C4'-P energy: -22.208
bonds (distance) P-C4' energy: -19.934
flat angles C4'-P-C4' energy: -24.997
flat angles P-C4'-P energy: -15.404
tors. eta vs tors. theta energy: -34.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -392.145754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.145754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.145754 (E_RNA)
where:
Base-Base interactions energy: -270.359
where: short stacking energy: -112.385
Base-Backbone interact. energy: -0.301
local terms energy: -121.486350
where:
bonds (distance) C4'-P energy: -22.875
bonds (distance) P-C4' energy: -20.166
flat angles C4'-P-C4' energy: -24.250
flat angles P-C4'-P energy: -17.231
tors. eta vs tors. theta energy: -36.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -329.747364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.747364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.747364 (E_RNA)
where:
Base-Base interactions energy: -220.905
where: short stacking energy: -100.533
Base-Backbone interact. energy: -0.049
local terms energy: -108.792578
where:
bonds (distance) C4'-P energy: -23.901
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -19.282
flat angles P-C4'-P energy: -13.622
tors. eta vs tors. theta energy: -32.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -297.099874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.099874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.099874 (E_RNA)
where:
Base-Base interactions energy: -197.859
where: short stacking energy: -90.288
Base-Backbone interact. energy: -0.845
local terms energy: -98.395363
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -22.145
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -25.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -233.109161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.109161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.109161 (E_RNA)
where:
Base-Base interactions energy: -147.333
where: short stacking energy: -70.918
Base-Backbone interact. energy: -2.297
local terms energy: -83.478330
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -21.445
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -19.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -215.910586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.910586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.910586 (E_RNA)
where:
Base-Base interactions energy: -136.316
where: short stacking energy: -61.178
Base-Backbone interact. energy: 1.657
local terms energy: -81.251764
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -21.522
flat angles C4'-P-C4' energy: -18.753
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -13.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -129.702075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.702075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.702075 (E_RNA)
where:
Base-Base interactions energy: -64.465
where: short stacking energy: -50.412
Base-Backbone interact. energy: 2.993
local terms energy: -68.229115
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -22.573
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -5.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -102.576467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.576467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.576467 (E_RNA)
where:
Base-Base interactions energy: -40.256
where: short stacking energy: -38.826
Base-Backbone interact. energy: -0.812
local terms energy: -61.508228
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -19.956
flat angles C4'-P-C4' energy: -9.531
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: -2.768
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: 10, replica: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -105.955113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.955113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.955113 (E_RNA)
where:
Base-Base interactions energy: -38.920
where: short stacking energy: -37.338
Base-Backbone interact. energy: -0.396
local terms energy: -66.639162
where:
bonds (distance) C4'-P energy: -7.889
bonds (distance) P-C4' energy: -22.179
flat angles C4'-P-C4' energy: -18.348
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -2.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -390.091893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.091893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.091893 (E_RNA)
where:
Base-Base interactions energy: -266.958
where: short stacking energy: -109.731
Base-Backbone interact. energy: -0.053
local terms energy: -123.080416
where:
bonds (distance) C4'-P energy: -24.231
bonds (distance) P-C4' energy: -25.147
flat angles C4'-P-C4' energy: -21.753
flat angles P-C4'-P energy: -19.723
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: 2, replica: 10
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -368.869092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.869092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.869092 (E_RNA)
where:
Base-Base interactions energy: -250.801
where: short stacking energy: -119.943
Base-Backbone interact. energy: -0.001
local terms energy: -118.067138
where:
bonds (distance) C4'-P energy: -23.172
bonds (distance) P-C4' energy: -21.649
flat angles C4'-P-C4' energy: -22.920
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -37.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -387.031614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.031614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.031614 (E_RNA)
where:
Base-Base interactions energy: -273.462
where: short stacking energy: -109.990
Base-Backbone interact. energy: -0.567
local terms energy: -113.001741
where:
bonds (distance) C4'-P energy: -24.125
bonds (distance) P-C4' energy: -20.576
flat angles C4'-P-C4' energy: -23.869
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -33.471
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: 240
Temperature: 1.050000
Total energy: -321.908360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.908360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.908360 (E_RNA)
where:
Base-Base interactions energy: -214.963
where: short stacking energy: -86.282
Base-Backbone interact. energy: -1.106
local terms energy: -105.839039
where:
bonds (distance) C4'-P energy: -19.234
bonds (distance) P-C4' energy: -20.443
flat angles C4'-P-C4' energy: -21.297
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -30.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -317.444621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.444621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.444621 (E_RNA)
where:
Base-Base interactions energy: -210.413
where: short stacking energy: -98.130
Base-Backbone interact. energy: -1.320
local terms energy: -105.711532
where:
bonds (distance) C4'-P energy: -18.423
bonds (distance) P-C4' energy: -22.768
flat angles C4'-P-C4' energy: -23.912
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -31.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -246.787057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.787057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.787057 (E_RNA)
where:
Base-Base interactions energy: -153.817
where: short stacking energy: -75.567
Base-Backbone interact. energy: 0.803
local terms energy: -93.773542
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -21.156
flat angles C4'-P-C4' energy: -20.669
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -20.544
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: 2
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -225.700488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.700488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.700488 (E_RNA)
where:
Base-Base interactions energy: -133.476
where: short stacking energy: -63.253
Base-Backbone interact. energy: -0.537
local terms energy: -91.687210
where:
bonds (distance) C4'-P energy: -22.511
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -19.335
flat angles P-C4'-P energy: -16.978
tors. eta vs tors. theta energy: -18.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -116.014112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.014112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.014112 (E_RNA)
where:
Base-Base interactions energy: -38.742
where: short stacking energy: -38.742
Base-Backbone interact. energy: -0.548
local terms energy: -76.723506
where:
bonds (distance) C4'-P energy: -17.555
bonds (distance) P-C4' energy: -18.247
flat angles C4'-P-C4' energy: -24.125
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -7.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -115.028908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.028908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.028908 (E_RNA)
where:
Base-Base interactions energy: -50.239
where: short stacking energy: -49.407
Base-Backbone interact. energy: 0.187
local terms energy: -64.976861
where:
bonds (distance) C4'-P energy: -21.247
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -5.608
tors. eta vs tors. theta energy: -4.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -99.531156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.531156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.531156 (E_RNA)
where:
Base-Base interactions energy: -30.828
where: short stacking energy: -26.860
Base-Backbone interact. energy: -0.414
local terms energy: -68.288889
where:
bonds (distance) C4'-P energy: -23.371
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -18.128
flat angles P-C4'-P energy: -15.187
tors. eta vs tors. theta energy: 3.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -394.622630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.622630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.622630 (E_RNA)
where:
Base-Base interactions energy: -278.540
where: short stacking energy: -111.122
Base-Backbone interact. energy: -0.113
local terms energy: -115.969186
where:
bonds (distance) C4'-P energy: -24.402
bonds (distance) P-C4' energy: -22.037
flat angles C4'-P-C4' energy: -21.869
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -35.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -389.928519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.928519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.928519 (E_RNA)
where:
Base-Base interactions energy: -269.280
where: short stacking energy: -109.445
Base-Backbone interact. energy: -0.003
local terms energy: -120.645463
where:
bonds (distance) C4'-P energy: -24.477
bonds (distance) P-C4' energy: -25.001
flat angles C4'-P-C4' energy: -23.540
flat angles P-C4'-P energy: -16.651
tors. eta vs tors. theta energy: -30.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -369.013620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.013620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.013620 (E_RNA)
where:
Base-Base interactions energy: -251.248
where: short stacking energy: -108.091
Base-Backbone interact. energy: -0.634
local terms energy: -117.131749
where:
bonds (distance) C4'-P energy: -22.096
bonds (distance) P-C4' energy: -18.897
flat angles C4'-P-C4' energy: -23.242
flat angles P-C4'-P energy: -21.479
tors. eta vs tors. theta energy: -31.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -324.947594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.947594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.947594 (E_RNA)
where:
Base-Base interactions energy: -211.243
where: short stacking energy: -101.876
Base-Backbone interact. energy: -0.111
local terms energy: -113.593418
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -23.061
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -14.848
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: 5, replica: 3
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -293.759422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.759422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.759422 (E_RNA)
where:
Base-Base interactions energy: -186.089
where: short stacking energy: -89.022
Base-Backbone interact. energy: -0.010
local terms energy: -107.660476
where:
bonds (distance) C4'-P energy: -20.387
bonds (distance) P-C4' energy: -20.576
flat angles C4'-P-C4' energy: -23.633
flat angles P-C4'-P energy: -16.996
tors. eta vs tors. theta energy: -26.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -231.094599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.094599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.094599 (E_RNA)
where:
Base-Base interactions energy: -138.681
where: short stacking energy: -72.711
Base-Backbone interact. energy: -1.478
local terms energy: -90.935595
where:
bonds (distance) C4'-P energy: -17.863
bonds (distance) P-C4' energy: -22.454
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -17.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -234.773711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.773711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.773711 (E_RNA)
where:
Base-Base interactions energy: -139.414
where: short stacking energy: -72.647
Base-Backbone interact. energy: -0.194
local terms energy: -95.165336
where:
bonds (distance) C4'-P energy: -20.859
bonds (distance) P-C4' energy: -20.369
flat angles C4'-P-C4' energy: -21.169
flat angles P-C4'-P energy: -16.159
tors. eta vs tors. theta energy: -16.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -126.642128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.642128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.642128 (E_RNA)
where:
Base-Base interactions energy: -57.379
where: short stacking energy: -44.580
Base-Backbone interact. energy: -0.235
local terms energy: -69.027788
where:
bonds (distance) C4'-P energy: -19.153
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -8.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -104.339473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.339473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.339473 (E_RNA)
where:
Base-Base interactions energy: -42.369
where: short stacking energy: -29.896
Base-Backbone interact. energy: -0.304
local terms energy: -61.667335
where:
bonds (distance) C4'-P energy: -9.404
bonds (distance) P-C4' energy: -22.669
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -1.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -105.622692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.622692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.622692 (E_RNA)
where:
Base-Base interactions energy: -36.235
where: short stacking energy: -36.335
Base-Backbone interact. energy: -0.431
local terms energy: -68.956256
where:
bonds (distance) C4'-P energy: -18.996
bonds (distance) P-C4' energy: -18.011
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -2.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -393.964950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.964950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.964950 (E_RNA)
where:
Base-Base interactions energy: -278.816
where: short stacking energy: -113.960
Base-Backbone interact. energy: -0.001
local terms energy: -115.147607
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -22.339
flat angles C4'-P-C4' energy: -26.160
flat angles P-C4'-P energy: -15.426
tors. eta vs tors. theta energy: -32.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -391.194227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.194227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.194227 (E_RNA)
where:
Base-Base interactions energy: -268.854
where: short stacking energy: -105.040
Base-Backbone interact. energy: -0.099
local terms energy: -122.241428
where:
bonds (distance) C4'-P energy: -22.413
bonds (distance) P-C4' energy: -24.390
flat angles C4'-P-C4' energy: -23.502
flat angles P-C4'-P energy: -16.782
tors. eta vs tors. theta energy: -35.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -370.296197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.296197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.296197 (E_RNA)
where:
Base-Base interactions energy: -257.248
where: short stacking energy: -106.461
Base-Backbone interact. energy: -0.226
local terms energy: -112.821790
where:
bonds (distance) C4'-P energy: -20.833
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -21.484
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -34.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -315.492252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.492252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.492252 (E_RNA)
where:
Base-Base interactions energy: -224.235
where: short stacking energy: -104.007
Base-Backbone interact. energy: 1.553
local terms energy: -92.810846
where:
bonds (distance) C4'-P energy: -11.703
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -21.729
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -33.592
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: 3
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -278.068847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.068847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.068847 (E_RNA)
where:
Base-Base interactions energy: -177.481
where: short stacking energy: -89.226
Base-Backbone interact. energy: -0.381
local terms energy: -100.207695
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -20.975
flat angles C4'-P-C4' energy: -21.013
flat angles P-C4'-P energy: -13.591
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: 6, replica: 2
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -250.535935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.535935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.535935 (E_RNA)
where:
Base-Base interactions energy: -158.836
where: short stacking energy: -81.887
Base-Backbone interact. energy: -1.433
local terms energy: -90.266289
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -22.466
flat angles C4'-P-C4' energy: -21.952
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -23.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -235.331263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.331263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.331263 (E_RNA)
where:
Base-Base interactions energy: -149.444
where: short stacking energy: -67.938
Base-Backbone interact. energy: -0.255
local terms energy: -85.631859
where:
bonds (distance) C4'-P energy: -19.369
bonds (distance) P-C4' energy: -17.715
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -13.785
tors. eta vs tors. theta energy: -16.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -148.896362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.896362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.896362 (E_RNA)
where:
Base-Base interactions energy: -72.702
where: short stacking energy: -41.979
Base-Backbone interact. energy: -0.217
local terms energy: -75.977205
where:
bonds (distance) C4'-P energy: -21.373
bonds (distance) P-C4' energy: -22.753
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -3.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -114.448112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.448112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.448112 (E_RNA)
where:
Base-Base interactions energy: -51.181
where: short stacking energy: -29.281
Base-Backbone interact. energy: -0.759
local terms energy: -62.508124
where:
bonds (distance) C4'-P energy: -20.989
bonds (distance) P-C4' energy: -20.765
flat angles C4'-P-C4' energy: -10.568
flat angles P-C4'-P energy: -2.336
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: 10, replica: 1
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -125.782616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.782616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.782616 (E_RNA)
where:
Base-Base interactions energy: -64.585
where: short stacking energy: -39.819
Base-Backbone interact. energy: -1.265
local terms energy: -59.932619
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -18.372
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -3.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -406.909949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.909949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.909949 (E_RNA)
where:
Base-Base interactions energy: -281.498
where: short stacking energy: -117.621
Base-Backbone interact. energy: -0.297
local terms energy: -125.115052
where:
bonds (distance) C4'-P energy: -22.833
bonds (distance) P-C4' energy: -23.514
flat angles C4'-P-C4' energy: -22.176
flat angles P-C4'-P energy: -19.554
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: 2, replica: 10
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -374.590970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.590970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.590970 (E_RNA)
where:
Base-Base interactions energy: -252.268
where: short stacking energy: -114.225
Base-Backbone interact. energy: -1.151
local terms energy: -121.172205
where:
bonds (distance) C4'-P energy: -19.708
bonds (distance) P-C4' energy: -22.253
flat angles C4'-P-C4' energy: -25.067
flat angles P-C4'-P energy: -17.280
tors. eta vs tors. theta energy: -36.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -381.085638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.085638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.085638 (E_RNA)
where:
Base-Base interactions energy: -267.741
where: short stacking energy: -105.735
Base-Backbone interact. energy: 0.135
local terms energy: -113.479898
where:
bonds (distance) C4'-P energy: -19.526
bonds (distance) P-C4' energy: -22.228
flat angles C4'-P-C4' energy: -25.729
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -32.276
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: 4
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -330.179637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.179637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.179637 (E_RNA)
where:
Base-Base interactions energy: -224.815
where: short stacking energy: -98.299
Base-Backbone interact. energy: -1.470
local terms energy: -103.894796
where:
bonds (distance) C4'-P energy: -19.913
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -22.036
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -32.030
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: 5, replica: 3
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -307.727135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.727135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.727135 (E_RNA)
where:
Base-Base interactions energy: -200.494
where: short stacking energy: -82.256
Base-Backbone interact. energy: 2.391
local terms energy: -109.624496
where:
bonds (distance) C4'-P energy: -22.005
bonds (distance) P-C4' energy: -24.066
flat angles C4'-P-C4' energy: -20.815
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -29.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -251.260675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.260675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.260675 (E_RNA)
where:
Base-Base interactions energy: -170.643
where: short stacking energy: -80.874
Base-Backbone interact. energy: -0.036
local terms energy: -80.582334
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -16.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -233.061307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.061307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.061307 (E_RNA)
where:
Base-Base interactions energy: -144.789
where: short stacking energy: -71.072
Base-Backbone interact. energy: -0.194
local terms energy: -88.078741
where:
bonds (distance) C4'-P energy: -20.520
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -21.951
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: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -146.201005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.201005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.201005 (E_RNA)
where:
Base-Base interactions energy: -75.825
where: short stacking energy: -43.322
Base-Backbone interact. energy: -0.493
local terms energy: -69.882824
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -18.194
flat angles C4'-P-C4' energy: -19.028
flat angles P-C4'-P energy: -14.274
tors. eta vs tors. theta energy: -2.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -110.974830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.974830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.974830 (E_RNA)
where:
Base-Base interactions energy: -63.656
where: short stacking energy: -42.685
Base-Backbone interact. energy: -0.112
local terms energy: -47.207674
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -5.956
tors. eta vs tors. theta energy: -4.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -138.190982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.190982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.190982 (E_RNA)
where:
Base-Base interactions energy: -63.433
where: short stacking energy: -27.968
Base-Backbone interact. energy: -0.311
local terms energy: -74.447190
where:
bonds (distance) C4'-P energy: -21.102
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -20.310
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -0.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -392.618559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.618559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.618559 (E_RNA)
where:
Base-Base interactions energy: -274.857
where: short stacking energy: -113.199
Base-Backbone interact. energy: 0.386
local terms energy: -118.147827
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -23.230
flat angles C4'-P-C4' energy: -25.318
flat angles P-C4'-P energy: -16.125
tors. eta vs tors. theta energy: -34.655
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: 2, replica: 10
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -376.210590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.210590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.210590 (E_RNA)
where:
Base-Base interactions energy: -262.644
where: short stacking energy: -109.776
Base-Backbone interact. energy: 0.690
local terms energy: -114.256450
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -22.995
flat angles C4'-P-C4' energy: -24.211
flat angles P-C4'-P energy: -15.415
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: 3, replica: 9
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -387.258449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.258449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.258449 (E_RNA)
where:
Base-Base interactions energy: -265.936
where: short stacking energy: -105.747
Base-Backbone interact. energy: -0.044
local terms energy: -121.278348
where:
bonds (distance) C4'-P energy: -22.104
bonds (distance) P-C4' energy: -22.290
flat angles C4'-P-C4' energy: -23.830
flat angles P-C4'-P energy: -19.059
tors. eta vs tors. theta energy: -33.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -321.130473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.130473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.130473 (E_RNA)
where:
Base-Base interactions energy: -215.146
where: short stacking energy: -93.522
Base-Backbone interact. energy: -0.240
local terms energy: -105.744695
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -18.772
flat angles C4'-P-C4' energy: -21.309
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -31.920
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: 5, replica: 3
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -322.069798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.069798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.069798 (E_RNA)
where:
Base-Base interactions energy: -214.636
where: short stacking energy: -98.501
Base-Backbone interact. energy: -0.020
local terms energy: -107.414017
where:
bonds (distance) C4'-P energy: -18.921
bonds (distance) P-C4' energy: -23.029
flat angles C4'-P-C4' energy: -20.452
flat angles P-C4'-P energy: -14.760
tors. eta vs tors. theta energy: -30.252
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: 8
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -244.721247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.721247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.721247 (E_RNA)
where:
Base-Base interactions energy: -146.571
where: short stacking energy: -70.327
Base-Backbone interact. energy: -0.009
local terms energy: -98.141136
where:
bonds (distance) C4'-P energy: -19.414
bonds (distance) P-C4' energy: -23.830
flat angles C4'-P-C4' energy: -20.582
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -22.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -256.143558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.143558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.143558 (E_RNA)
where:
Base-Base interactions energy: -165.530
where: short stacking energy: -79.319
Base-Backbone interact. energy: -0.658
local terms energy: -89.955347
where:
bonds (distance) C4'-P energy: -17.041
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -21.712
flat angles P-C4'-P energy: -17.835
tors. eta vs tors. theta energy: -16.312
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: 6
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -110.005093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.005093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.005093 (E_RNA)
where:
Base-Base interactions energy: -40.793
where: short stacking energy: -29.575
Base-Backbone interact. energy: 2.415
local terms energy: -71.627615
where:
bonds (distance) C4'-P energy: -17.953
bonds (distance) P-C4' energy: -24.878
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: 3.186
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: 7
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -153.896714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.896714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.896714 (E_RNA)
where:
Base-Base interactions energy: -81.218
where: short stacking energy: -39.911
Base-Backbone interact. energy: -0.182
local terms energy: -72.496046
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -23.872
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -14.299
tors. eta vs tors. theta energy: -3.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -106.513202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.513202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.513202 (E_RNA)
where:
Base-Base interactions energy: -44.966
where: short stacking energy: -32.639
Base-Backbone interact. energy: -0.659
local terms energy: -60.888346
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -19.537
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: 1.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -395.379596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.379596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.379596 (E_RNA)
where:
Base-Base interactions energy: -276.096
where: short stacking energy: -115.108
Base-Backbone interact. energy: 0.238
local terms energy: -119.522206
where:
bonds (distance) C4'-P energy: -23.712
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -23.314
flat angles P-C4'-P energy: -16.894
tors. eta vs tors. theta energy: -34.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -384.978063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.978063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.978063 (E_RNA)
where:
Base-Base interactions energy: -271.664
where: short stacking energy: -113.993
Base-Backbone interact. energy: -0.191
local terms energy: -113.122355
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -19.405
flat angles C4'-P-C4' energy: -23.752
flat angles P-C4'-P energy: -15.626
tors. eta vs tors. theta energy: -35.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -374.199831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.199831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.199831 (E_RNA)
where:
Base-Base interactions energy: -254.820
where: short stacking energy: -112.900
Base-Backbone interact. energy: -0.216
local terms energy: -119.163837
where:
bonds (distance) C4'-P energy: -20.093
bonds (distance) P-C4' energy: -24.630
flat angles C4'-P-C4' energy: -23.127
flat angles P-C4'-P energy: -17.459
tors. eta vs tors. theta energy: -33.856
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: 4, replica: 3
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -331.126032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.126032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.126032 (E_RNA)
where:
Base-Base interactions energy: -237.567
where: short stacking energy: -107.256
Base-Backbone interact. energy: -0.003
local terms energy: -93.556561
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -29.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -312.827898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.827898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.827898 (E_RNA)
where:
Base-Base interactions energy: -206.529
where: short stacking energy: -91.777
Base-Backbone interact. energy: -1.197
local terms energy: -105.101755
where:
bonds (distance) C4'-P energy: -17.049
bonds (distance) P-C4' energy: -19.279
flat angles C4'-P-C4' energy: -21.149
flat angles P-C4'-P energy: -17.117
tors. eta vs tors. theta energy: -30.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -259.223694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.223694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.223694 (E_RNA)
where:
Base-Base interactions energy: -159.331
where: short stacking energy: -82.680
Base-Backbone interact. energy: -0.272
local terms energy: -99.620354
where:
bonds (distance) C4'-P energy: -18.041
bonds (distance) P-C4' energy: -18.796
flat angles C4'-P-C4' energy: -26.678
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -23.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -242.763308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.763308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.763308 (E_RNA)
where:
Base-Base interactions energy: -151.210
where: short stacking energy: -72.714
Base-Backbone interact. energy: -0.035
local terms energy: -91.518136
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -15.527
tors. eta vs tors. theta energy: -24.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -151.931301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.931301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.931301 (E_RNA)
where:
Base-Base interactions energy: -94.793
where: short stacking energy: -50.444
Base-Backbone interact. energy: -0.145
local terms energy: -56.993548
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -6.558
tors. eta vs tors. theta energy: -5.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -109.638159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.638159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.638159 (E_RNA)
where:
Base-Base interactions energy: -33.093
where: short stacking energy: -29.979
Base-Backbone interact. energy: -0.129
local terms energy: -76.416888
where:
bonds (distance) C4'-P energy: -21.889
bonds (distance) P-C4' energy: -23.277
flat angles C4'-P-C4' energy: -19.672
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -2.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -145.857549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.857549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.857549 (E_RNA)
where:
Base-Base interactions energy: -71.268
where: short stacking energy: -41.601
Base-Backbone interact. energy: 1.082
local terms energy: -75.672400
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -21.563
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -14.956
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: 9
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -390.242764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.242764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.242764 (E_RNA)
where:
Base-Base interactions energy: -279.293
where: short stacking energy: -118.823
Base-Backbone interact. energy: -0.094
local terms energy: -110.855536
where:
bonds (distance) C4'-P energy: -20.699
bonds (distance) P-C4' energy: -21.232
flat angles C4'-P-C4' energy: -21.934
flat angles P-C4'-P energy: -15.513
tors. eta vs tors. theta energy: -31.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -383.833390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.833390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.833390 (E_RNA)
where:
Base-Base interactions energy: -266.546
where: short stacking energy: -109.991
Base-Backbone interact. energy: -0.089
local terms energy: -117.197993
where:
bonds (distance) C4'-P energy: -21.596
bonds (distance) P-C4' energy: -24.283
flat angles C4'-P-C4' energy: -20.012
flat angles P-C4'-P energy: -17.347
tors. eta vs tors. theta energy: -33.961
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: 10
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -380.944409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.944409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.944409 (E_RNA)
where:
Base-Base interactions energy: -266.373
where: short stacking energy: -118.367
Base-Backbone interact. energy: -0.679
local terms energy: -113.891533
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -24.381
flat angles P-C4'-P energy: -17.139
tors. eta vs tors. theta energy: -34.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -318.563709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.563709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.563709 (E_RNA)
where:
Base-Base interactions energy: -216.541
where: short stacking energy: -98.646
Base-Backbone interact. energy: -0.010
local terms energy: -102.013159
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -18.089
flat angles C4'-P-C4' energy: -19.204
flat angles P-C4'-P energy: -16.929
tors. eta vs tors. theta energy: -30.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -313.306844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.306844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.306844 (E_RNA)
where:
Base-Base interactions energy: -206.220
where: short stacking energy: -93.706
Base-Backbone interact. energy: -0.592
local terms energy: -106.494672
where:
bonds (distance) C4'-P energy: -22.668
bonds (distance) P-C4' energy: -18.960
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -14.916
tors. eta vs tors. theta energy: -29.730
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: 2
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -257.180845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.180845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.180845 (E_RNA)
where:
Base-Base interactions energy: -155.591
where: short stacking energy: -70.436
Base-Backbone interact. energy: -0.263
local terms energy: -101.326817
where:
bonds (distance) C4'-P energy: -22.278
bonds (distance) P-C4' energy: -22.974
flat angles C4'-P-C4' energy: -20.938
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -23.628
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: 8
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -229.792023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.792023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.792023 (E_RNA)
where:
Base-Base interactions energy: -145.621
where: short stacking energy: -68.816
Base-Backbone interact. energy: -0.370
local terms energy: -83.801784
where:
bonds (distance) C4'-P energy: -17.346
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -19.403
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -18.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -124.843780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.843780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.843780 (E_RNA)
where:
Base-Base interactions energy: -67.249
where: short stacking energy: -18.174
Base-Backbone interact. energy: -1.614
local terms energy: -55.980326
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -18.888
flat angles C4'-P-C4' energy: -18.936
flat angles P-C4'-P energy: -0.707
tors. eta vs tors. theta energy: -0.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -104.834253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.834253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.834253 (E_RNA)
where:
Base-Base interactions energy: -34.746
where: short stacking energy: -26.101
Base-Backbone interact. energy: -0.992
local terms energy: -69.096943
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -20.552
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: 2.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -98.968225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.968225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.968225 (E_RNA)
where:
Base-Base interactions energy: -40.218
where: short stacking energy: -34.122
Base-Backbone interact. energy: -0.468
local terms energy: -58.282761
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: 0.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -394.035486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.035486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.035486 (E_RNA)
where:
Base-Base interactions energy: -270.050
where: short stacking energy: -106.882
Base-Backbone interact. energy: -0.100
local terms energy: -123.886208
where:
bonds (distance) C4'-P energy: -21.768
bonds (distance) P-C4' energy: -24.737
flat angles C4'-P-C4' energy: -25.231
flat angles P-C4'-P energy: -16.818
tors. eta vs tors. theta energy: -35.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -392.153106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.153106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.153106 (E_RNA)
where:
Base-Base interactions energy: -275.618
where: short stacking energy: -117.396
Base-Backbone interact. energy: -0.001
local terms energy: -116.533778
where:
bonds (distance) C4'-P energy: -24.353
bonds (distance) P-C4' energy: -23.071
flat angles C4'-P-C4' energy: -18.526
flat angles P-C4'-P energy: -17.069
tors. eta vs tors. theta energy: -33.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -369.061529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.061529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.061529 (E_RNA)
where:
Base-Base interactions energy: -252.713
where: short stacking energy: -118.680
Base-Backbone interact. energy: -0.035
local terms energy: -116.314235
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -21.390
flat angles C4'-P-C4' energy: -25.846
flat angles P-C4'-P energy: -19.404
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: 4, replica: 3
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -320.404861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.404861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.404861 (E_RNA)
where:
Base-Base interactions energy: -210.492
where: short stacking energy: -101.973
Base-Backbone interact. energy: -0.720
local terms energy: -109.193101
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -19.581
flat angles C4'-P-C4' energy: -22.417
flat angles P-C4'-P energy: -16.540
tors. eta vs tors. theta energy: -33.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -314.562895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.562895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.562895 (E_RNA)
where:
Base-Base interactions energy: -211.477
where: short stacking energy: -95.197
Base-Backbone interact. energy: 0.069
local terms energy: -103.154197
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -23.214
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -30.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -255.223687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.223687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.223687 (E_RNA)
where:
Base-Base interactions energy: -159.312
where: short stacking energy: -77.316
Base-Backbone interact. energy: -0.142
local terms energy: -95.770234
where:
bonds (distance) C4'-P energy: -21.128
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -21.368
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -22.227
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: 2
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -279.567728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.567728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.567728 (E_RNA)
where:
Base-Base interactions energy: -186.015
where: short stacking energy: -83.405
Base-Backbone interact. energy: -0.652
local terms energy: -92.900851
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -22.619
flat angles C4'-P-C4' energy: -18.757
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: -20.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -119.908649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.908649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.908649 (E_RNA)
where:
Base-Base interactions energy: -51.137
where: short stacking energy: -51.137
Base-Backbone interact. energy: -0.079
local terms energy: -68.692981
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -23.775
flat angles C4'-P-C4' energy: -19.681
flat angles P-C4'-P energy: -8.376
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: 9, replica: 7
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -123.195456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.195456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.195456 (E_RNA)
where:
Base-Base interactions energy: -50.488
where: short stacking energy: -37.379
Base-Backbone interact. energy: -0.141
local terms energy: -72.566636
where:
bonds (distance) C4'-P energy: -17.580
bonds (distance) P-C4' energy: -18.646
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: -4.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -103.343801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.343801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.343801 (E_RNA)
where:
Base-Base interactions energy: -41.956
where: short stacking energy: -36.194
Base-Backbone interact. energy: 5.795
local terms energy: -67.182351
where:
bonds (distance) C4'-P energy: -18.143
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -7.217
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: 1, replica: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -391.326077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.326077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.326077 (E_RNA)
where:
Base-Base interactions energy: -278.582
where: short stacking energy: -113.711
Base-Backbone interact. energy: -0.156
local terms energy: -112.588044
where:
bonds (distance) C4'-P energy: -22.150
bonds (distance) P-C4' energy: -20.421
flat angles C4'-P-C4' energy: -24.107
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -32.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -387.807529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.807529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.807529 (E_RNA)
where:
Base-Base interactions energy: -273.476
where: short stacking energy: -113.392
Base-Backbone interact. energy: -0.002
local terms energy: -114.330370
where:
bonds (distance) C4'-P energy: -24.241
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -24.889
flat angles P-C4'-P energy: -16.130
tors. eta vs tors. theta energy: -32.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -361.130876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.130876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.130876 (E_RNA)
where:
Base-Base interactions energy: -248.499
where: short stacking energy: -103.639
Base-Backbone interact. energy: -0.290
local terms energy: -112.341478
where:
bonds (distance) C4'-P energy: -19.393
bonds (distance) P-C4' energy: -21.562
flat angles C4'-P-C4' energy: -20.222
flat angles P-C4'-P energy: -19.382
tors. eta vs tors. theta energy: -31.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -318.634672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.634672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.634672 (E_RNA)
where:
Base-Base interactions energy: -214.571
where: short stacking energy: -80.335
Base-Backbone interact. energy: -0.144
local terms energy: -103.919408
where:
bonds (distance) C4'-P energy: -24.210
bonds (distance) P-C4' energy: -24.390
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -25.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -322.879396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.879396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.879396 (E_RNA)
where:
Base-Base interactions energy: -220.737
where: short stacking energy: -96.519
Base-Backbone interact. energy: -0.011
local terms energy: -102.131843
where:
bonds (distance) C4'-P energy: -20.734
bonds (distance) P-C4' energy: -17.842
flat angles C4'-P-C4' energy: -17.879
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -30.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -242.772075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.772075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.772075 (E_RNA)
where:
Base-Base interactions energy: -151.499
where: short stacking energy: -69.979
Base-Backbone interact. energy: -0.103
local terms energy: -91.170890
where:
bonds (distance) C4'-P energy: -17.671
bonds (distance) P-C4' energy: -18.105
flat angles C4'-P-C4' energy: -20.912
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -20.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -270.406979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.406979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.406979 (E_RNA)
where:
Base-Base interactions energy: -180.707
where: short stacking energy: -89.486
Base-Backbone interact. energy: -1.443
local terms energy: -88.257217
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -15.425
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -26.895
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: 1
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -175.256098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.256098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.256098 (E_RNA)
where:
Base-Base interactions energy: -103.653
where: short stacking energy: -58.151
Base-Backbone interact. energy: -0.150
local terms energy: -71.452859
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -20.422
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: -15.277
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: 7
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -121.224853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.224853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.224853 (E_RNA)
where:
Base-Base interactions energy: -53.591
where: short stacking energy: -50.182
Base-Backbone interact. energy: -0.531
local terms energy: -67.102670
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -23.276
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -1.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -103.322116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.322116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.322116 (E_RNA)
where:
Base-Base interactions energy: -42.535
where: short stacking energy: -42.535
Base-Backbone interact. energy: -0.048
local terms energy: -60.739803
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -19.713
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -1.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -400.196965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.196965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.196965 (E_RNA)
where:
Base-Base interactions energy: -287.758
where: short stacking energy: -120.105
Base-Backbone interact. energy: -0.241
local terms energy: -112.198003
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -17.286
flat angles C4'-P-C4' energy: -26.307
flat angles P-C4'-P energy: -14.962
tors. eta vs tors. theta energy: -35.994
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: 5
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -384.727058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.727058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.727058 (E_RNA)
where:
Base-Base interactions energy: -271.219
where: short stacking energy: -108.966
Base-Backbone interact. energy: -0.094
local terms energy: -113.413904
where:
bonds (distance) C4'-P energy: -23.707
bonds (distance) P-C4' energy: -20.951
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -35.697
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: 10
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -362.409027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.409027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.409027 (E_RNA)
where:
Base-Base interactions energy: -243.769
where: short stacking energy: -105.249
Base-Backbone interact. energy: -0.094
local terms energy: -118.546411
where:
bonds (distance) C4'-P energy: -20.687
bonds (distance) P-C4' energy: -23.426
flat angles C4'-P-C4' energy: -22.657
flat angles P-C4'-P energy: -19.798
tors. eta vs tors. theta energy: -31.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -325.986561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.986561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.986561 (E_RNA)
where:
Base-Base interactions energy: -217.870
where: short stacking energy: -97.489
Base-Backbone interact. energy: -0.198
local terms energy: -107.919128
where:
bonds (distance) C4'-P energy: -18.014
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -23.880
flat angles P-C4'-P energy: -20.505
tors. eta vs tors. theta energy: -28.431
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: 3
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -306.341775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.341775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.341775 (E_RNA)
where:
Base-Base interactions energy: -207.780
where: short stacking energy: -84.954
Base-Backbone interact. energy: -0.102
local terms energy: -98.459175
where:
bonds (distance) C4'-P energy: -18.757
bonds (distance) P-C4' energy: -23.050
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -27.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -286.580424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.580424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.580424 (E_RNA)
where:
Base-Base interactions energy: -188.379
where: short stacking energy: -81.213
Base-Backbone interact. energy: -0.498
local terms energy: -97.703106
where:
bonds (distance) C4'-P energy: -20.664
bonds (distance) P-C4' energy: -23.469
flat angles C4'-P-C4' energy: -23.575
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -22.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -215.464689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.464689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.464689 (E_RNA)
where:
Base-Base interactions energy: -125.302
where: short stacking energy: -57.390
Base-Backbone interact. energy: -0.309
local terms energy: -89.853572
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -20.980
flat angles C4'-P-C4' energy: -22.419
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -18.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -177.171896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.171896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.171896 (E_RNA)
where:
Base-Base interactions energy: -102.643
where: short stacking energy: -49.533
Base-Backbone interact. energy: -0.100
local terms energy: -74.428935
where:
bonds (distance) C4'-P energy: -17.806
bonds (distance) P-C4' energy: -23.470
flat angles C4'-P-C4' energy: -21.639
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -5.538
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: 9, replica: 7
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -126.636677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.636677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.636677 (E_RNA)
where:
Base-Base interactions energy: -53.835
where: short stacking energy: -37.395
Base-Backbone interact. energy: -0.147
local terms energy: -72.654884
where:
bonds (distance) C4'-P energy: -18.941
bonds (distance) P-C4' energy: -21.563
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -5.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -102.869277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.869277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.869277 (E_RNA)
where:
Base-Base interactions energy: -33.718
where: short stacking energy: -33.456
Base-Backbone interact. energy: -0.067
local terms energy: -69.083904
where:
bonds (distance) C4'-P energy: -18.843
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -10.783
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -8.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -388.704123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.704123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.704123 (E_RNA)
where:
Base-Base interactions energy: -269.020
where: short stacking energy: -115.717
Base-Backbone interact. energy: -0.157
local terms energy: -119.527409
where:
bonds (distance) C4'-P energy: -25.173
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -23.540
flat angles P-C4'-P energy: -18.155
tors. eta vs tors. theta energy: -31.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -386.924196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.924196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.924196 (E_RNA)
where:
Base-Base interactions energy: -263.675
where: short stacking energy: -104.080
Base-Backbone interact. energy: -0.002
local terms energy: -123.246465
where:
bonds (distance) C4'-P energy: -22.134
bonds (distance) P-C4' energy: -24.835
flat angles C4'-P-C4' energy: -23.291
flat angles P-C4'-P energy: -19.217
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: 3, replica: 10
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -365.946479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.946479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.946479 (E_RNA)
where:
Base-Base interactions energy: -252.432
where: short stacking energy: -112.526
Base-Backbone interact. energy: -0.001
local terms energy: -113.514267
where:
bonds (distance) C4'-P energy: -22.183
bonds (distance) P-C4' energy: -18.934
flat angles C4'-P-C4' energy: -24.868
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -34.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -327.745577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.745577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.745577 (E_RNA)
where:
Base-Base interactions energy: -222.731
where: short stacking energy: -90.643
Base-Backbone interact. energy: -0.108
local terms energy: -104.906189
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -22.226
flat angles C4'-P-C4' energy: -21.496
flat angles P-C4'-P energy: -13.652
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: 5, replica: 3
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -310.471319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.471319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.471319 (E_RNA)
where:
Base-Base interactions energy: -206.753
where: short stacking energy: -82.742
Base-Backbone interact. energy: -0.978
local terms energy: -102.740653
where:
bonds (distance) C4'-P energy: -21.783
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -21.917
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -26.535
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: 2
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -294.519925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.519925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.519925 (E_RNA)
where:
Base-Base interactions energy: -192.760
where: short stacking energy: -81.158
Base-Backbone interact. energy: -0.661
local terms energy: -101.098764
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -19.586
flat angles C4'-P-C4' energy: -22.354
flat angles P-C4'-P energy: -20.094
tors. eta vs tors. theta energy: -23.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -240.981856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.981856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.981856 (E_RNA)
where:
Base-Base interactions energy: -140.344
where: short stacking energy: -65.867
Base-Backbone interact. energy: -0.953
local terms energy: -99.684479
where:
bonds (distance) C4'-P energy: -19.993
bonds (distance) P-C4' energy: -20.738
flat angles C4'-P-C4' energy: -22.058
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -21.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -188.711237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.711237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.711237 (E_RNA)
where:
Base-Base interactions energy: -113.639
where: short stacking energy: -35.330
Base-Backbone interact. energy: 0.745
local terms energy: -75.817913
where:
bonds (distance) C4'-P energy: -20.358
bonds (distance) P-C4' energy: -20.410
flat angles C4'-P-C4' energy: -22.177
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -4.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -115.103734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.103734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.103734 (E_RNA)
where:
Base-Base interactions energy: -48.999
where: short stacking energy: -45.791
Base-Backbone interact. energy: -0.450
local terms energy: -65.655272
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -9.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -103.393310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.393310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.393310 (E_RNA)
where:
Base-Base interactions energy: -39.374
where: short stacking energy: -35.791
Base-Backbone interact. energy: -0.163
local terms energy: -63.856356
where:
bonds (distance) C4'-P energy: -20.651
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -6.750
tors. eta vs tors. theta energy: -1.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -393.311640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.311640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.311640 (E_RNA)
where:
Base-Base interactions energy: -273.956
where: short stacking energy: -112.533
Base-Backbone interact. energy: -0.002
local terms energy: -119.353957
where:
bonds (distance) C4'-P energy: -21.400
bonds (distance) P-C4' energy: -23.225
flat angles C4'-P-C4' energy: -21.509
flat angles P-C4'-P energy: -17.978
tors. eta vs tors. theta energy: -35.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -392.106675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.106675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.106675 (E_RNA)
where:
Base-Base interactions energy: -272.543
where: short stacking energy: -112.738
Base-Backbone interact. energy: -1.339
local terms energy: -118.224344
where:
bonds (distance) C4'-P energy: -18.738
bonds (distance) P-C4' energy: -26.424
flat angles C4'-P-C4' energy: -23.308
flat angles P-C4'-P energy: -14.138
tors. eta vs tors. theta energy: -35.616
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: 10
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -361.677656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.677656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.677656 (E_RNA)
where:
Base-Base interactions energy: -245.929
where: short stacking energy: -109.005
Base-Backbone interact. energy: -0.067
local terms energy: -115.682170
where:
bonds (distance) C4'-P energy: -22.051
bonds (distance) P-C4' energy: -22.239
flat angles C4'-P-C4' energy: -24.496
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -37.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -328.925522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.925522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.925522 (E_RNA)
where:
Base-Base interactions energy: -214.165
where: short stacking energy: -93.997
Base-Backbone interact. energy: 1.515
local terms energy: -116.275148
where:
bonds (distance) C4'-P energy: -21.066
bonds (distance) P-C4' energy: -22.005
flat angles C4'-P-C4' energy: -25.542
flat angles P-C4'-P energy: -17.358
tors. eta vs tors. theta energy: -30.304
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: 251
Temperature: 1.100000
Total energy: -295.669091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.669091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.669091 (E_RNA)
where:
Base-Base interactions energy: -201.237
where: short stacking energy: -81.478
Base-Backbone interact. energy: -0.504
local terms energy: -93.928583
where:
bonds (distance) C4'-P energy: -17.651
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -21.449
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -18.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -294.352493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.352493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.352493 (E_RNA)
where:
Base-Base interactions energy: -196.778
where: short stacking energy: -78.120
Base-Backbone interact. energy: -0.424
local terms energy: -97.150228
where:
bonds (distance) C4'-P energy: -17.973
bonds (distance) P-C4' energy: -20.027
flat angles C4'-P-C4' energy: -20.590
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -25.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -240.737827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.737827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.737827 (E_RNA)
where:
Base-Base interactions energy: -166.754
where: short stacking energy: -72.346
Base-Backbone interact. energy: -1.620
local terms energy: -72.363374
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -20.242
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -14.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -117.517965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.517965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.517965 (E_RNA)
where:
Base-Base interactions energy: -52.744
where: short stacking energy: -37.097
Base-Backbone interact. energy: 1.448
local terms energy: -66.221559
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -19.148
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -1.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -156.723696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.723696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.723696 (E_RNA)
where:
Base-Base interactions energy: -87.577
where: short stacking energy: -41.114
Base-Backbone interact. energy: -1.715
local terms energy: -67.431256
where:
bonds (distance) C4'-P energy: -22.614
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -5.274
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: 7
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -112.088992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.088992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.088992 (E_RNA)
where:
Base-Base interactions energy: -46.144
where: short stacking energy: -30.898
Base-Backbone interact. energy: -0.048
local terms energy: -65.897233
where:
bonds (distance) C4'-P energy: -18.751
bonds (distance) P-C4' energy: -19.640
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -0.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -394.725766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.725766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.725766 (E_RNA)
where:
Base-Base interactions energy: -279.250
where: short stacking energy: -117.167
Base-Backbone interact. energy: -0.104
local terms energy: -115.371928
where:
bonds (distance) C4'-P energy: -20.897
bonds (distance) P-C4' energy: -21.339
flat angles C4'-P-C4' energy: -23.903
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -36.363
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: 5
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -388.661670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.661670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.661670 (E_RNA)
where:
Base-Base interactions energy: -271.679
where: short stacking energy: -106.232
Base-Backbone interact. energy: -0.106
local terms energy: -116.877063
where:
bonds (distance) C4'-P energy: -23.135
bonds (distance) P-C4' energy: -24.677
flat angles C4'-P-C4' energy: -24.054
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -34.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -377.158957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.158957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.158957 (E_RNA)
where:
Base-Base interactions energy: -257.552
where: short stacking energy: -111.325
Base-Backbone interact. energy: -0.009
local terms energy: -119.598164
where:
bonds (distance) C4'-P energy: -20.977
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -22.537
flat angles P-C4'-P energy: -18.460
tors. eta vs tors. theta energy: -34.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -321.518139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.518139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.518139 (E_RNA)
where:
Base-Base interactions energy: -211.690
where: short stacking energy: -106.902
Base-Backbone interact. energy: -0.175
local terms energy: -109.653029
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -25.400
flat angles P-C4'-P energy: -14.486
tors. eta vs tors. theta energy: -32.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -300.569780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.569780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.569780 (E_RNA)
where:
Base-Base interactions energy: -203.631
where: short stacking energy: -89.878
Base-Backbone interact. energy: -0.255
local terms energy: -96.684609
where:
bonds (distance) C4'-P energy: -19.968
bonds (distance) P-C4' energy: -21.564
flat angles C4'-P-C4' energy: -20.307
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -20.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -275.776706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.776706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.776706 (E_RNA)
where:
Base-Base interactions energy: -184.454
where: short stacking energy: -79.899
Base-Backbone interact. energy: -0.285
local terms energy: -91.037590
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -20.587
flat angles C4'-P-C4' energy: -20.275
flat angles P-C4'-P energy: -14.624
tors. eta vs tors. theta energy: -17.883
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: 8
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -232.751583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.751583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.751583 (E_RNA)
where:
Base-Base interactions energy: -146.323
where: short stacking energy: -65.792
Base-Backbone interact. energy: -0.555
local terms energy: -85.873319
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -21.746
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -16.582
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: 6
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -109.485873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.485873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.485873 (E_RNA)
where:
Base-Base interactions energy: -37.007
where: short stacking energy: -34.599
Base-Backbone interact. energy: -0.394
local terms energy: -72.084655
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -18.459
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -19.729
tors. eta vs tors. theta energy: -2.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -107.054320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.054320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.054320 (E_RNA)
where:
Base-Base interactions energy: -40.347
where: short stacking energy: -36.351
Base-Backbone interact. energy: 0.148
local terms energy: -66.854520
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -19.967
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -4.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -130.029566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.029566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.029566 (E_RNA)
where:
Base-Base interactions energy: -55.358
where: short stacking energy: -40.426
Base-Backbone interact. energy: -0.679
local terms energy: -73.991973
where:
bonds (distance) C4'-P energy: -19.559
bonds (distance) P-C4' energy: -20.808
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -4.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -397.679014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.679014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.679014 (E_RNA)
where:
Base-Base interactions energy: -274.190
where: short stacking energy: -109.400
Base-Backbone interact. energy: -0.103
local terms energy: -123.386028
where:
bonds (distance) C4'-P energy: -22.142
bonds (distance) P-C4' energy: -25.604
flat angles C4'-P-C4' energy: -24.905
flat angles P-C4'-P energy: -15.860
tors. eta vs tors. theta energy: -34.876
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: 10
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -384.449249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.449249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.449249 (E_RNA)
where:
Base-Base interactions energy: -267.817
where: short stacking energy: -116.868
Base-Backbone interact. energy: -0.011
local terms energy: -116.621203
where:
bonds (distance) C4'-P energy: -22.502
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -24.640
flat angles P-C4'-P energy: -18.603
tors. eta vs tors. theta energy: -33.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -376.049102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.049102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.049102 (E_RNA)
where:
Base-Base interactions energy: -264.259
where: short stacking energy: -112.809
Base-Backbone interact. energy: -0.005
local terms energy: -111.785056
where:
bonds (distance) C4'-P energy: -17.597
bonds (distance) P-C4' energy: -20.851
flat angles C4'-P-C4' energy: -24.746
flat angles P-C4'-P energy: -18.769
tors. eta vs tors. theta energy: -29.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -324.778099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.778099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.778099 (E_RNA)
where:
Base-Base interactions energy: -221.544
where: short stacking energy: -99.107
Base-Backbone interact. energy: -0.046
local terms energy: -103.188088
where:
bonds (distance) C4'-P energy: -19.065
bonds (distance) P-C4' energy: -19.744
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -34.291
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: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -317.751678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.751678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.751678 (E_RNA)
where:
Base-Base interactions energy: -216.134
where: short stacking energy: -96.967
Base-Backbone interact. energy: 1.693
local terms energy: -103.310197
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -19.971
flat angles P-C4'-P energy: -16.800
tors. eta vs tors. theta energy: -32.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -208.664857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.664857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.664857 (E_RNA)
where:
Base-Base interactions energy: -123.038
where: short stacking energy: -57.219
Base-Backbone interact. energy: -0.454
local terms energy: -85.172934
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -24.024
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -8.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -253.175822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.175822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.175822 (E_RNA)
where:
Base-Base interactions energy: -158.119
where: short stacking energy: -82.259
Base-Backbone interact. energy: -0.040
local terms energy: -95.015981
where:
bonds (distance) C4'-P energy: -21.037
bonds (distance) P-C4' energy: -18.487
flat angles C4'-P-C4' energy: -21.649
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -21.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -117.812874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.812874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.812874 (E_RNA)
where:
Base-Base interactions energy: -43.638
where: short stacking energy: -43.534
Base-Backbone interact. energy: -1.216
local terms energy: -72.959292
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -20.741
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -13.071
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: 9, replica: 6
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -108.420221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.420221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.420221 (E_RNA)
where:
Base-Base interactions energy: -43.055
where: short stacking energy: -33.177
Base-Backbone interact. energy: 0.174
local terms energy: -65.539078
where:
bonds (distance) C4'-P energy: -18.408
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: 0.271
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: 10, replica: 1
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -96.939797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.939797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.939797 (E_RNA)
where:
Base-Base interactions energy: -44.111
where: short stacking energy: -37.398
Base-Backbone interact. energy: -0.421
local terms energy: -52.407491
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -3.181
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: 10
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -379.842137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.842137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.842137 (E_RNA)
where:
Base-Base interactions energy: -256.859
where: short stacking energy: -122.008
Base-Backbone interact. energy: -0.039
local terms energy: -122.943974
where:
bonds (distance) C4'-P energy: -21.073
bonds (distance) P-C4' energy: -24.590
flat angles C4'-P-C4' energy: -25.170
flat angles P-C4'-P energy: -16.394
tors. eta vs tors. theta energy: -35.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -398.968440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.968440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.968440 (E_RNA)
where:
Base-Base interactions energy: -287.112
where: short stacking energy: -116.889
Base-Backbone interact. energy: -0.077
local terms energy: -111.779160
where:
bonds (distance) C4'-P energy: -18.080
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -22.093
flat angles P-C4'-P energy: -15.985
tors. eta vs tors. theta energy: -33.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -370.200730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.200730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.200730 (E_RNA)
where:
Base-Base interactions energy: -263.148
where: short stacking energy: -106.465
Base-Backbone interact. energy: -0.068
local terms energy: -106.984723
where:
bonds (distance) C4'-P energy: -19.363
bonds (distance) P-C4' energy: -15.869
flat angles C4'-P-C4' energy: -22.806
flat angles P-C4'-P energy: -19.231
tors. eta vs tors. theta energy: -29.716
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: 3
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -304.262735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.262735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.262735 (E_RNA)
where:
Base-Base interactions energy: -214.805
where: short stacking energy: -99.837
Base-Backbone interact. energy: -0.409
local terms energy: -89.049049
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -21.907
flat angles P-C4'-P energy: -3.304
tors. eta vs tors. theta energy: -29.072
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: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -324.639930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.639930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.639930 (E_RNA)
where:
Base-Base interactions energy: -224.370
where: short stacking energy: -95.336
Base-Backbone interact. energy: -0.053
local terms energy: -100.217306
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -19.096
flat angles C4'-P-C4' energy: -20.397
flat angles P-C4'-P energy: -13.914
tors. eta vs tors. theta energy: -29.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -233.271537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.271537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.271537 (E_RNA)
where:
Base-Base interactions energy: -135.332
where: short stacking energy: -76.023
Base-Backbone interact. energy: -0.009
local terms energy: -97.930358
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -24.353
flat angles C4'-P-C4' energy: -22.931
flat angles P-C4'-P energy: -15.384
tors. eta vs tors. theta energy: -20.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -247.861509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.861509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.861509 (E_RNA)
where:
Base-Base interactions energy: -160.467
where: short stacking energy: -86.211
Base-Backbone interact. energy: 1.474
local terms energy: -88.868632
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -20.515
flat angles C4'-P-C4' energy: -19.328
flat angles P-C4'-P energy: -13.769
tors. eta vs tors. theta energy: -21.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -117.325619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.325619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.325619 (E_RNA)
where:
Base-Base interactions energy: -50.768
where: short stacking energy: -48.165
Base-Backbone interact. energy: -0.165
local terms energy: -66.393211
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -6.059
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: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -119.533346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.533346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.533346 (E_RNA)
where:
Base-Base interactions energy: -45.825
where: short stacking energy: -42.441
Base-Backbone interact. energy: -0.475
local terms energy: -73.233470
where:
bonds (distance) C4'-P energy: -19.188
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -22.167
flat angles P-C4'-P energy: -14.362
tors. eta vs tors. theta energy: -0.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -115.244376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.244376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.244376 (E_RNA)
where:
Base-Base interactions energy: -46.762
where: short stacking energy: -38.382
Base-Backbone interact. energy: 1.835
local terms energy: -70.317430
where:
bonds (distance) C4'-P energy: -18.421
bonds (distance) P-C4' energy: -18.721
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -2.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -370.779449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.779449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.779449 (E_RNA)
where:
Base-Base interactions energy: -247.849
where: short stacking energy: -112.515
Base-Backbone interact. energy: -1.182
local terms energy: -121.747838
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -24.011
flat angles C4'-P-C4' energy: -25.652
flat angles P-C4'-P energy: -17.588
tors. eta vs tors. theta energy: -34.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -393.546751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.546751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.546751 (E_RNA)
where:
Base-Base interactions energy: -275.606
where: short stacking energy: -115.928
Base-Backbone interact. energy: -0.176
local terms energy: -117.765169
where:
bonds (distance) C4'-P energy: -17.186
bonds (distance) P-C4' energy: -23.679
flat angles C4'-P-C4' energy: -24.433
flat angles P-C4'-P energy: -18.096
tors. eta vs tors. theta energy: -34.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -383.868992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.868992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.868992 (E_RNA)
where:
Base-Base interactions energy: -273.987
where: short stacking energy: -111.995
Base-Backbone interact. energy: -0.004
local terms energy: -109.878467
where:
bonds (distance) C4'-P energy: -20.155
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -22.589
flat angles P-C4'-P energy: -16.326
tors. eta vs tors. theta energy: -31.729
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: 4, replica: 3
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -329.658819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.658819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.658819 (E_RNA)
where:
Base-Base interactions energy: -223.983
where: short stacking energy: -98.087
Base-Backbone interact. energy: -0.069
local terms energy: -105.606571
where:
bonds (distance) C4'-P energy: -22.089
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -33.883
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: 5, replica: 4
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -305.741777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.741777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.741777 (E_RNA)
where:
Base-Base interactions energy: -207.685
where: short stacking energy: -90.451
Base-Backbone interact. energy: -0.131
local terms energy: -97.926198
where:
bonds (distance) C4'-P energy: -21.430
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -22.388
flat angles P-C4'-P energy: -15.390
tors. eta vs tors. theta energy: -22.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -225.405284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.405284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.405284 (E_RNA)
where:
Base-Base interactions energy: -126.976
where: short stacking energy: -67.730
Base-Backbone interact. energy: -0.215
local terms energy: -98.214834
where:
bonds (distance) C4'-P energy: -18.199
bonds (distance) P-C4' energy: -20.565
flat angles C4'-P-C4' energy: -23.591
flat angles P-C4'-P energy: -13.135
tors. eta vs tors. theta energy: -22.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -217.236994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.236994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.236994 (E_RNA)
where:
Base-Base interactions energy: -132.766
where: short stacking energy: -65.946
Base-Backbone interact. energy: 0.654
local terms energy: -85.124674
where:
bonds (distance) C4'-P energy: -22.113
bonds (distance) P-C4' energy: -20.667
flat angles C4'-P-C4' energy: -22.038
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -11.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -125.829005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.829005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.829005 (E_RNA)
where:
Base-Base interactions energy: -44.399
where: short stacking energy: -43.533
Base-Backbone interact. energy: -0.189
local terms energy: -81.240252
where:
bonds (distance) C4'-P energy: -23.796
bonds (distance) P-C4' energy: -21.078
flat angles C4'-P-C4' energy: -20.388
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -7.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -106.132834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.132834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.132834 (E_RNA)
where:
Base-Base interactions energy: -39.928
where: short stacking energy: -37.820
Base-Backbone interact. energy: -0.353
local terms energy: -65.851867
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -21.224
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -6.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -101.496721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.496721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.496721 (E_RNA)
where:
Base-Base interactions energy: -39.384
where: short stacking energy: -26.016
Base-Backbone interact. energy: 1.830
local terms energy: -63.942131
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -8.056
flat angles P-C4'-P energy: -18.798
tors. eta vs tors. theta energy: -4.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -391.144227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.144227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.144227 (E_RNA)
where:
Base-Base interactions energy: -274.716
where: short stacking energy: -112.895
Base-Backbone interact. energy: -0.071
local terms energy: -116.356965
where:
bonds (distance) C4'-P energy: -22.597
bonds (distance) P-C4' energy: -18.960
flat angles C4'-P-C4' energy: -23.874
flat angles P-C4'-P energy: -17.314
tors. eta vs tors. theta energy: -33.611
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: 10
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -380.954838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.954838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.954838 (E_RNA)
where:
Base-Base interactions energy: -263.495
where: short stacking energy: -109.611
Base-Backbone interact. energy: -0.463
local terms energy: -116.996860
where:
bonds (distance) C4'-P energy: -25.114
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -19.444
flat angles P-C4'-P energy: -15.003
tors. eta vs tors. theta energy: -34.426
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: 5
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -381.621435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.621435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.621435 (E_RNA)
where:
Base-Base interactions energy: -264.246
where: short stacking energy: -106.435
Base-Backbone interact. energy: -0.043
local terms energy: -117.332961
where:
bonds (distance) C4'-P energy: -23.996
bonds (distance) P-C4' energy: -22.295
flat angles C4'-P-C4' energy: -22.916
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -35.709
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: 3
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -330.168184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.168184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.168184 (E_RNA)
where:
Base-Base interactions energy: -214.760
where: short stacking energy: -95.058
Base-Backbone interact. energy: 0.646
local terms energy: -116.054152
where:
bonds (distance) C4'-P energy: -19.667
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -24.991
flat angles P-C4'-P energy: -15.499
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: 5, replica: 4
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -315.289489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.289489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.289489 (E_RNA)
where:
Base-Base interactions energy: -218.375
where: short stacking energy: -91.229
Base-Backbone interact. energy: -0.162
local terms energy: -96.752659
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -21.314
flat angles C4'-P-C4' energy: -23.358
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -27.869
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: 8
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -246.375777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.375777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.375777 (E_RNA)
where:
Base-Base interactions energy: -154.392
where: short stacking energy: -80.630
Base-Backbone interact. energy: -0.138
local terms energy: -91.846093
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -21.953
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -18.073
tors. eta vs tors. theta energy: -20.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -242.860320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.860320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.860320 (E_RNA)
where:
Base-Base interactions energy: -161.905
where: short stacking energy: -80.869
Base-Backbone interact. energy: -0.097
local terms energy: -80.858913
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: -23.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -116.480435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.480435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.480435 (E_RNA)
where:
Base-Base interactions energy: -43.481
where: short stacking energy: -34.523
Base-Backbone interact. energy: -0.106
local terms energy: -72.894399
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -21.676
flat angles C4'-P-C4' energy: -22.898
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -0.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -142.669936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.669936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.669936 (E_RNA)
where:
Base-Base interactions energy: -68.435
where: short stacking energy: -41.490
Base-Backbone interact. energy: -0.428
local terms energy: -73.807160
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -21.693
flat angles C4'-P-C4' energy: -19.830
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -3.833
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: 7
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -117.059265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.059265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.059265 (E_RNA)
where:
Base-Base interactions energy: -46.023
where: short stacking energy: -37.202
Base-Backbone interact. energy: -0.048
local terms energy: -70.988379
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -22.296
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: -4.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -394.075445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.075445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.075445 (E_RNA)
where:
Base-Base interactions energy: -271.933
where: short stacking energy: -107.233
Base-Backbone interact. energy: -0.093
local terms energy: -122.049594
where:
bonds (distance) C4'-P energy: -20.190
bonds (distance) P-C4' energy: -23.849
flat angles C4'-P-C4' energy: -26.473
flat angles P-C4'-P energy: -17.898
tors. eta vs tors. theta energy: -33.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -388.811961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.811961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.811961 (E_RNA)
where:
Base-Base interactions energy: -274.176
where: short stacking energy: -112.580
Base-Backbone interact. energy: -0.144
local terms energy: -114.492534
where:
bonds (distance) C4'-P energy: -22.366
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -24.580
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -34.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -368.111002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.111002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.111002 (E_RNA)
where:
Base-Base interactions energy: -255.814
where: short stacking energy: -111.675
Base-Backbone interact. energy: -0.772
local terms energy: -111.524563
where:
bonds (distance) C4'-P energy: -23.723
bonds (distance) P-C4' energy: -15.615
flat angles C4'-P-C4' energy: -21.000
flat angles P-C4'-P energy: -17.813
tors. eta vs tors. theta energy: -33.374
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: 4
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -327.314557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.314557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.314557 (E_RNA)
where:
Base-Base interactions energy: -227.370
where: short stacking energy: -100.747
Base-Backbone interact. energy: -0.003
local terms energy: -99.941983
where:
bonds (distance) C4'-P energy: -19.989
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -29.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -317.934366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.934366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.934366 (E_RNA)
where:
Base-Base interactions energy: -222.955
where: short stacking energy: -96.092
Base-Backbone interact. energy: -0.002
local terms energy: -94.976971
where:
bonds (distance) C4'-P energy: -19.930
bonds (distance) P-C4' energy: -20.997
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -24.048
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: 8
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -274.472016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.472016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.472016 (E_RNA)
where:
Base-Base interactions energy: -178.497
where: short stacking energy: -92.446
Base-Backbone interact. energy: -0.840
local terms energy: -95.134464
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: -21.411
flat angles P-C4'-P energy: -14.895
tors. eta vs tors. theta energy: -25.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -249.906515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.906515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.906515 (E_RNA)
where:
Base-Base interactions energy: -161.773
where: short stacking energy: -82.172
Base-Backbone interact. energy: -0.098
local terms energy: -88.035260
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -18.295
flat angles C4'-P-C4' energy: -18.234
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: -21.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -149.910298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.910298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.910298 (E_RNA)
where:
Base-Base interactions energy: -76.402
where: short stacking energy: -49.650
Base-Backbone interact. energy: -0.119
local terms energy: -73.388778
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -20.530
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -16.868
tors. eta vs tors. theta energy: -2.699
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: 9, replica: 6
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -117.460487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.460487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.460487 (E_RNA)
where:
Base-Base interactions energy: -44.356
where: short stacking energy: -38.492
Base-Backbone interact. energy: 0.105
local terms energy: -73.209253
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -18.824
flat angles C4'-P-C4' energy: -20.585
flat angles P-C4'-P energy: -15.995
tors. eta vs tors. theta energy: -4.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -110.923405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.923405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.923405 (E_RNA)
where:
Base-Base interactions energy: -44.072
where: short stacking energy: -44.001
Base-Backbone interact. energy: 0.402
local terms energy: -67.252983
where:
bonds (distance) C4'-P energy: -18.614
bonds (distance) P-C4' energy: -11.910
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -8.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -394.301322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.301322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.301322 (E_RNA)
where:
Base-Base interactions energy: -277.571
where: short stacking energy: -113.457
Base-Backbone interact. energy: -0.002
local terms energy: -116.728788
where:
bonds (distance) C4'-P energy: -20.055
bonds (distance) P-C4' energy: -24.167
flat angles C4'-P-C4' energy: -24.507
flat angles P-C4'-P energy: -16.039
tors. eta vs tors. theta energy: -31.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -387.286554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.286554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.286554 (E_RNA)
where:
Base-Base interactions energy: -270.249
where: short stacking energy: -107.406
Base-Backbone interact. energy: -0.002
local terms energy: -117.035158
where:
bonds (distance) C4'-P energy: -21.265
bonds (distance) P-C4' energy: -21.291
flat angles C4'-P-C4' energy: -25.345
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -35.457
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: 10
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -358.678924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.678924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.678924 (E_RNA)
where:
Base-Base interactions energy: -250.651
where: short stacking energy: -100.337
Base-Backbone interact. energy: -0.005
local terms energy: -108.023188
where:
bonds (distance) C4'-P energy: -20.833
bonds (distance) P-C4' energy: -21.752
flat angles C4'-P-C4' energy: -22.644
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -30.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -328.966593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.966593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.966593 (E_RNA)
where:
Base-Base interactions energy: -216.975
where: short stacking energy: -98.947
Base-Backbone interact. energy: 1.100
local terms energy: -113.091026
where:
bonds (distance) C4'-P energy: -23.554
bonds (distance) P-C4' energy: -19.652
flat angles C4'-P-C4' energy: -21.323
flat angles P-C4'-P energy: -13.835
tors. eta vs tors. theta energy: -34.727
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: 3
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -292.338337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.338337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.338337 (E_RNA)
where:
Base-Base interactions energy: -194.603
where: short stacking energy: -80.928
Base-Backbone interact. energy: -0.076
local terms energy: -97.659236
where:
bonds (distance) C4'-P energy: -20.238
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -15.506
tors. eta vs tors. theta energy: -26.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -265.785457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.785457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.785457 (E_RNA)
where:
Base-Base interactions energy: -185.095
where: short stacking energy: -78.298
Base-Backbone interact. energy: -0.358
local terms energy: -80.332163
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -20.284
flat angles C4'-P-C4' energy: -18.619
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -20.776
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: 2
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -252.162402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.162402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.162402 (E_RNA)
where:
Base-Base interactions energy: -174.750
where: short stacking energy: -72.025
Base-Backbone interact. energy: -0.782
local terms energy: -76.630548
where:
bonds (distance) C4'-P energy: -16.315
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -21.028
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -12.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -168.036193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.036193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.036193 (E_RNA)
where:
Base-Base interactions energy: -87.781
where: short stacking energy: -43.801
Base-Backbone interact. energy: -0.223
local terms energy: -80.031965
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -16.835
flat angles C4'-P-C4' energy: -21.918
flat angles P-C4'-P energy: -14.043
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: 9, replica: 7
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -120.466318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.466318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.466318 (E_RNA)
where:
Base-Base interactions energy: -46.562
where: short stacking energy: -31.291
Base-Backbone interact. energy: -0.523
local terms energy: -73.382054
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -22.738
flat angles C4'-P-C4' energy: -20.702
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -2.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -110.041653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.041653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.041653 (E_RNA)
where:
Base-Base interactions energy: -40.816
where: short stacking energy: -36.490
Base-Backbone interact. energy: -0.275
local terms energy: -68.950355
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -22.987
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -14.754
tors. eta vs tors. theta energy: -3.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -389.736725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.736725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.736725 (E_RNA)
where:
Base-Base interactions energy: -274.570
where: short stacking energy: -110.305
Base-Backbone interact. energy: -0.046
local terms energy: -115.120470
where:
bonds (distance) C4'-P energy: -18.035
bonds (distance) P-C4' energy: -23.133
flat angles C4'-P-C4' energy: -20.879
flat angles P-C4'-P energy: -17.147
tors. eta vs tors. theta energy: -35.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -359.502667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.502667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.502667 (E_RNA)
where:
Base-Base interactions energy: -245.480
where: short stacking energy: -113.387
Base-Backbone interact. energy: -0.847
local terms energy: -113.176052
where:
bonds (distance) C4'-P energy: -19.467
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -25.767
flat angles P-C4'-P energy: -17.366
tors. eta vs tors. theta energy: -29.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -382.360994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.360994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.360994 (E_RNA)
where:
Base-Base interactions energy: -270.816
where: short stacking energy: -110.060
Base-Backbone interact. energy: -0.286
local terms energy: -111.259004
where:
bonds (distance) C4'-P energy: -24.667
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -33.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -314.899923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.899923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.899923 (E_RNA)
where:
Base-Base interactions energy: -213.109
where: short stacking energy: -87.775
Base-Backbone interact. energy: -0.144
local terms energy: -101.646566
where:
bonds (distance) C4'-P energy: -22.196
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -19.083
flat angles P-C4'-P energy: -17.613
tors. eta vs tors. theta energy: -23.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -280.481511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.481511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.481511 (E_RNA)
where:
Base-Base interactions energy: -180.528
where: short stacking energy: -85.100
Base-Backbone interact. energy: -0.249
local terms energy: -99.704367
where:
bonds (distance) C4'-P energy: -22.771
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -21.163
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: -25.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -260.133837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.133837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.133837 (E_RNA)
where:
Base-Base interactions energy: -169.189
where: short stacking energy: -82.681
Base-Backbone interact. energy: -0.031
local terms energy: -90.914558
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -21.469
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -25.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -227.702309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.702309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.702309 (E_RNA)
where:
Base-Base interactions energy: -140.800
where: short stacking energy: -70.738
Base-Backbone interact. energy: -0.072
local terms energy: -86.830299
where:
bonds (distance) C4'-P energy: -18.996
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -19.020
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -17.511
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: 8, replica: 7
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -115.666920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.666920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.666920 (E_RNA)
where:
Base-Base interactions energy: -52.126
where: short stacking energy: -37.876
Base-Backbone interact. energy: -0.323
local terms energy: -63.218016
where:
bonds (distance) C4'-P energy: -22.617
bonds (distance) P-C4' energy: -18.162
flat angles C4'-P-C4' energy: -22.378
flat angles P-C4'-P energy: -2.215
tors. eta vs tors. theta energy: 2.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -150.163443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.163443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.163443 (E_RNA)
where:
Base-Base interactions energy: -81.014
where: short stacking energy: -55.132
Base-Backbone interact. energy: -0.182
local terms energy: -68.967878
where:
bonds (distance) C4'-P energy: -17.137
bonds (distance) P-C4' energy: -19.310
flat angles C4'-P-C4' energy: -19.317
flat angles P-C4'-P energy: -2.415
tors. eta vs tors. theta energy: -10.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -96.496212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.496212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.496212 (E_RNA)
where:
Base-Base interactions energy: -40.089
where: short stacking energy: -34.754
Base-Backbone interact. energy: -0.353
local terms energy: -56.053989
where:
bonds (distance) C4'-P energy: -18.826
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -8.266
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -0.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -394.283278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.283278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.283278 (E_RNA)
where:
Base-Base interactions energy: -282.439
where: short stacking energy: -120.641
Base-Backbone interact. energy: 0.201
local terms energy: -112.044660
where:
bonds (distance) C4'-P energy: -17.998
bonds (distance) P-C4' energy: -22.277
flat angles C4'-P-C4' energy: -22.563
flat angles P-C4'-P energy: -14.390
tors. eta vs tors. theta energy: -34.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -376.948728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.948728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.948728 (E_RNA)
where:
Base-Base interactions energy: -263.985
where: short stacking energy: -110.896
Base-Backbone interact. energy: -0.000
local terms energy: -112.963033
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -23.079
flat angles C4'-P-C4' energy: -23.577
flat angles P-C4'-P energy: -17.338
tors. eta vs tors. theta energy: -32.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -379.201385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.201385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.201385 (E_RNA)
where:
Base-Base interactions energy: -269.678
where: short stacking energy: -107.245
Base-Backbone interact. energy: -0.809
local terms energy: -108.714859
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -24.467
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -16.911
tors. eta vs tors. theta energy: -32.130
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: 260
Temperature: 1.050000
Total energy: -315.911295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.911295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.911295 (E_RNA)
where:
Base-Base interactions energy: -203.334
where: short stacking energy: -99.655
Base-Backbone interact. energy: -0.583
local terms energy: -111.993815
where:
bonds (distance) C4'-P energy: -22.212
bonds (distance) P-C4' energy: -17.938
flat angles C4'-P-C4' energy: -25.449
flat angles P-C4'-P energy: -14.713
tors. eta vs tors. theta energy: -31.682
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: 5, replica: 3
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -288.135864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.135864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.135864 (E_RNA)
where:
Base-Base interactions energy: -196.481
where: short stacking energy: -74.528
Base-Backbone interact. energy: 0.360
local terms energy: -92.015558
where:
bonds (distance) C4'-P energy: -22.230
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: -20.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -270.446063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.446063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.446063 (E_RNA)
where:
Base-Base interactions energy: -174.262
where: short stacking energy: -82.118
Base-Backbone interact. energy: -0.068
local terms energy: -96.115981
where:
bonds (distance) C4'-P energy: -18.885
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -21.534
flat angles P-C4'-P energy: -15.511
tors. eta vs tors. theta energy: -19.419
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: 7, replica: 2
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -243.970635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.970635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.970635 (E_RNA)
where:
Base-Base interactions energy: -148.306
where: short stacking energy: -70.535
Base-Backbone interact. energy: -0.096
local terms energy: -95.568375
where:
bonds (distance) C4'-P energy: -21.637
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -24.678
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -18.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -124.115208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.115208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.115208 (E_RNA)
where:
Base-Base interactions energy: -50.822
where: short stacking energy: -47.117
Base-Backbone interact. energy: -0.113
local terms energy: -73.179432
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -22.465
flat angles C4'-P-C4' energy: -22.577
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -4.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -108.792752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.792752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.792752 (E_RNA)
where:
Base-Base interactions energy: -41.149
where: short stacking energy: -39.841
Base-Backbone interact. energy: 2.389
local terms energy: -70.032205
where:
bonds (distance) C4'-P energy: -23.182
bonds (distance) P-C4' energy: -19.818
flat angles C4'-P-C4' energy: -18.911
flat angles P-C4'-P energy: -5.829
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: 1
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -103.673930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.673930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.673930 (E_RNA)
where:
Base-Base interactions energy: -34.629
where: short stacking energy: -33.552
Base-Backbone interact. energy: -1.515
local terms energy: -67.529978
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -22.721
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -3.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -392.567533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.567533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.567533 (E_RNA)
where:
Base-Base interactions energy: -271.558
where: short stacking energy: -108.655
Base-Backbone interact. energy: -0.001
local terms energy: -121.008172
where:
bonds (distance) C4'-P energy: -24.665
bonds (distance) P-C4' energy: -23.866
flat angles C4'-P-C4' energy: -19.873
flat angles P-C4'-P energy: -17.698
tors. eta vs tors. theta energy: -34.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -389.914723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.914723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.914723 (E_RNA)
where:
Base-Base interactions energy: -273.353
where: short stacking energy: -108.677
Base-Backbone interact. energy: -0.102
local terms energy: -116.459318
where:
bonds (distance) C4'-P energy: -23.741
bonds (distance) P-C4' energy: -21.833
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -17.673
tors. eta vs tors. theta energy: -34.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -369.868517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.868517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.868517 (E_RNA)
where:
Base-Base interactions energy: -263.354
where: short stacking energy: -108.746
Base-Backbone interact. energy: 0.944
local terms energy: -107.457767
where:
bonds (distance) C4'-P energy: -17.057
bonds (distance) P-C4' energy: -19.040
flat angles C4'-P-C4' energy: -22.634
flat angles P-C4'-P energy: -16.990
tors. eta vs tors. theta energy: -31.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -327.689535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.689535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.689535 (E_RNA)
where:
Base-Base interactions energy: -224.170
where: short stacking energy: -92.373
Base-Backbone interact. energy: -0.353
local terms energy: -103.166225
where:
bonds (distance) C4'-P energy: -19.286
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -25.043
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -27.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -295.496717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.496717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.496717 (E_RNA)
where:
Base-Base interactions energy: -209.619
where: short stacking energy: -84.860
Base-Backbone interact. energy: 0.649
local terms energy: -86.526359
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -20.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -259.833877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.833877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.833877 (E_RNA)
where:
Base-Base interactions energy: -166.801
where: short stacking energy: -74.984
Base-Backbone interact. energy: -0.040
local terms energy: -92.993026
where:
bonds (distance) C4'-P energy: -23.004
bonds (distance) P-C4' energy: -20.327
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -21.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -238.542962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.542962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.542962 (E_RNA)
where:
Base-Base interactions energy: -146.513
where: short stacking energy: -72.230
Base-Backbone interact. energy: 0.053
local terms energy: -92.082312
where:
bonds (distance) C4'-P energy: -21.173
bonds (distance) P-C4' energy: -20.966
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -20.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -115.956322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.956322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.956322 (E_RNA)
where:
Base-Base interactions energy: -49.315
where: short stacking energy: -45.733
Base-Backbone interact. energy: -0.685
local terms energy: -65.956393
where:
bonds (distance) C4'-P energy: -18.309
bonds (distance) P-C4' energy: -19.372
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -4.634
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: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -111.985095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.985095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.985095 (E_RNA)
where:
Base-Base interactions energy: -43.951
where: short stacking energy: -30.182
Base-Backbone interact. energy: -0.311
local terms energy: -67.723183
where:
bonds (distance) C4'-P energy: -22.220
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: 0.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -97.458353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.458353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.458353 (E_RNA)
where:
Base-Base interactions energy: -34.256
where: short stacking energy: -29.995
Base-Backbone interact. energy: -0.113
local terms energy: -63.089367
where:
bonds (distance) C4'-P energy: -23.926
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -11.039
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -5.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -401.614420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.614420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.614420 (E_RNA)
where:
Base-Base interactions energy: -280.944
where: short stacking energy: -117.862
Base-Backbone interact. energy: -0.143
local terms energy: -120.527146
where:
bonds (distance) C4'-P energy: -22.701
bonds (distance) P-C4' energy: -23.615
flat angles C4'-P-C4' energy: -22.402
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: -37.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -383.453952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.453952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.453952 (E_RNA)
where:
Base-Base interactions energy: -266.386
where: short stacking energy: -112.851
Base-Backbone interact. energy: -0.003
local terms energy: -117.065393
where:
bonds (distance) C4'-P energy: -23.155
bonds (distance) P-C4' energy: -21.462
flat angles C4'-P-C4' energy: -24.377
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -33.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -357.022531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.022531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.022531 (E_RNA)
where:
Base-Base interactions energy: -245.427
where: short stacking energy: -112.973
Base-Backbone interact. energy: -0.004
local terms energy: -111.592090
where:
bonds (distance) C4'-P energy: -23.533
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -22.926
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -32.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -329.455229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.455229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.455229 (E_RNA)
where:
Base-Base interactions energy: -215.579
where: short stacking energy: -95.919
Base-Backbone interact. energy: -0.592
local terms energy: -113.284813
where:
bonds (distance) C4'-P energy: -23.729
bonds (distance) P-C4' energy: -19.673
flat angles C4'-P-C4' energy: -22.997
flat angles P-C4'-P energy: -14.888
tors. eta vs tors. theta energy: -31.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -286.912120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.912120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.912120 (E_RNA)
where:
Base-Base interactions energy: -193.827
where: short stacking energy: -94.620
Base-Backbone interact. energy: -0.276
local terms energy: -92.808860
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -23.126
flat angles C4'-P-C4' energy: -20.088
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -23.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -295.973573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.973573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.973573 (E_RNA)
where:
Base-Base interactions energy: -196.382
where: short stacking energy: -86.659
Base-Backbone interact. energy: -0.008
local terms energy: -99.583797
where:
bonds (distance) C4'-P energy: -21.529
bonds (distance) P-C4' energy: -19.965
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -29.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -242.113058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.113058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.113058 (E_RNA)
where:
Base-Base interactions energy: -147.169
where: short stacking energy: -67.994
Base-Backbone interact. energy: -2.418
local terms energy: -92.526108
where:
bonds (distance) C4'-P energy: -18.768
bonds (distance) P-C4' energy: -23.278
flat angles C4'-P-C4' energy: -20.250
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -18.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -133.157926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.157926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.157926 (E_RNA)
where:
Base-Base interactions energy: -63.784
where: short stacking energy: -35.887
Base-Backbone interact. energy: -1.131
local terms energy: -68.242980
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -19.896
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: 0.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -108.964005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.964005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.964005 (E_RNA)
where:
Base-Base interactions energy: -46.427
where: short stacking energy: -41.488
Base-Backbone interact. energy: -0.101
local terms energy: -62.436048
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -1.949
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: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -110.516026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.516026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.516026 (E_RNA)
where:
Base-Base interactions energy: -32.745
where: short stacking energy: -18.993
Base-Backbone interact. energy: -0.174
local terms energy: -77.596840
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -24.026
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -19.254
tors. eta vs tors. theta energy: -3.723
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: 9
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -397.416444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.416444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.416444 (E_RNA)
where:
Base-Base interactions energy: -276.395
where: short stacking energy: -113.747
Base-Backbone interact. energy: -0.144
local terms energy: -120.876871
where:
bonds (distance) C4'-P energy: -21.822
bonds (distance) P-C4' energy: -26.439
flat angles C4'-P-C4' energy: -24.763
flat angles P-C4'-P energy: -13.989
tors. eta vs tors. theta energy: -33.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -385.421973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.421973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.421973 (E_RNA)
where:
Base-Base interactions energy: -275.735
where: short stacking energy: -111.048
Base-Backbone interact. energy: -0.306
local terms energy: -109.381064
where:
bonds (distance) C4'-P energy: -17.158
bonds (distance) P-C4' energy: -22.274
flat angles C4'-P-C4' energy: -23.340
flat angles P-C4'-P energy: -15.897
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: 3, replica: 10
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -353.014726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.014726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.014726 (E_RNA)
where:
Base-Base interactions energy: -247.257
where: short stacking energy: -96.591
Base-Backbone interact. energy: 0.997
local terms energy: -106.754950
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -23.487
flat angles C4'-P-C4' energy: -26.455
flat angles P-C4'-P energy: -13.358
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: 4, replica: 4
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -317.555484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.555484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.555484 (E_RNA)
where:
Base-Base interactions energy: -225.932
where: short stacking energy: -91.829
Base-Backbone interact. energy: -0.107
local terms energy: -91.516721
where:
bonds (distance) C4'-P energy: -8.214
bonds (distance) P-C4' energy: -20.199
flat angles C4'-P-C4' energy: -22.640
flat angles P-C4'-P energy: -14.928
tors. eta vs tors. theta energy: -25.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -269.585878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.585878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.585878 (E_RNA)
where:
Base-Base interactions energy: -180.571
where: short stacking energy: -81.230
Base-Backbone interact. energy: 1.713
local terms energy: -90.727614
where:
bonds (distance) C4'-P energy: -18.508
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -21.792
flat angles P-C4'-P energy: -15.089
tors. eta vs tors. theta energy: -18.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -261.092042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.092042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.092042 (E_RNA)
where:
Base-Base interactions energy: -166.286
where: short stacking energy: -75.777
Base-Backbone interact. energy: -0.148
local terms energy: -94.657557
where:
bonds (distance) C4'-P energy: -20.253
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -16.317
tors. eta vs tors. theta energy: -27.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -231.748085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.748085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.748085 (E_RNA)
where:
Base-Base interactions energy: -147.561
where: short stacking energy: -63.024
Base-Backbone interact. energy: 0.901
local terms energy: -85.088406
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -13.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -112.076182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.076182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.076182 (E_RNA)
where:
Base-Base interactions energy: -44.366
where: short stacking energy: -43.571
Base-Backbone interact. energy: -0.173
local terms energy: -67.537860
where:
bonds (distance) C4'-P energy: -20.291
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -11.580
flat angles P-C4'-P energy: -12.661
tors. eta vs tors. theta energy: -5.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -124.508928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.508928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.508928 (E_RNA)
where:
Base-Base interactions energy: -60.714
where: short stacking energy: -40.927
Base-Backbone interact. energy: -0.725
local terms energy: -63.069919
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -20.937
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -4.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -108.635830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.635830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.635830 (E_RNA)
where:
Base-Base interactions energy: -45.233
where: short stacking energy: -32.092
Base-Backbone interact. energy: -0.259
local terms energy: -63.143874
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: 0.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -390.347132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.347132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.347132 (E_RNA)
where:
Base-Base interactions energy: -268.154
where: short stacking energy: -96.679
Base-Backbone interact. energy: -0.211
local terms energy: -121.982707
where:
bonds (distance) C4'-P energy: -21.381
bonds (distance) P-C4' energy: -22.614
flat angles C4'-P-C4' energy: -25.328
flat angles P-C4'-P energy: -17.526
tors. eta vs tors. theta energy: -35.134
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: 9
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -384.627385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.627385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.627385 (E_RNA)
where:
Base-Base interactions energy: -268.832
where: short stacking energy: -106.988
Base-Backbone interact. energy: -0.001
local terms energy: -115.795038
where:
bonds (distance) C4'-P energy: -20.419
bonds (distance) P-C4' energy: -20.235
flat angles C4'-P-C4' energy: -24.559
flat angles P-C4'-P energy: -17.231
tors. eta vs tors. theta energy: -33.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -373.862481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.862481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.862481 (E_RNA)
where:
Base-Base interactions energy: -258.236
where: short stacking energy: -115.994
Base-Backbone interact. energy: 0.263
local terms energy: -115.889276
where:
bonds (distance) C4'-P energy: -20.333
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -24.128
flat angles P-C4'-P energy: -18.215
tors. eta vs tors. theta energy: -37.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -330.668934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.668934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.668934 (E_RNA)
where:
Base-Base interactions energy: -231.538
where: short stacking energy: -97.074
Base-Backbone interact. energy: -0.168
local terms energy: -98.963242
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -22.476
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -15.214
tors. eta vs tors. theta energy: -30.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -273.881777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.881777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.881777 (E_RNA)
where:
Base-Base interactions energy: -177.740
where: short stacking energy: -87.137
Base-Backbone interact. energy: -0.217
local terms energy: -95.924947
where:
bonds (distance) C4'-P energy: -20.694
bonds (distance) P-C4' energy: -23.075
flat angles C4'-P-C4' energy: -20.931
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -21.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -252.390430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.390430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.390430 (E_RNA)
where:
Base-Base interactions energy: -162.230
where: short stacking energy: -75.873
Base-Backbone interact. energy: 0.327
local terms energy: -90.487538
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -20.307
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -20.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -245.347525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.347525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.347525 (E_RNA)
where:
Base-Base interactions energy: -164.567
where: short stacking energy: -80.198
Base-Backbone interact. energy: 0.341
local terms energy: -81.121223
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -18.332
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -14.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -118.029115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.029115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.029115 (E_RNA)
where:
Base-Base interactions energy: -48.246
where: short stacking energy: -44.784
Base-Backbone interact. energy: 0.543
local terms energy: -70.326067
where:
bonds (distance) C4'-P energy: -19.233
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -20.657
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: -0.139
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: 6
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -136.937205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.937205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.937205 (E_RNA)
where:
Base-Base interactions energy: -58.399
where: short stacking energy: -29.150
Base-Backbone interact. energy: -0.222
local terms energy: -78.315757
where:
bonds (distance) C4'-P energy: -21.094
bonds (distance) P-C4' energy: -21.206
flat angles C4'-P-C4' energy: -19.174
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -4.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -108.617929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.617929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.617929 (E_RNA)
where:
Base-Base interactions energy: -31.521
where: short stacking energy: -29.172
Base-Backbone interact. energy: -0.112
local terms energy: -76.984958
where:
bonds (distance) C4'-P energy: -19.537
bonds (distance) P-C4' energy: -22.369
flat angles C4'-P-C4' energy: -22.164
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -5.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -393.887768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.887768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.887768 (E_RNA)
where:
Base-Base interactions energy: -272.198
where: short stacking energy: -109.498
Base-Backbone interact. energy: -0.576
local terms energy: -121.114268
where:
bonds (distance) C4'-P energy: -23.956
bonds (distance) P-C4' energy: -24.182
flat angles C4'-P-C4' energy: -21.636
flat angles P-C4'-P energy: -18.600
tors. eta vs tors. theta energy: -32.741
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: 2, replica: 10
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -370.285783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.285783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.285783 (E_RNA)
where:
Base-Base interactions energy: -256.938
where: short stacking energy: -112.686
Base-Backbone interact. energy: -0.001
local terms energy: -113.346814
where:
bonds (distance) C4'-P energy: -21.967
bonds (distance) P-C4' energy: -20.021
flat angles C4'-P-C4' energy: -23.357
flat angles P-C4'-P energy: -13.289
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: 3, replica: 9
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -383.785243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.785243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.785243 (E_RNA)
where:
Base-Base interactions energy: -270.064
where: short stacking energy: -113.853
Base-Backbone interact. energy: -0.001
local terms energy: -113.720237
where:
bonds (distance) C4'-P energy: -22.221
bonds (distance) P-C4' energy: -18.708
flat angles C4'-P-C4' energy: -24.962
flat angles P-C4'-P energy: -16.827
tors. eta vs tors. theta energy: -31.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -319.172467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.172467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.172467 (E_RNA)
where:
Base-Base interactions energy: -212.865
where: short stacking energy: -87.625
Base-Backbone interact. energy: 0.629
local terms energy: -106.936799
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -19.851
flat angles C4'-P-C4' energy: -22.789
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -28.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -301.459581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.459581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.459581 (E_RNA)
where:
Base-Base interactions energy: -196.118
where: short stacking energy: -87.279
Base-Backbone interact. energy: -0.073
local terms energy: -105.268282
where:
bonds (distance) C4'-P energy: -19.752
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -21.474
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -26.161
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: 8
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -258.614859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.614859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.614859 (E_RNA)
where:
Base-Base interactions energy: -173.190
where: short stacking energy: -84.970
Base-Backbone interact. energy: -0.208
local terms energy: -85.216823
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -24.895
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -5.061
tors. eta vs tors. theta energy: -24.697
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: 2
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -253.086422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.086422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.086422 (E_RNA)
where:
Base-Base interactions energy: -155.828
where: short stacking energy: -90.300
Base-Backbone interact. energy: -1.168
local terms energy: -96.090042
where:
bonds (distance) C4'-P energy: -18.441
bonds (distance) P-C4' energy: -22.501
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -16.387
tors. eta vs tors. theta energy: -22.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -120.428052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.428052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.428052 (E_RNA)
where:
Base-Base interactions energy: -70.076
where: short stacking energy: -33.522
Base-Backbone interact. energy: 0.589
local terms energy: -50.941425
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -1.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -105.892963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.892963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.892963 (E_RNA)
where:
Base-Base interactions energy: -31.414
where: short stacking energy: -31.414
Base-Backbone interact. energy: -0.236
local terms energy: -74.242903
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -22.270
flat angles C4'-P-C4' energy: -18.603
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -3.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -100.213145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.213145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.213145 (E_RNA)
where:
Base-Base interactions energy: -38.445
where: short stacking energy: -34.779
Base-Backbone interact. energy: 0.961
local terms energy: -62.729395
where:
bonds (distance) C4'-P energy: -21.271
bonds (distance) P-C4' energy: -21.277
flat angles C4'-P-C4' energy: -18.611
flat angles P-C4'-P energy: -1.201
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: 5
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -389.015764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.015764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.015764 (E_RNA)
where:
Base-Base interactions energy: -268.489
where: short stacking energy: -112.615
Base-Backbone interact. energy: -0.102
local terms energy: -120.425000
where:
bonds (distance) C4'-P energy: -20.921
bonds (distance) P-C4' energy: -23.332
flat angles C4'-P-C4' energy: -22.144
flat angles P-C4'-P energy: -18.279
tors. eta vs tors. theta energy: -35.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -376.292999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.292999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.292999 (E_RNA)
where:
Base-Base interactions energy: -262.622
where: short stacking energy: -117.252
Base-Backbone interact. energy: -0.414
local terms energy: -113.257208
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -19.206
flat angles C4'-P-C4' energy: -24.601
flat angles P-C4'-P energy: -15.462
tors. eta vs tors. theta energy: -35.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -382.212322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.212322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.212322 (E_RNA)
where:
Base-Base interactions energy: -269.405
where: short stacking energy: -106.317
Base-Backbone interact. energy: -0.014
local terms energy: -112.793154
where:
bonds (distance) C4'-P energy: -19.140
bonds (distance) P-C4' energy: -18.701
flat angles C4'-P-C4' energy: -25.911
flat angles P-C4'-P energy: -17.154
tors. eta vs tors. theta energy: -31.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -311.084551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.084551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.084551 (E_RNA)
where:
Base-Base interactions energy: -215.236
where: short stacking energy: -79.187
Base-Backbone interact. energy: -0.522
local terms energy: -95.326383
where:
bonds (distance) C4'-P energy: -18.138
bonds (distance) P-C4' energy: -20.645
flat angles C4'-P-C4' energy: -23.387
flat angles P-C4'-P energy: -15.439
tors. eta vs tors. theta energy: -17.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -306.526343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.526343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.526343 (E_RNA)
where:
Base-Base interactions energy: -211.976
where: short stacking energy: -92.429
Base-Backbone interact. energy: -0.138
local terms energy: -94.412521
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -16.109
flat angles C4'-P-C4' energy: -19.332
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: -30.121
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: 8
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -261.202442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.202442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.202442 (E_RNA)
where:
Base-Base interactions energy: -164.930
where: short stacking energy: -71.119
Base-Backbone interact. energy: -0.609
local terms energy: -95.663357
where:
bonds (distance) C4'-P energy: -20.366
bonds (distance) P-C4' energy: -16.975
flat angles C4'-P-C4' energy: -19.738
flat angles P-C4'-P energy: -16.662
tors. eta vs tors. theta energy: -21.922
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: 2
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -255.923360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.923360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.923360 (E_RNA)
where:
Base-Base interactions energy: -160.762
where: short stacking energy: -85.615
Base-Backbone interact. energy: -1.470
local terms energy: -93.691070
where:
bonds (distance) C4'-P energy: -21.531
bonds (distance) P-C4' energy: -19.382
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -24.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -148.438811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.438811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.438811 (E_RNA)
where:
Base-Base interactions energy: -92.361
where: short stacking energy: -37.278
Base-Backbone interact. energy: 4.532
local terms energy: -60.609588
where:
bonds (distance) C4'-P energy: -8.543
bonds (distance) P-C4' energy: -20.195
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -4.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -112.008511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.008511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.008511 (E_RNA)
where:
Base-Base interactions energy: -31.688
where: short stacking energy: -28.131
Base-Backbone interact. energy: 0.082
local terms energy: -80.402388
where:
bonds (distance) C4'-P energy: -20.097
bonds (distance) P-C4' energy: -22.114
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -8.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -101.026534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.026534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.026534 (E_RNA)
where:
Base-Base interactions energy: -37.697
where: short stacking energy: -34.942
Base-Backbone interact. energy: -0.230
local terms energy: -63.099583
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -3.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -388.368356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.368356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.368356 (E_RNA)
where:
Base-Base interactions energy: -270.801
where: short stacking energy: -112.204
Base-Backbone interact. energy: -0.001
local terms energy: -117.566054
where:
bonds (distance) C4'-P energy: -20.185
bonds (distance) P-C4' energy: -24.709
flat angles C4'-P-C4' energy: -22.723
flat angles P-C4'-P energy: -17.862
tors. eta vs tors. theta energy: -32.088
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: 9
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -378.469377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.469377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.469377 (E_RNA)
where:
Base-Base interactions energy: -264.840
where: short stacking energy: -104.621
Base-Backbone interact. energy: -0.292
local terms energy: -113.337793
where:
bonds (distance) C4'-P energy: -26.584
bonds (distance) P-C4' energy: -19.426
flat angles C4'-P-C4' energy: -19.975
flat angles P-C4'-P energy: -15.466
tors. eta vs tors. theta energy: -31.887
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: 3, replica: 10
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -370.903877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.903877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.903877 (E_RNA)
where:
Base-Base interactions energy: -257.477
where: short stacking energy: -112.251
Base-Backbone interact. energy: -0.002
local terms energy: -113.424886
where:
bonds (distance) C4'-P energy: -18.356
bonds (distance) P-C4' energy: -20.273
flat angles C4'-P-C4' energy: -23.373
flat angles P-C4'-P energy: -17.997
tors. eta vs tors. theta energy: -33.426
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: 4, replica: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -305.778074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.778074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.778074 (E_RNA)
where:
Base-Base interactions energy: -209.087
where: short stacking energy: -92.732
Base-Backbone interact. energy: -0.082
local terms energy: -96.608285
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -19.732
flat angles C4'-P-C4' energy: -18.780
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -28.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -322.153029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.153029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.153029 (E_RNA)
where:
Base-Base interactions energy: -225.775
where: short stacking energy: -82.213
Base-Backbone interact. energy: -0.088
local terms energy: -96.289940
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -19.897
flat angles P-C4'-P energy: -14.726
tors. eta vs tors. theta energy: -23.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -198.355220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.355220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.355220 (E_RNA)
where:
Base-Base interactions energy: -113.678
where: short stacking energy: -63.564
Base-Backbone interact. energy: -0.265
local terms energy: -84.411881
where:
bonds (distance) C4'-P energy: -21.078
bonds (distance) P-C4' energy: -24.277
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -14.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -234.993910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.993910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.993910 (E_RNA)
where:
Base-Base interactions energy: -152.712
where: short stacking energy: -65.937
Base-Backbone interact. energy: -0.716
local terms energy: -81.565688
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -18.540
flat angles C4'-P-C4' energy: -21.632
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -14.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -117.099888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.099888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.099888 (E_RNA)
where:
Base-Base interactions energy: -51.533
where: short stacking energy: -44.399
Base-Backbone interact. energy: -0.712
local terms energy: -64.854109
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -22.171
flat angles C4'-P-C4' energy: -17.555
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -3.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -104.924476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.924476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.924476 (E_RNA)
where:
Base-Base interactions energy: -39.626
where: short stacking energy: -39.105
Base-Backbone interact. energy: -0.223
local terms energy: -65.075641
where:
bonds (distance) C4'-P energy: -20.501
bonds (distance) P-C4' energy: -18.012
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -5.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -105.871727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.871727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.871727 (E_RNA)
where:
Base-Base interactions energy: -37.516
where: short stacking energy: -37.516
Base-Backbone interact. energy: -0.115
local terms energy: -68.240381
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -24.724
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -2.952
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: 1, replica: 5
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -388.082816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.082816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.082816 (E_RNA)
where:
Base-Base interactions energy: -268.307
where: short stacking energy: -106.885
Base-Backbone interact. energy: -0.350
local terms energy: -119.425961
where:
bonds (distance) C4'-P energy: -24.564
bonds (distance) P-C4' energy: -25.258
flat angles C4'-P-C4' energy: -22.317
flat angles P-C4'-P energy: -15.159
tors. eta vs tors. theta energy: -32.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -393.390261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.390261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.390261 (E_RNA)
where:
Base-Base interactions energy: -277.939
where: short stacking energy: -111.790
Base-Backbone interact. energy: 0.195
local terms energy: -115.645971
where:
bonds (distance) C4'-P energy: -23.466
bonds (distance) P-C4' energy: -21.066
flat angles C4'-P-C4' energy: -23.929
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -34.100
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: 3
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -318.397693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.397693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.397693 (E_RNA)
where:
Base-Base interactions energy: -214.240
where: short stacking energy: -92.956
Base-Backbone interact. energy: -0.032
local terms energy: -104.126162
where:
bonds (distance) C4'-P energy: -22.506
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -24.624
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -28.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -351.362176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.362176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.362176 (E_RNA)
where:
Base-Base interactions energy: -245.984
where: short stacking energy: -95.466
Base-Backbone interact. energy: 0.589
local terms energy: -105.966776
where:
bonds (distance) C4'-P energy: -21.487
bonds (distance) P-C4' energy: -20.257
flat angles C4'-P-C4' energy: -22.114
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -30.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -313.455691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.455691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.455691 (E_RNA)
where:
Base-Base interactions energy: -213.314
where: short stacking energy: -95.026
Base-Backbone interact. energy: -0.535
local terms energy: -99.606654
where:
bonds (distance) C4'-P energy: -21.440
bonds (distance) P-C4' energy: -17.704
flat angles C4'-P-C4' energy: -22.484
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -26.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -238.789918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.789918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.789918 (E_RNA)
where:
Base-Base interactions energy: -160.048
where: short stacking energy: -87.336
Base-Backbone interact. energy: 0.804
local terms energy: -79.546340
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -7.836
flat angles C4'-P-C4' energy: -23.041
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -21.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -247.768619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.768619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.768619 (E_RNA)
where:
Base-Base interactions energy: -156.288
where: short stacking energy: -68.991
Base-Backbone interact. energy: -0.280
local terms energy: -91.200627
where:
bonds (distance) C4'-P energy: -23.536
bonds (distance) P-C4' energy: -18.423
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -15.969
tors. eta vs tors. theta energy: -15.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -118.365605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.365605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.365605 (E_RNA)
where:
Base-Base interactions energy: -61.843
where: short stacking energy: -29.894
Base-Backbone interact. energy: -1.279
local terms energy: -55.243771
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -20.428
flat angles C4'-P-C4' energy: -12.204
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: 5.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -104.957098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.957098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.957098 (E_RNA)
where:
Base-Base interactions energy: -35.701
where: short stacking energy: -28.976
Base-Backbone interact. energy: 0.426
local terms energy: -69.681672
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -21.613
flat angles C4'-P-C4' energy: -10.146
flat angles P-C4'-P energy: -15.053
tors. eta vs tors. theta energy: -6.285
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: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -103.546095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.546095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.546095 (E_RNA)
where:
Base-Base interactions energy: -41.146
where: short stacking energy: -28.220
Base-Backbone interact. energy: -0.290
local terms energy: -62.110636
where:
bonds (distance) C4'-P energy: -20.138
bonds (distance) P-C4' energy: -24.671
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -3.938
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: 5
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -386.232257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.232257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.232257 (E_RNA)
where:
Base-Base interactions energy: -267.133
where: short stacking energy: -106.242
Base-Backbone interact. energy: -0.080
local terms energy: -119.018830
where:
bonds (distance) C4'-P energy: -23.409
bonds (distance) P-C4' energy: -23.580
flat angles C4'-P-C4' energy: -24.004
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -35.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -385.517669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.517669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.517669 (E_RNA)
where:
Base-Base interactions energy: -270.039
where: short stacking energy: -110.903
Base-Backbone interact. energy: -0.002
local terms energy: -115.476680
where:
bonds (distance) C4'-P energy: -24.549
bonds (distance) P-C4' energy: -21.875
flat angles C4'-P-C4' energy: -19.139
flat angles P-C4'-P energy: -17.910
tors. eta vs tors. theta energy: -32.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -331.643628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.643628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.643628 (E_RNA)
where:
Base-Base interactions energy: -218.798
where: short stacking energy: -100.326
Base-Backbone interact. energy: -0.250
local terms energy: -112.595768
where:
bonds (distance) C4'-P energy: -24.406
bonds (distance) P-C4' energy: -23.035
flat angles C4'-P-C4' energy: -20.259
flat angles P-C4'-P energy: -13.970
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: 4, replica: 10
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -352.571069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.571069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.571069 (E_RNA)
where:
Base-Base interactions energy: -239.614
where: short stacking energy: -94.292
Base-Backbone interact. energy: -1.470
local terms energy: -111.487122
where:
bonds (distance) C4'-P energy: -21.270
bonds (distance) P-C4' energy: -23.207
flat angles C4'-P-C4' energy: -22.274
flat angles P-C4'-P energy: -14.633
tors. eta vs tors. theta energy: -30.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -303.102833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.102833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.102833 (E_RNA)
where:
Base-Base interactions energy: -198.810
where: short stacking energy: -99.460
Base-Backbone interact. energy: -0.239
local terms energy: -104.054532
where:
bonds (distance) C4'-P energy: -18.705
bonds (distance) P-C4' energy: -18.391
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -18.135
tors. eta vs tors. theta energy: -30.715
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: 269
Temperature: 1.150000
Total energy: -266.240288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.240288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.240288 (E_RNA)
where:
Base-Base interactions energy: -180.188
where: short stacking energy: -85.633
Base-Backbone interact. energy: 0.619
local terms energy: -86.671616
where:
bonds (distance) C4'-P energy: -23.123
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -22.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -230.500336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.500336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.500336 (E_RNA)
where:
Base-Base interactions energy: -146.973
where: short stacking energy: -80.974
Base-Backbone interact. energy: -0.444
local terms energy: -83.083806
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -20.035
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -18.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -108.893018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.893018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.893018 (E_RNA)
where:
Base-Base interactions energy: -48.029
where: short stacking energy: -37.283
Base-Backbone interact. energy: -1.477
local terms energy: -59.386370
where:
bonds (distance) C4'-P energy: -17.682
bonds (distance) P-C4' energy: -19.993
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -0.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -114.756628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.756628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.756628 (E_RNA)
where:
Base-Base interactions energy: -47.410
where: short stacking energy: -32.967
Base-Backbone interact. energy: -0.264
local terms energy: -67.082406
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -22.577
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -5.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -107.505140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.505140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.505140 (E_RNA)
where:
Base-Base interactions energy: -34.029
where: short stacking energy: -28.162
Base-Backbone interact. energy: -0.143
local terms energy: -73.333132
where:
bonds (distance) C4'-P energy: -20.261
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -22.286
flat angles P-C4'-P energy: -4.161
tors. eta vs tors. theta energy: -9.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -393.339790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.339790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.339790 (E_RNA)
where:
Base-Base interactions energy: -272.875
where: short stacking energy: -112.027
Base-Backbone interact. energy: -0.006
local terms energy: -120.458846
where:
bonds (distance) C4'-P energy: -21.952
bonds (distance) P-C4' energy: -20.126
flat angles C4'-P-C4' energy: -23.938
flat angles P-C4'-P energy: -19.145
tors. eta vs tors. theta energy: -35.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -392.525989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.525989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.525989 (E_RNA)
where:
Base-Base interactions energy: -282.735
where: short stacking energy: -118.320
Base-Backbone interact. energy: -0.001
local terms energy: -109.790022
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -19.708
flat angles C4'-P-C4' energy: -22.823
flat angles P-C4'-P energy: -18.043
tors. eta vs tors. theta energy: -32.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -355.721422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.721422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.721422 (E_RNA)
where:
Base-Base interactions energy: -257.110
where: short stacking energy: -109.871
Base-Backbone interact. energy: 0.699
local terms energy: -99.309779
where:
bonds (distance) C4'-P energy: -19.113
bonds (distance) P-C4' energy: -19.360
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -15.577
tors. eta vs tors. theta energy: -31.734
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: 3
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -322.086689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.086689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.086689 (E_RNA)
where:
Base-Base interactions energy: -210.696
where: short stacking energy: -94.161
Base-Backbone interact. energy: -0.008
local terms energy: -111.382963
where:
bonds (distance) C4'-P energy: -23.740
bonds (distance) P-C4' energy: -20.143
flat angles C4'-P-C4' energy: -20.383
flat angles P-C4'-P energy: -15.651
tors. eta vs tors. theta energy: -31.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -310.597912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.597912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.597912 (E_RNA)
where:
Base-Base interactions energy: -210.415
where: short stacking energy: -93.768
Base-Backbone interact. energy: 0.828
local terms energy: -101.010340
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -21.548
flat angles C4'-P-C4' energy: -21.034
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -30.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -291.269773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.269773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.269773 (E_RNA)
where:
Base-Base interactions energy: -197.276
where: short stacking energy: -84.858
Base-Backbone interact. energy: -0.081
local terms energy: -93.912225
where:
bonds (distance) C4'-P energy: -20.733
bonds (distance) P-C4' energy: -25.242
flat angles C4'-P-C4' energy: -18.647
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -20.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -224.327409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.327409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.327409 (E_RNA)
where:
Base-Base interactions energy: -141.671
where: short stacking energy: -64.153
Base-Backbone interact. energy: -0.130
local terms energy: -82.526568
where:
bonds (distance) C4'-P energy: -21.186
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -18.638
flat angles P-C4'-P energy: -14.859
tors. eta vs tors. theta energy: -13.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -111.600704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.600704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.600704 (E_RNA)
where:
Base-Base interactions energy: -38.781
where: short stacking energy: -36.166
Base-Backbone interact. energy: 0.267
local terms energy: -73.086460
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -19.666
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -5.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -107.054809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.054809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.054809 (E_RNA)
where:
Base-Base interactions energy: -46.894
where: short stacking energy: -35.176
Base-Backbone interact. energy: 1.355
local terms energy: -61.514941
where:
bonds (distance) C4'-P energy: -21.228
bonds (distance) P-C4' energy: -19.360
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -4.161
tors. eta vs tors. theta energy: -1.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -99.626791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.626791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.626791 (E_RNA)
where:
Base-Base interactions energy: -32.620
where: short stacking energy: -28.060
Base-Backbone interact. energy: 1.690
local terms energy: -68.696079
where:
bonds (distance) C4'-P energy: -20.370
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -5.732
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: 9
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -390.829755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.829755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.829755 (E_RNA)
where:
Base-Base interactions energy: -285.155
where: short stacking energy: -116.910
Base-Backbone interact. energy: -0.014
local terms energy: -105.661045
where:
bonds (distance) C4'-P energy: -20.590
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -21.095
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -34.814
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: 2, replica: 10
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -372.294174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.294174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.294174 (E_RNA)
where:
Base-Base interactions energy: -266.338
where: short stacking energy: -99.522
Base-Backbone interact. energy: -0.067
local terms energy: -105.889725
where:
bonds (distance) C4'-P energy: -20.979
bonds (distance) P-C4' energy: -20.081
flat angles C4'-P-C4' energy: -21.499
flat angles P-C4'-P energy: -16.507
tors. eta vs tors. theta energy: -26.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -389.697383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.697383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.697383 (E_RNA)
where:
Base-Base interactions energy: -273.061
where: short stacking energy: -103.982
Base-Backbone interact. energy: -0.031
local terms energy: -116.605062
where:
bonds (distance) C4'-P energy: -23.075
bonds (distance) P-C4' energy: -19.619
flat angles C4'-P-C4' energy: -19.622
flat angles P-C4'-P energy: -19.918
tors. eta vs tors. theta energy: -34.370
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: 3
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -310.196696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.196696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.196696 (E_RNA)
where:
Base-Base interactions energy: -218.479
where: short stacking energy: -88.633
Base-Backbone interact. energy: -0.466
local terms energy: -91.251701
where:
bonds (distance) C4'-P energy: -20.039
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -13.115
tors. eta vs tors. theta energy: -22.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -305.628020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.628020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.628020 (E_RNA)
where:
Base-Base interactions energy: -210.848
where: short stacking energy: -87.171
Base-Backbone interact. energy: 0.129
local terms energy: -94.909387
where:
bonds (distance) C4'-P energy: -17.567
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -21.979
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -25.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -259.355861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.355861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.355861 (E_RNA)
where:
Base-Base interactions energy: -174.775
where: short stacking energy: -85.727
Base-Backbone interact. energy: -0.422
local terms energy: -84.158520
where:
bonds (distance) C4'-P energy: -22.581
bonds (distance) P-C4' energy: -16.813
flat angles C4'-P-C4' energy: -11.067
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -20.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -266.819677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.819677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.819677 (E_RNA)
where:
Base-Base interactions energy: -177.641
where: short stacking energy: -75.391
Base-Backbone interact. energy: -0.128
local terms energy: -89.050887
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -22.059
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -17.763
tors. eta vs tors. theta energy: -19.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -119.125464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.125464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.125464 (E_RNA)
where:
Base-Base interactions energy: -55.713
where: short stacking energy: -31.910
Base-Backbone interact. energy: -0.361
local terms energy: -63.051019
where:
bonds (distance) C4'-P energy: -18.806
bonds (distance) P-C4' energy: -22.007
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -5.340
tors. eta vs tors. theta energy: -5.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -110.633935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.633935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.633935 (E_RNA)
where:
Base-Base interactions energy: -41.644
where: short stacking energy: -39.904
Base-Backbone interact. energy: -0.397
local terms energy: -68.593186
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -19.050
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -6.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -103.684786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.684786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.684786 (E_RNA)
where:
Base-Base interactions energy: -34.747
where: short stacking energy: -34.747
Base-Backbone interact. energy: -0.437
local terms energy: -68.500511
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -6.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -390.555050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.555050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.555050 (E_RNA)
where:
Base-Base interactions energy: -277.621
where: short stacking energy: -112.492
Base-Backbone interact. energy: -0.070
local terms energy: -112.863904
where:
bonds (distance) C4'-P energy: -23.247
bonds (distance) P-C4' energy: -18.406
flat angles C4'-P-C4' energy: -22.123
flat angles P-C4'-P energy: -16.302
tors. eta vs tors. theta energy: -32.787
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: 10
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -376.562619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.562619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.562619 (E_RNA)
where:
Base-Base interactions energy: -264.271
where: short stacking energy: -107.917
Base-Backbone interact. energy: -0.964
local terms energy: -111.327733
where:
bonds (distance) C4'-P energy: -21.038
bonds (distance) P-C4' energy: -20.024
flat angles C4'-P-C4' energy: -22.882
flat angles P-C4'-P energy: -17.682
tors. eta vs tors. theta energy: -29.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -380.462887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.462887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.462887 (E_RNA)
where:
Base-Base interactions energy: -265.692
where: short stacking energy: -105.299
Base-Backbone interact. energy: -0.126
local terms energy: -114.644911
where:
bonds (distance) C4'-P energy: -22.816
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -23.617
flat angles P-C4'-P energy: -17.185
tors. eta vs tors. theta energy: -35.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -318.664490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.664490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.664490 (E_RNA)
where:
Base-Base interactions energy: -215.971
where: short stacking energy: -89.984
Base-Backbone interact. energy: -0.011
local terms energy: -102.682227
where:
bonds (distance) C4'-P energy: -14.655
bonds (distance) P-C4' energy: -19.701
flat angles C4'-P-C4' energy: -24.292
flat angles P-C4'-P energy: -15.010
tors. eta vs tors. theta energy: -29.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -306.148504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.148504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.148504 (E_RNA)
where:
Base-Base interactions energy: -207.660
where: short stacking energy: -89.919
Base-Backbone interact. energy: 0.800
local terms energy: -99.289075
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -19.039
flat angles C4'-P-C4' energy: -20.067
flat angles P-C4'-P energy: -16.834
tors. eta vs tors. theta energy: -28.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -260.687657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.687657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.687657 (E_RNA)
where:
Base-Base interactions energy: -167.806
where: short stacking energy: -84.636
Base-Backbone interact. energy: -0.200
local terms energy: -92.681360
where:
bonds (distance) C4'-P energy: -21.161
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -22.000
flat angles P-C4'-P energy: -14.600
tors. eta vs tors. theta energy: -17.643
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: 2
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -295.491070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.491070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.491070 (E_RNA)
where:
Base-Base interactions energy: -201.995
where: short stacking energy: -75.622
Base-Backbone interact. energy: -1.078
local terms energy: -92.417436
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -22.316
flat angles C4'-P-C4' energy: -23.751
flat angles P-C4'-P energy: -14.521
tors. eta vs tors. theta energy: -15.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -118.176458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.176458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.176458 (E_RNA)
where:
Base-Base interactions energy: -57.454
where: short stacking energy: -44.848
Base-Backbone interact. energy: 1.436
local terms energy: -62.158052
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -19.312
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -0.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -104.103720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.103720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.103720 (E_RNA)
where:
Base-Base interactions energy: -39.523
where: short stacking energy: -39.343
Base-Backbone interact. energy: -0.121
local terms energy: -64.459568
where:
bonds (distance) C4'-P energy: -21.409
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -9.326
flat angles P-C4'-P energy: -15.500
tors. eta vs tors. theta energy: -6.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -97.017969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.017969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.017969 (E_RNA)
where:
Base-Base interactions energy: -31.829
where: short stacking energy: -20.945
Base-Backbone interact. energy: -0.266
local terms energy: -64.922417
where:
bonds (distance) C4'-P energy: -18.075
bonds (distance) P-C4' energy: -22.618
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -14.440
tors. eta vs tors. theta energy: 1.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -391.996273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.996273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.996273 (E_RNA)
where:
Base-Base interactions energy: -274.231
where: short stacking energy: -111.924
Base-Backbone interact. energy: -0.478
local terms energy: -117.287625
where:
bonds (distance) C4'-P energy: -23.534
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -24.658
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -35.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -383.905715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.905715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.905715 (E_RNA)
where:
Base-Base interactions energy: -265.212
where: short stacking energy: -104.668
Base-Backbone interact. energy: -0.002
local terms energy: -118.692208
where:
bonds (distance) C4'-P energy: -24.348
bonds (distance) P-C4' energy: -17.028
flat angles C4'-P-C4' energy: -25.238
flat angles P-C4'-P energy: -16.912
tors. eta vs tors. theta energy: -35.166
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: 10
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -375.068683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.068683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.068683 (E_RNA)
where:
Base-Base interactions energy: -267.642
where: short stacking energy: -104.882
Base-Backbone interact. energy: 0.033
local terms energy: -107.459566
where:
bonds (distance) C4'-P energy: -17.878
bonds (distance) P-C4' energy: -20.638
flat angles C4'-P-C4' energy: -25.436
flat angles P-C4'-P energy: -15.911
tors. eta vs tors. theta energy: -27.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -315.945319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.945319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.945319 (E_RNA)
where:
Base-Base interactions energy: -210.865
where: short stacking energy: -95.704
Base-Backbone interact. energy: -0.104
local terms energy: -104.976988
where:
bonds (distance) C4'-P energy: -20.113
bonds (distance) P-C4' energy: -20.050
flat angles C4'-P-C4' energy: -20.266
flat angles P-C4'-P energy: -14.818
tors. eta vs tors. theta energy: -29.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -308.235920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.235920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.235920 (E_RNA)
where:
Base-Base interactions energy: -209.424
where: short stacking energy: -89.938
Base-Backbone interact. energy: -0.815
local terms energy: -97.997120
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -21.553
flat angles C4'-P-C4' energy: -22.067
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -25.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -311.583222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.583222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.583222 (E_RNA)
where:
Base-Base interactions energy: -217.069
where: short stacking energy: -89.005
Base-Backbone interact. energy: -1.384
local terms energy: -93.130140
where:
bonds (distance) C4'-P energy: -18.829
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -18.642
flat angles P-C4'-P energy: -16.329
tors. eta vs tors. theta energy: -24.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -262.608598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.608598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.608598 (E_RNA)
where:
Base-Base interactions energy: -170.303
where: short stacking energy: -89.743
Base-Backbone interact. energy: -0.010
local terms energy: -92.295623
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -17.751
tors. eta vs tors. theta energy: -26.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -109.579539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.579539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.579539 (E_RNA)
where:
Base-Base interactions energy: -40.566
where: short stacking energy: -39.066
Base-Backbone interact. energy: 2.582
local terms energy: -71.595217
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -20.599
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -4.393
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: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -118.605289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.605289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.605289 (E_RNA)
where:
Base-Base interactions energy: -37.371
where: short stacking energy: -36.532
Base-Backbone interact. energy: -0.168
local terms energy: -81.066350
where:
bonds (distance) C4'-P energy: -19.893
bonds (distance) P-C4' energy: -23.226
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -9.784
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: 1
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -107.678228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.678228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.678228 (E_RNA)
where:
Base-Base interactions energy: -40.007
where: short stacking energy: -38.711
Base-Backbone interact. energy: -0.138
local terms energy: -67.533122
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -22.860
flat angles C4'-P-C4' energy: -18.950
flat angles P-C4'-P energy: -1.896
tors. eta vs tors. theta energy: -6.036
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: 5
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -400.114012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.114012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.114012 (E_RNA)
where:
Base-Base interactions energy: -276.869
where: short stacking energy: -118.904
Base-Backbone interact. energy: -0.009
local terms energy: -123.236375
where:
bonds (distance) C4'-P energy: -22.760
bonds (distance) P-C4' energy: -24.551
flat angles C4'-P-C4' energy: -23.287
flat angles P-C4'-P energy: -17.992
tors. eta vs tors. theta energy: -34.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -393.009333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.009333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.009333 (E_RNA)
where:
Base-Base interactions energy: -275.234
where: short stacking energy: -113.853
Base-Backbone interact. energy: -0.001
local terms energy: -117.775074
where:
bonds (distance) C4'-P energy: -24.229
bonds (distance) P-C4' energy: -22.337
flat angles C4'-P-C4' energy: -22.281
flat angles P-C4'-P energy: -14.802
tors. eta vs tors. theta energy: -34.126
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: 10
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -374.064975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.064975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.064975 (E_RNA)
where:
Base-Base interactions energy: -264.220
where: short stacking energy: -106.109
Base-Backbone interact. energy: -0.477
local terms energy: -109.367277
where:
bonds (distance) C4'-P energy: -22.038
bonds (distance) P-C4' energy: -23.282
flat angles C4'-P-C4' energy: -23.795
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -27.901
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: 4
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -282.619148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.619148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.619148 (E_RNA)
where:
Base-Base interactions energy: -190.985
where: short stacking energy: -85.001
Base-Backbone interact. energy: -0.048
local terms energy: -91.586517
where:
bonds (distance) C4'-P energy: -16.888
bonds (distance) P-C4' energy: -23.473
flat angles C4'-P-C4' energy: -18.296
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -23.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -335.763135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.763135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.763135 (E_RNA)
where:
Base-Base interactions energy: -220.893
where: short stacking energy: -96.775
Base-Backbone interact. energy: -0.215
local terms energy: -114.654663
where:
bonds (distance) C4'-P energy: -19.447
bonds (distance) P-C4' energy: -24.444
flat angles C4'-P-C4' energy: -25.571
flat angles P-C4'-P energy: -16.550
tors. eta vs tors. theta energy: -28.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -272.205952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.205952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.205952 (E_RNA)
where:
Base-Base interactions energy: -181.757
where: short stacking energy: -77.752
Base-Backbone interact. energy: -0.068
local terms energy: -90.381046
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -21.686
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -20.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -219.078466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.078466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.078466 (E_RNA)
where:
Base-Base interactions energy: -134.103
where: short stacking energy: -68.594
Base-Backbone interact. energy: -0.431
local terms energy: -84.545090
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -23.226
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -21.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -142.192985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.192985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.192985 (E_RNA)
where:
Base-Base interactions energy: -54.295
where: short stacking energy: -52.929
Base-Backbone interact. energy: -0.642
local terms energy: -87.255647
where:
bonds (distance) C4'-P energy: -21.446
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -13.560
tors. eta vs tors. theta energy: -13.047
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: 6
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -104.568757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.568757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.568757 (E_RNA)
where:
Base-Base interactions energy: -37.516
where: short stacking energy: -30.656
Base-Backbone interact. energy: -0.402
local terms energy: -66.651104
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -24.004
flat angles C4'-P-C4' energy: -18.364
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: 1.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -98.897907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.897907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.897907 (E_RNA)
where:
Base-Base interactions energy: -32.726
where: short stacking energy: -32.299
Base-Backbone interact. energy: -0.050
local terms energy: -66.121226
where:
bonds (distance) C4'-P energy: -20.556
bonds (distance) P-C4' energy: -20.017
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -0.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -396.752413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.752413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.752413 (E_RNA)
where:
Base-Base interactions energy: -279.995
where: short stacking energy: -115.327
Base-Backbone interact. energy: -0.259
local terms energy: -116.498277
where:
bonds (distance) C4'-P energy: -22.959
bonds (distance) P-C4' energy: -20.780
flat angles C4'-P-C4' energy: -24.196
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -34.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -386.023210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.023210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.023210 (E_RNA)
where:
Base-Base interactions energy: -272.413
where: short stacking energy: -113.964
Base-Backbone interact. energy: -0.008
local terms energy: -113.602418
where:
bonds (distance) C4'-P energy: -19.235
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -23.499
flat angles P-C4'-P energy: -20.330
tors. eta vs tors. theta energy: -31.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -375.078148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.078148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.078148 (E_RNA)
where:
Base-Base interactions energy: -262.392
where: short stacking energy: -116.549
Base-Backbone interact. energy: -0.000
local terms energy: -112.685686
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -22.479
flat angles C4'-P-C4' energy: -25.545
flat angles P-C4'-P energy: -16.674
tors. eta vs tors. theta energy: -31.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -365.379488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.379488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.379488 (E_RNA)
where:
Base-Base interactions energy: -243.823
where: short stacking energy: -108.822
Base-Backbone interact. energy: -1.053
local terms energy: -120.503862
where:
bonds (distance) C4'-P energy: -20.830
bonds (distance) P-C4' energy: -23.163
flat angles C4'-P-C4' energy: -23.937
flat angles P-C4'-P energy: -18.037
tors. eta vs tors. theta energy: -34.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -289.346179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.346179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.346179 (E_RNA)
where:
Base-Base interactions energy: -198.460
where: short stacking energy: -84.370
Base-Backbone interact. energy: -0.036
local terms energy: -90.849533
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -21.516
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -23.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -278.939875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.939875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.939875 (E_RNA)
where:
Base-Base interactions energy: -178.690
where: short stacking energy: -84.948
Base-Backbone interact. energy: -1.139
local terms energy: -99.110111
where:
bonds (distance) C4'-P energy: -22.971
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -19.621
flat angles P-C4'-P energy: -15.246
tors. eta vs tors. theta energy: -22.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -220.065031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.065031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.065031 (E_RNA)
where:
Base-Base interactions energy: -124.300
where: short stacking energy: -66.371
Base-Backbone interact. energy: -0.014
local terms energy: -95.750444
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -22.760
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -22.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -130.322905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.322905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.322905 (E_RNA)
where:
Base-Base interactions energy: -63.938
where: short stacking energy: -45.707
Base-Backbone interact. energy: -0.195
local terms energy: -66.189792
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -16.423
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -8.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -141.510863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.510863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.510863 (E_RNA)
where:
Base-Base interactions energy: -79.023
where: short stacking energy: -48.773
Base-Backbone interact. energy: -0.077
local terms energy: -62.410706
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -7.105
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: 1
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -115.595032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.595032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.595032 (E_RNA)
where:
Base-Base interactions energy: -33.320
where: short stacking energy: -32.505
Base-Backbone interact. energy: -0.021
local terms energy: -82.253559
where:
bonds (distance) C4'-P energy: -23.826
bonds (distance) P-C4' energy: -20.843
flat angles C4'-P-C4' energy: -21.180
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -3.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -389.828687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.828687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.828687 (E_RNA)
where:
Base-Base interactions energy: -274.803
where: short stacking energy: -112.575
Base-Backbone interact. energy: -0.239
local terms energy: -114.786319
where:
bonds (distance) C4'-P energy: -19.284
bonds (distance) P-C4' energy: -22.493
flat angles C4'-P-C4' energy: -24.950
flat angles P-C4'-P energy: -17.152
tors. eta vs tors. theta energy: -30.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -389.197511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.197511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.197511 (E_RNA)
where:
Base-Base interactions energy: -267.477
where: short stacking energy: -104.952
Base-Backbone interact. energy: -0.004
local terms energy: -121.717246
where:
bonds (distance) C4'-P energy: -22.871
bonds (distance) P-C4' energy: -25.258
flat angles C4'-P-C4' energy: -23.405
flat angles P-C4'-P energy: -16.515
tors. eta vs tors. theta energy: -33.668
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: 10
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -369.317555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.317555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.317555 (E_RNA)
where:
Base-Base interactions energy: -251.446
where: short stacking energy: -109.952
Base-Backbone interact. energy: -0.002
local terms energy: -117.869464
where:
bonds (distance) C4'-P energy: -24.469
bonds (distance) P-C4' energy: -18.137
flat angles C4'-P-C4' energy: -25.012
flat angles P-C4'-P energy: -16.827
tors. eta vs tors. theta energy: -33.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -354.243710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.243710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.243710 (E_RNA)
where:
Base-Base interactions energy: -247.780
where: short stacking energy: -108.104
Base-Backbone interact. energy: -0.491
local terms energy: -105.972489
where:
bonds (distance) C4'-P energy: -19.335
bonds (distance) P-C4' energy: -22.572
flat angles C4'-P-C4' energy: -19.395
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -36.136
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: 4
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -301.233759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.233759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.233759 (E_RNA)
where:
Base-Base interactions energy: -199.573
where: short stacking energy: -82.240
Base-Backbone interact. energy: -0.533
local terms energy: -101.127799
where:
bonds (distance) C4'-P energy: -18.931
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -20.596
flat angles P-C4'-P energy: -19.176
tors. eta vs tors. theta energy: -22.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -283.715883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.715883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.715883 (E_RNA)
where:
Base-Base interactions energy: -189.914
where: short stacking energy: -80.133
Base-Backbone interact. energy: -1.263
local terms energy: -92.538442
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -23.064
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -21.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -215.392231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.392231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.392231 (E_RNA)
where:
Base-Base interactions energy: -139.055
where: short stacking energy: -55.961
Base-Backbone interact. energy: -0.726
local terms energy: -75.611260
where:
bonds (distance) C4'-P energy: -16.995
bonds (distance) P-C4' energy: -19.642
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -11.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -137.332028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.332028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.332028 (E_RNA)
where:
Base-Base interactions energy: -68.479
where: short stacking energy: -49.433
Base-Backbone interact. energy: -1.138
local terms energy: -67.715205
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -20.155
flat angles P-C4'-P energy: -17.242
tors. eta vs tors. theta energy: -1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -101.692622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.692622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.692622 (E_RNA)
where:
Base-Base interactions energy: -26.343
where: short stacking energy: -22.461
Base-Backbone interact. energy: -0.211
local terms energy: -75.139340
where:
bonds (distance) C4'-P energy: -20.428
bonds (distance) P-C4' energy: -23.722
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -2.486
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: 10, replica: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -131.462866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.462866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.462866 (E_RNA)
where:
Base-Base interactions energy: -62.089
where: short stacking energy: -35.782
Base-Backbone interact. energy: 0.502
local terms energy: -69.875340
where:
bonds (distance) C4'-P energy: -19.636
bonds (distance) P-C4' energy: -18.037
flat angles C4'-P-C4' energy: -17.847
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -3.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -395.355637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.355637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.355637 (E_RNA)
where:
Base-Base interactions energy: -279.768
where: short stacking energy: -109.694
Base-Backbone interact. energy: -0.127
local terms energy: -115.460641
where:
bonds (distance) C4'-P energy: -21.111
bonds (distance) P-C4' energy: -23.719
flat angles C4'-P-C4' energy: -23.186
flat angles P-C4'-P energy: -13.394
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: 2, replica: 10
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -377.115009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.115009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.115009 (E_RNA)
where:
Base-Base interactions energy: -257.543
where: short stacking energy: -117.039
Base-Backbone interact. energy: -0.002
local terms energy: -119.569513
where:
bonds (distance) C4'-P energy: -23.277
bonds (distance) P-C4' energy: -19.720
flat angles C4'-P-C4' energy: -23.644
flat angles P-C4'-P energy: -18.702
tors. eta vs tors. theta energy: -34.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -385.235111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.235111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.235111 (E_RNA)
where:
Base-Base interactions energy: -268.771
where: short stacking energy: -112.915
Base-Backbone interact. energy: -0.006
local terms energy: -116.458034
where:
bonds (distance) C4'-P energy: -19.810
bonds (distance) P-C4' energy: -23.895
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -18.321
tors. eta vs tors. theta energy: -35.582
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: 2
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -353.353057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.353057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.353057 (E_RNA)
where:
Base-Base interactions energy: -244.353
where: short stacking energy: -103.983
Base-Backbone interact. energy: -0.001
local terms energy: -108.998742
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -21.286
flat angles C4'-P-C4' energy: -24.052
flat angles P-C4'-P energy: -16.000
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: 5, replica: 4
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -325.779287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.779287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.779287 (E_RNA)
where:
Base-Base interactions energy: -216.048
where: short stacking energy: -99.737
Base-Backbone interact. energy: -0.000
local terms energy: -109.731130
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -21.462
flat angles C4'-P-C4' energy: -22.441
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: -32.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -275.475109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.475109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.475109 (E_RNA)
where:
Base-Base interactions energy: -182.016
where: short stacking energy: -87.073
Base-Backbone interact. energy: -0.444
local terms energy: -93.015777
where:
bonds (distance) C4'-P energy: -17.683
bonds (distance) P-C4' energy: -22.548
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -25.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -242.067802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.067802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.067802 (E_RNA)
where:
Base-Base interactions energy: -150.048
where: short stacking energy: -74.771
Base-Backbone interact. energy: -0.787
local terms energy: -91.231846
where:
bonds (distance) C4'-P energy: -18.731
bonds (distance) P-C4' energy: -17.838
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -15.171
tors. eta vs tors. theta energy: -20.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -109.661213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.661213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.661213 (E_RNA)
where:
Base-Base interactions energy: -54.104
where: short stacking energy: -29.189
Base-Backbone interact. energy: 2.145
local terms energy: -57.702279
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -21.213
flat angles C4'-P-C4' energy: -11.089
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: 1.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -113.416494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.416494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.416494 (E_RNA)
where:
Base-Base interactions energy: -55.413
where: short stacking energy: -28.561
Base-Backbone interact. energy: -1.085
local terms energy: -56.918287
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -17.397
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -5.742
tors. eta vs tors. theta energy: -2.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -105.184364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.184364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.184364 (E_RNA)
where:
Base-Base interactions energy: -40.081
where: short stacking energy: -38.430
Base-Backbone interact. energy: -0.303
local terms energy: -64.800031
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: 1.215
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: 1, replica: 10
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -367.927060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.927060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.927060 (E_RNA)
where:
Base-Base interactions energy: -253.396
where: short stacking energy: -106.737
Base-Backbone interact. energy: -0.729
local terms energy: -113.802265
where:
bonds (distance) C4'-P energy: -24.229
bonds (distance) P-C4' energy: -20.299
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -17.156
tors. eta vs tors. theta energy: -30.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -389.345330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.345330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.345330 (E_RNA)
where:
Base-Base interactions energy: -283.055
where: short stacking energy: -115.772
Base-Backbone interact. energy: -0.006
local terms energy: -106.283811
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -20.713
flat angles C4'-P-C4' energy: -24.163
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: -32.260
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: 3, replica: 5
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -373.892113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.892113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.892113 (E_RNA)
where:
Base-Base interactions energy: -270.700
where: short stacking energy: -107.262
Base-Backbone interact. energy: -0.469
local terms energy: -102.723885
where:
bonds (distance) C4'-P energy: -18.204
bonds (distance) P-C4' energy: -19.690
flat angles C4'-P-C4' energy: -22.197
flat angles P-C4'-P energy: -12.702
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: 4, replica: 2
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -362.360589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.360589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.360589 (E_RNA)
where:
Base-Base interactions energy: -245.072
where: short stacking energy: -105.581
Base-Backbone interact. energy: -0.125
local terms energy: -117.163906
where:
bonds (distance) C4'-P energy: -22.308
bonds (distance) P-C4' energy: -18.725
flat angles C4'-P-C4' energy: -24.339
flat angles P-C4'-P energy: -17.580
tors. eta vs tors. theta energy: -34.211
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: 4
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -325.437897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.437897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.437897 (E_RNA)
where:
Base-Base interactions energy: -227.639
where: short stacking energy: -99.392
Base-Backbone interact. energy: 0.218
local terms energy: -98.016679
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -19.285
flat angles C4'-P-C4' energy: -19.144
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -30.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -276.487074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.487074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.487074 (E_RNA)
where:
Base-Base interactions energy: -179.725
where: short stacking energy: -76.460
Base-Backbone interact. energy: -0.434
local terms energy: -96.328280
where:
bonds (distance) C4'-P energy: -22.195
bonds (distance) P-C4' energy: -23.961
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -22.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -224.476220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.476220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.476220 (E_RNA)
where:
Base-Base interactions energy: -133.631
where: short stacking energy: -63.345
Base-Backbone interact. energy: -0.039
local terms energy: -90.806139
where:
bonds (distance) C4'-P energy: -17.406
bonds (distance) P-C4' energy: -20.222
flat angles C4'-P-C4' energy: -20.364
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -19.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -110.712030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.712030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.712030 (E_RNA)
where:
Base-Base interactions energy: -42.953
where: short stacking energy: -36.355
Base-Backbone interact. energy: -0.243
local terms energy: -67.516829
where:
bonds (distance) C4'-P energy: -21.069
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -2.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -96.521816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.521816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.521816 (E_RNA)
where:
Base-Base interactions energy: -29.310
where: short stacking energy: -24.289
Base-Backbone interact. energy: -0.118
local terms energy: -67.093799
where:
bonds (distance) C4'-P energy: -17.492
bonds (distance) P-C4' energy: -22.544
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -3.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -98.608032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.608032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.608032 (E_RNA)
where:
Base-Base interactions energy: -33.270
where: short stacking energy: -31.885
Base-Backbone interact. energy: -0.342
local terms energy: -64.996023
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -21.262
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -5.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -366.205881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.205881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.205881 (E_RNA)
where:
Base-Base interactions energy: -259.643
where: short stacking energy: -103.123
Base-Backbone interact. energy: -0.029
local terms energy: -106.532951
where:
bonds (distance) C4'-P energy: -19.046
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -24.251
flat angles P-C4'-P energy: -18.166
tors. eta vs tors. theta energy: -30.022
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: 2, replica: 9
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -390.121929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.121929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.121929 (E_RNA)
where:
Base-Base interactions energy: -276.129
where: short stacking energy: -111.119
Base-Backbone interact. energy: -0.002
local terms energy: -113.991206
where:
bonds (distance) C4'-P energy: -22.607
bonds (distance) P-C4' energy: -22.482
flat angles C4'-P-C4' energy: -23.150
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -32.010
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: 5
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -378.457922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.457922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.457922 (E_RNA)
where:
Base-Base interactions energy: -264.993
where: short stacking energy: -107.338
Base-Backbone interact. energy: -0.004
local terms energy: -113.460714
where:
bonds (distance) C4'-P energy: -20.243
bonds (distance) P-C4' energy: -20.166
flat angles C4'-P-C4' energy: -24.011
flat angles P-C4'-P energy: -17.616
tors. eta vs tors. theta energy: -31.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -356.474132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.474132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.474132 (E_RNA)
where:
Base-Base interactions energy: -244.627
where: short stacking energy: -99.958
Base-Backbone interact. energy: -0.247
local terms energy: -111.600616
where:
bonds (distance) C4'-P energy: -21.078
bonds (distance) P-C4' energy: -19.561
flat angles C4'-P-C4' energy: -21.635
flat angles P-C4'-P energy: -19.754
tors. eta vs tors. theta energy: -29.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -318.787525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.787525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.787525 (E_RNA)
where:
Base-Base interactions energy: -215.933
where: short stacking energy: -92.406
Base-Backbone interact. energy: -0.043
local terms energy: -102.811149
where:
bonds (distance) C4'-P energy: -21.541
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -20.997
flat angles P-C4'-P energy: -14.669
tors. eta vs tors. theta energy: -29.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -279.457081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.457081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.457081 (E_RNA)
where:
Base-Base interactions energy: -190.433
where: short stacking energy: -78.100
Base-Backbone interact. energy: 0.164
local terms energy: -89.188583
where:
bonds (distance) C4'-P energy: -19.160
bonds (distance) P-C4' energy: -18.006
flat angles C4'-P-C4' energy: -18.859
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -22.156
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: 8
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -259.849349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.849349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.849349 (E_RNA)
where:
Base-Base interactions energy: -159.887
where: short stacking energy: -79.466
Base-Backbone interact. energy: -0.405
local terms energy: -99.557361
where:
bonds (distance) C4'-P energy: -22.268
bonds (distance) P-C4' energy: -22.601
flat angles C4'-P-C4' energy: -21.706
flat angles P-C4'-P energy: -14.743
tors. eta vs tors. theta energy: -18.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -109.985379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.985379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.985379 (E_RNA)
where:
Base-Base interactions energy: -60.387
where: short stacking energy: -52.241
Base-Backbone interact. energy: -0.311
local terms energy: -49.287931
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -21.323
flat angles C4'-P-C4' energy: -7.082
flat angles P-C4'-P energy: -4.827
tors. eta vs tors. theta energy: -3.176
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: 7
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -103.548668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.548668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.548668 (E_RNA)
where:
Base-Base interactions energy: -38.195
where: short stacking energy: -28.602
Base-Backbone interact. energy: -0.149
local terms energy: -65.204765
where:
bonds (distance) C4'-P energy: -20.892
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -11.723
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: 6
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -107.165195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.165195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.165195 (E_RNA)
where:
Base-Base interactions energy: -42.395
where: short stacking energy: -25.688
Base-Backbone interact. energy: -0.002
local terms energy: -64.768553
where:
bonds (distance) C4'-P energy: -17.419
bonds (distance) P-C4' energy: -19.525
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: 1.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -387.767241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.767241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.767241 (E_RNA)
where:
Base-Base interactions energy: -271.082
where: short stacking energy: -109.386
Base-Backbone interact. energy: -0.201
local terms energy: -116.485072
where:
bonds (distance) C4'-P energy: -21.459
bonds (distance) P-C4' energy: -22.413
flat angles C4'-P-C4' energy: -22.869
flat angles P-C4'-P energy: -14.481
tors. eta vs tors. theta energy: -35.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -365.712864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.712864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.712864 (E_RNA)
where:
Base-Base interactions energy: -252.274
where: short stacking energy: -94.137
Base-Backbone interact. energy: -0.955
local terms energy: -112.484276
where:
bonds (distance) C4'-P energy: -20.970
bonds (distance) P-C4' energy: -22.047
flat angles C4'-P-C4' energy: -21.780
flat angles P-C4'-P energy: -20.233
tors. eta vs tors. theta energy: -27.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -381.385550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.385550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.385550 (E_RNA)
where:
Base-Base interactions energy: -266.550
where: short stacking energy: -103.437
Base-Backbone interact. energy: -0.447
local terms energy: -114.388560
where:
bonds (distance) C4'-P energy: -19.195
bonds (distance) P-C4' energy: -19.892
flat angles C4'-P-C4' energy: -25.562
flat angles P-C4'-P energy: -16.849
tors. eta vs tors. theta energy: -32.890
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: 2
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -368.132375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.132375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.132375 (E_RNA)
where:
Base-Base interactions energy: -253.666
where: short stacking energy: -115.912
Base-Backbone interact. energy: -0.010
local terms energy: -114.457073
where:
bonds (distance) C4'-P energy: -20.884
bonds (distance) P-C4' energy: -24.377
flat angles C4'-P-C4' energy: -20.475
flat angles P-C4'-P energy: -17.322
tors. eta vs tors. theta energy: -31.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -324.050072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.050072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.050072 (E_RNA)
where:
Base-Base interactions energy: -215.209
where: short stacking energy: -101.175
Base-Backbone interact. energy: -1.437
local terms energy: -107.403926
where:
bonds (distance) C4'-P energy: -20.991
bonds (distance) P-C4' energy: -20.421
flat angles C4'-P-C4' energy: -22.139
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -31.289
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: 4
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -305.400414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.400414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.400414 (E_RNA)
where:
Base-Base interactions energy: -214.046
where: short stacking energy: -84.459
Base-Backbone interact. energy: -0.304
local terms energy: -91.051057
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -24.359
flat angles C4'-P-C4' energy: -20.217
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -21.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -223.144684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.144684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.144684 (E_RNA)
where:
Base-Base interactions energy: -156.713
where: short stacking energy: -63.192
Base-Backbone interact. energy: 6.369
local terms energy: -72.799751
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -19.285
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -14.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -104.873843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.873843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.873843 (E_RNA)
where:
Base-Base interactions energy: -36.193
where: short stacking energy: -28.375
Base-Backbone interact. energy: 0.553
local terms energy: -69.234572
where:
bonds (distance) C4'-P energy: -19.807
bonds (distance) P-C4' energy: -18.551
flat angles C4'-P-C4' energy: -20.619
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: 1.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -97.493227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.493227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.493227 (E_RNA)
where:
Base-Base interactions energy: -30.451
where: short stacking energy: -18.655
Base-Backbone interact. energy: -0.879
local terms energy: -66.163340
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -24.864
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -0.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -109.050556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.050556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.050556 (E_RNA)
where:
Base-Base interactions energy: -52.503
where: short stacking energy: -29.131
Base-Backbone interact. energy: 0.647
local terms energy: -57.194016
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -23.250
flat angles C4'-P-C4' energy: -10.823
flat angles P-C4'-P energy: -8.376
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: 9
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -382.282585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.282585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.282585 (E_RNA)
where:
Base-Base interactions energy: -273.343
where: short stacking energy: -113.498
Base-Backbone interact. energy: -0.283
local terms energy: -108.657509
where:
bonds (distance) C4'-P energy: -18.966
bonds (distance) P-C4' energy: -21.801
flat angles C4'-P-C4' energy: -22.646
flat angles P-C4'-P energy: -14.607
tors. eta vs tors. theta energy: -30.638
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: 5
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -383.520705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.520705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.520705 (E_RNA)
where:
Base-Base interactions energy: -266.771
where: short stacking energy: -102.618
Base-Backbone interact. energy: -1.367
local terms energy: -115.382633
where:
bonds (distance) C4'-P energy: -19.311
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -24.540
flat angles P-C4'-P energy: -17.874
tors. eta vs tors. theta energy: -30.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -358.357048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.357048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.357048 (E_RNA)
where:
Base-Base interactions energy: -245.646
where: short stacking energy: -94.121
Base-Backbone interact. energy: -0.117
local terms energy: -112.594508
where:
bonds (distance) C4'-P energy: -21.513
bonds (distance) P-C4' energy: -23.027
flat angles C4'-P-C4' energy: -22.784
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -31.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -367.797635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.797635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.797635 (E_RNA)
where:
Base-Base interactions energy: -252.788
where: short stacking energy: -104.729
Base-Backbone interact. energy: -0.317
local terms energy: -114.693268
where:
bonds (distance) C4'-P energy: -20.888
bonds (distance) P-C4' energy: -23.599
flat angles C4'-P-C4' energy: -23.877
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -31.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -321.651224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.651224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.651224 (E_RNA)
where:
Base-Base interactions energy: -210.259
where: short stacking energy: -82.430
Base-Backbone interact. energy: -0.748
local terms energy: -110.643850
where:
bonds (distance) C4'-P energy: -20.152
bonds (distance) P-C4' energy: -24.213
flat angles C4'-P-C4' energy: -23.674
flat angles P-C4'-P energy: -14.548
tors. eta vs tors. theta energy: -28.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -303.763563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.763563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.763563 (E_RNA)
where:
Base-Base interactions energy: -210.343
where: short stacking energy: -83.583
Base-Backbone interact. energy: -0.565
local terms energy: -92.854919
where:
bonds (distance) C4'-P energy: -19.729
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -16.049
tors. eta vs tors. theta energy: -24.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -197.862645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.862645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.862645 (E_RNA)
where:
Base-Base interactions energy: -121.635
where: short stacking energy: -63.022
Base-Backbone interact. energy: 0.610
local terms energy: -76.837396
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -20.722
flat angles C4'-P-C4' energy: -20.324
flat angles P-C4'-P energy: -14.912
tors. eta vs tors. theta energy: -4.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -123.553353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.553353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.553353 (E_RNA)
where:
Base-Base interactions energy: -42.161
where: short stacking energy: -35.198
Base-Backbone interact. energy: 0.415
local terms energy: -81.806876
where:
bonds (distance) C4'-P energy: -22.590
bonds (distance) P-C4' energy: -24.980
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -15.980
tors. eta vs tors. theta energy: -1.763
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: 1
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -116.177046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.177046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.177046 (E_RNA)
where:
Base-Base interactions energy: -46.729
where: short stacking energy: -35.657
Base-Backbone interact. energy: -0.682
local terms energy: -68.766079
where:
bonds (distance) C4'-P energy: -17.020
bonds (distance) P-C4' energy: -20.501
flat angles C4'-P-C4' energy: -21.141
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -1.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -100.300175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.300175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.300175 (E_RNA)
where:
Base-Base interactions energy: -39.106
where: short stacking energy: -28.875
Base-Backbone interact. energy: -0.218
local terms energy: -60.976507
where:
bonds (distance) C4'-P energy: -19.766
bonds (distance) P-C4' energy: -20.460
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: -2.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -393.472292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.472292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.472292 (E_RNA)
where:
Base-Base interactions energy: -265.984
where: short stacking energy: -99.285
Base-Backbone interact. energy: -0.085
local terms energy: -127.403735
where:
bonds (distance) C4'-P energy: -24.365
bonds (distance) P-C4' energy: -24.803
flat angles C4'-P-C4' energy: -25.196
flat angles P-C4'-P energy: -18.635
tors. eta vs tors. theta energy: -34.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -383.320885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.320885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.320885 (E_RNA)
where:
Base-Base interactions energy: -270.552
where: short stacking energy: -107.004
Base-Backbone interact. energy: -0.729
local terms energy: -112.039664
where:
bonds (distance) C4'-P energy: -23.272
bonds (distance) P-C4' energy: -22.076
flat angles C4'-P-C4' energy: -21.973
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -32.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -372.433135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.433135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.433135 (E_RNA)
where:
Base-Base interactions energy: -256.239
where: short stacking energy: -108.704
Base-Backbone interact. energy: -0.008
local terms energy: -116.185921
where:
bonds (distance) C4'-P energy: -21.815
bonds (distance) P-C4' energy: -22.015
flat angles C4'-P-C4' energy: -23.072
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -35.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -354.101731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.101731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.101731 (E_RNA)
where:
Base-Base interactions energy: -245.546
where: short stacking energy: -100.679
Base-Backbone interact. energy: -0.178
local terms energy: -108.377207
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -24.592
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -33.751
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: 3
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -302.784053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.784053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.784053 (E_RNA)
where:
Base-Base interactions energy: -207.807
where: short stacking energy: -86.020
Base-Backbone interact. energy: -0.366
local terms energy: -94.610815
where:
bonds (distance) C4'-P energy: -21.645
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -15.928
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: 6, replica: 4
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -296.215193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.215193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.215193 (E_RNA)
where:
Base-Base interactions energy: -194.652
where: short stacking energy: -86.205
Base-Backbone interact. energy: -1.424
local terms energy: -100.138478
where:
bonds (distance) C4'-P energy: -18.250
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -22.919
flat angles P-C4'-P energy: -15.557
tors. eta vs tors. theta energy: -26.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -193.939329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.939329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.939329 (E_RNA)
where:
Base-Base interactions energy: -112.783
where: short stacking energy: -50.287
Base-Backbone interact. energy: -0.060
local terms energy: -81.096120
where:
bonds (distance) C4'-P energy: -18.817
bonds (distance) P-C4' energy: -20.800
flat angles C4'-P-C4' energy: -19.321
flat angles P-C4'-P energy: -13.517
tors. eta vs tors. theta energy: -8.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -121.263338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.263338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.263338 (E_RNA)
where:
Base-Base interactions energy: -45.112
where: short stacking energy: -43.576
Base-Backbone interact. energy: 0.468
local terms energy: -76.619208
where:
bonds (distance) C4'-P energy: -19.364
bonds (distance) P-C4' energy: -21.428
flat angles C4'-P-C4' energy: -18.416
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -7.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -110.352881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.352881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.352881 (E_RNA)
where:
Base-Base interactions energy: -46.800
where: short stacking energy: -34.090
Base-Backbone interact. energy: 0.471
local terms energy: -64.023505
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -21.200
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -3.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -113.388883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.388883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.388883 (E_RNA)
where:
Base-Base interactions energy: -45.700
where: short stacking energy: -26.100
Base-Backbone interact. energy: -0.931
local terms energy: -66.758336
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -19.153
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -3.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -389.304318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.304318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.304318 (E_RNA)
where:
Base-Base interactions energy: -275.110
where: short stacking energy: -113.895
Base-Backbone interact. energy: -0.099
local terms energy: -114.094937
where:
bonds (distance) C4'-P energy: -22.182
bonds (distance) P-C4' energy: -23.827
flat angles C4'-P-C4' energy: -21.942
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -34.373
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: 2
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -379.097674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.097674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.097674 (E_RNA)
where:
Base-Base interactions energy: -265.925
where: short stacking energy: -115.487
Base-Backbone interact. energy: -0.392
local terms energy: -112.780656
where:
bonds (distance) C4'-P energy: -18.734
bonds (distance) P-C4' energy: -20.721
flat angles C4'-P-C4' energy: -20.762
flat angles P-C4'-P energy: -17.749
tors. eta vs tors. theta energy: -34.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -377.672558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.672558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.672558 (E_RNA)
where:
Base-Base interactions energy: -271.551
where: short stacking energy: -107.993
Base-Backbone interact. energy: -0.101
local terms energy: -106.020297
where:
bonds (distance) C4'-P energy: -17.004
bonds (distance) P-C4' energy: -22.628
flat angles C4'-P-C4' energy: -21.857
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -31.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -319.062300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.062300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.062300 (E_RNA)
where:
Base-Base interactions energy: -208.296
where: short stacking energy: -93.640
Base-Backbone interact. energy: -1.999
local terms energy: -108.767455
where:
bonds (distance) C4'-P energy: -21.654
bonds (distance) P-C4' energy: -20.379
flat angles C4'-P-C4' energy: -21.074
flat angles P-C4'-P energy: -14.972
tors. eta vs tors. theta energy: -30.689
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: 5, replica: 10
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -345.395721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.395721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.395721 (E_RNA)
where:
Base-Base interactions energy: -243.364
where: short stacking energy: -96.647
Base-Backbone interact. energy: -0.886
local terms energy: -101.145735
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -22.771
flat angles C4'-P-C4' energy: -19.152
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -30.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -304.830110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.830110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.830110 (E_RNA)
where:
Base-Base interactions energy: -205.104
where: short stacking energy: -80.519
Base-Backbone interact. energy: -0.688
local terms energy: -99.038681
where:
bonds (distance) C4'-P energy: -20.093
bonds (distance) P-C4' energy: -24.518
flat angles C4'-P-C4' energy: -19.579
flat angles P-C4'-P energy: -11.265
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: 7, replica: 8
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -221.266024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.266024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.266024 (E_RNA)
where:
Base-Base interactions energy: -134.270
where: short stacking energy: -55.928
Base-Backbone interact. energy: -0.558
local terms energy: -86.438068
where:
bonds (distance) C4'-P energy: -17.225
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -18.193
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -17.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -117.251827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.251827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.251827 (E_RNA)
where:
Base-Base interactions energy: -47.139
where: short stacking energy: -32.192
Base-Backbone interact. energy: -0.042
local terms energy: -70.070637
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -19.869
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -5.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -117.133257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.133257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.133257 (E_RNA)
where:
Base-Base interactions energy: -52.651
where: short stacking energy: -32.931
Base-Backbone interact. energy: 0.019
local terms energy: -64.501726
where:
bonds (distance) C4'-P energy: -18.909
bonds (distance) P-C4' energy: -20.947
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: 0.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -108.111936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.111936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.111936 (E_RNA)
where:
Base-Base interactions energy: -39.296
where: short stacking energy: -37.048
Base-Backbone interact. energy: -0.097
local terms energy: -68.718755
where:
bonds (distance) C4'-P energy: -19.251
bonds (distance) P-C4' energy: -20.425
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -0.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -392.099090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.099090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.099090 (E_RNA)
where:
Base-Base interactions energy: -276.864
where: short stacking energy: -104.810
Base-Backbone interact. energy: -0.097
local terms energy: -115.138201
where:
bonds (distance) C4'-P energy: -21.815
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -21.816
flat angles P-C4'-P energy: -18.787
tors. eta vs tors. theta energy: -30.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -381.654338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.654338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.654338 (E_RNA)
where:
Base-Base interactions energy: -261.422
where: short stacking energy: -115.506
Base-Backbone interact. energy: -0.123
local terms energy: -120.110114
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -24.648
flat angles C4'-P-C4' energy: -22.764
flat angles P-C4'-P energy: -19.823
tors. eta vs tors. theta energy: -35.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -371.675336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.675336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.675336 (E_RNA)
where:
Base-Base interactions energy: -267.809
where: short stacking energy: -98.402
Base-Backbone interact. energy: -0.359
local terms energy: -103.507507
where:
bonds (distance) C4'-P energy: -20.014
bonds (distance) P-C4' energy: -18.948
flat angles C4'-P-C4' energy: -20.709
flat angles P-C4'-P energy: -18.688
tors. eta vs tors. theta energy: -25.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -325.672259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.672259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.672259 (E_RNA)
where:
Base-Base interactions energy: -222.473
where: short stacking energy: -97.334
Base-Backbone interact. energy: -1.045
local terms energy: -102.154488
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -23.005
flat angles P-C4'-P energy: -18.344
tors. eta vs tors. theta energy: -31.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -302.882797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.882797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.882797 (E_RNA)
where:
Base-Base interactions energy: -200.736
where: short stacking energy: -89.544
Base-Backbone interact. energy: -0.583
local terms energy: -101.564274
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -25.000
flat angles C4'-P-C4' energy: -21.036
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -26.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -332.893336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.893336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.893336 (E_RNA)
where:
Base-Base interactions energy: -230.087
where: short stacking energy: -94.462
Base-Backbone interact. energy: -0.048
local terms energy: -102.758259
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -23.726
flat angles C4'-P-C4' energy: -20.589
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -29.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -232.476289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.476289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.476289 (E_RNA)
where:
Base-Base interactions energy: -142.577
where: short stacking energy: -64.416
Base-Backbone interact. energy: -0.934
local terms energy: -88.965263
where:
bonds (distance) C4'-P energy: -18.134
bonds (distance) P-C4' energy: -24.240
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -19.012
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: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -112.405361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.405361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.405361 (E_RNA)
where:
Base-Base interactions energy: -43.671
where: short stacking energy: -38.109
Base-Backbone interact. energy: -0.139
local terms energy: -68.596130
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -22.179
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -4.599
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: 7
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -123.756113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.756113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.756113 (E_RNA)
where:
Base-Base interactions energy: -48.610
where: short stacking energy: -47.147
Base-Backbone interact. energy: -0.168
local terms energy: -74.978230
where:
bonds (distance) C4'-P energy: -23.919
bonds (distance) P-C4' energy: -19.368
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: -4.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -107.300018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.300018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.300018 (E_RNA)
where:
Base-Base interactions energy: -38.914
where: short stacking energy: -30.358
Base-Backbone interact. energy: -0.672
local terms energy: -67.713833
where:
bonds (distance) C4'-P energy: -18.179
bonds (distance) P-C4' energy: -20.560
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: 0.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -393.334841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.334841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.334841 (E_RNA)
where:
Base-Base interactions energy: -277.440
where: short stacking energy: -110.423
Base-Backbone interact. energy: -0.104
local terms energy: -115.791208
where:
bonds (distance) C4'-P energy: -21.912
bonds (distance) P-C4' energy: -19.170
flat angles C4'-P-C4' energy: -26.420
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -35.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -371.620649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.620649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.620649 (E_RNA)
where:
Base-Base interactions energy: -255.555
where: short stacking energy: -111.084
Base-Backbone interact. energy: -0.008
local terms energy: -116.057658
where:
bonds (distance) C4'-P energy: -20.106
bonds (distance) P-C4' energy: -23.390
flat angles C4'-P-C4' energy: -25.406
flat angles P-C4'-P energy: -14.031
tors. eta vs tors. theta energy: -33.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -378.730173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.730173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.730173 (E_RNA)
where:
Base-Base interactions energy: -269.897
where: short stacking energy: -111.163
Base-Backbone interact. energy: -0.190
local terms energy: -108.643136
where:
bonds (distance) C4'-P energy: -20.631
bonds (distance) P-C4' energy: -20.833
flat angles C4'-P-C4' energy: -23.182
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: -30.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -312.224740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.224740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.224740 (E_RNA)
where:
Base-Base interactions energy: -202.358
where: short stacking energy: -81.700
Base-Backbone interact. energy: -0.002
local terms energy: -109.864383
where:
bonds (distance) C4'-P energy: -20.043
bonds (distance) P-C4' energy: -22.347
flat angles C4'-P-C4' energy: -20.218
flat angles P-C4'-P energy: -17.754
tors. eta vs tors. theta energy: -29.503
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: 3
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -307.791526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.791526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.791526 (E_RNA)
where:
Base-Base interactions energy: -207.659
where: short stacking energy: -80.351
Base-Backbone interact. energy: -0.303
local terms energy: -99.829146
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -23.154
flat angles C4'-P-C4' energy: -21.063
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -24.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -238.981015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.981015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.981015 (E_RNA)
where:
Base-Base interactions energy: -158.706
where: short stacking energy: -62.401
Base-Backbone interact. energy: -0.052
local terms energy: -80.223016
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -23.440
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -14.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -301.313340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.313340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.313340 (E_RNA)
where:
Base-Base interactions energy: -208.328
where: short stacking energy: -94.754
Base-Backbone interact. energy: -0.327
local terms energy: -92.658552
where:
bonds (distance) C4'-P energy: -19.307
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -21.278
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -23.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -103.667460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.667460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.667460 (E_RNA)
where:
Base-Base interactions energy: -33.542
where: short stacking energy: -30.237
Base-Backbone interact. energy: -0.804
local terms energy: -69.321587
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -20.992
flat angles C4'-P-C4' energy: -18.276
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -0.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -102.945896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.945896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.945896 (E_RNA)
where:
Base-Base interactions energy: -31.077
where: short stacking energy: -31.077
Base-Backbone interact. energy: -0.292
local terms energy: -71.576829
where:
bonds (distance) C4'-P energy: -24.486
bonds (distance) P-C4' energy: -23.539
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -0.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -96.235107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.235107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.235107 (E_RNA)
where:
Base-Base interactions energy: -33.466
where: short stacking energy: -26.370
Base-Backbone interact. energy: -0.203
local terms energy: -62.566002
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -0.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -394.458103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.458103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.458103 (E_RNA)
where:
Base-Base interactions energy: -280.376
where: short stacking energy: -113.714
Base-Backbone interact. energy: -0.116
local terms energy: -113.965280
where:
bonds (distance) C4'-P energy: -20.910
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -23.559
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -35.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -371.796573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.796573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.796573 (E_RNA)
where:
Base-Base interactions energy: -258.932
where: short stacking energy: -110.271
Base-Backbone interact. energy: -0.318
local terms energy: -112.546773
where:
bonds (distance) C4'-P energy: -21.592
bonds (distance) P-C4' energy: -20.756
flat angles C4'-P-C4' energy: -22.511
flat angles P-C4'-P energy: -14.773
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: 3, replica: 9
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -371.704112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.704112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.704112 (E_RNA)
where:
Base-Base interactions energy: -258.882
where: short stacking energy: -108.859
Base-Backbone interact. energy: -0.017
local terms energy: -112.804901
where:
bonds (distance) C4'-P energy: -23.674
bonds (distance) P-C4' energy: -21.799
flat angles C4'-P-C4' energy: -22.665
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -31.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -337.515914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.515914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.515914 (E_RNA)
where:
Base-Base interactions energy: -234.843
where: short stacking energy: -104.347
Base-Backbone interact. energy: -0.037
local terms energy: -102.636122
where:
bonds (distance) C4'-P energy: -19.636
bonds (distance) P-C4' energy: -20.357
flat angles C4'-P-C4' energy: -19.135
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -33.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -292.222240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.222240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.222240 (E_RNA)
where:
Base-Base interactions energy: -185.411
where: short stacking energy: -85.589
Base-Backbone interact. energy: 0.170
local terms energy: -106.980627
where:
bonds (distance) C4'-P energy: -24.386
bonds (distance) P-C4' energy: -21.361
flat angles C4'-P-C4' energy: -19.887
flat angles P-C4'-P energy: -11.754
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: 6, replica: 8
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -252.905955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.905955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.905955 (E_RNA)
where:
Base-Base interactions energy: -164.873
where: short stacking energy: -70.473
Base-Backbone interact. energy: -0.435
local terms energy: -87.597322
where:
bonds (distance) C4'-P energy: -18.686
bonds (distance) P-C4' energy: -21.226
flat angles C4'-P-C4' energy: -21.708
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -14.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -297.551548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.551548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.551548 (E_RNA)
where:
Base-Base interactions energy: -200.612
where: short stacking energy: -85.452
Base-Backbone interact. energy: -0.627
local terms energy: -96.312743
where:
bonds (distance) C4'-P energy: -21.479
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -20.915
flat angles P-C4'-P energy: -14.897
tors. eta vs tors. theta energy: -19.995
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: 8, replica: 7
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -112.061387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.061387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.061387 (E_RNA)
where:
Base-Base interactions energy: -43.872
where: short stacking energy: -37.224
Base-Backbone interact. energy: -0.158
local terms energy: -68.031827
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -21.984
flat angles C4'-P-C4' energy: -22.693
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -2.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -117.957364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.957364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.957364 (E_RNA)
where:
Base-Base interactions energy: -38.457
where: short stacking energy: -29.257
Base-Backbone interact. energy: -0.494
local terms energy: -79.005844
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -23.814
flat angles C4'-P-C4' energy: -18.536
flat angles P-C4'-P energy: -16.421
tors. eta vs tors. theta energy: -4.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -118.049975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.049975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.049975 (E_RNA)
where:
Base-Base interactions energy: -61.851
where: short stacking energy: -28.850
Base-Backbone interact. energy: 0.582
local terms energy: -56.781159
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -19.408
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: 3.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -384.881177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.881177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.881177 (E_RNA)
where:
Base-Base interactions energy: -272.264
where: short stacking energy: -107.510
Base-Backbone interact. energy: -0.126
local terms energy: -112.490692
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -20.890
flat angles C4'-P-C4' energy: -23.273
flat angles P-C4'-P energy: -16.504
tors. eta vs tors. theta energy: -31.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -389.856539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.856539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.856539 (E_RNA)
where:
Base-Base interactions energy: -269.658
where: short stacking energy: -112.227
Base-Backbone interact. energy: -0.062
local terms energy: -120.135699
where:
bonds (distance) C4'-P energy: -21.231
bonds (distance) P-C4' energy: -23.320
flat angles C4'-P-C4' energy: -24.576
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -34.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -372.410851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.410851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.410851 (E_RNA)
where:
Base-Base interactions energy: -262.699
where: short stacking energy: -118.430
Base-Backbone interact. energy: -0.878
local terms energy: -108.833355
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -18.941
flat angles C4'-P-C4' energy: -21.483
flat angles P-C4'-P energy: -16.626
tors. eta vs tors. theta energy: -34.063
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: 3
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -290.360874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.360874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.360874 (E_RNA)
where:
Base-Base interactions energy: -189.315
where: short stacking energy: -82.938
Base-Backbone interact. energy: -0.176
local terms energy: -100.870089
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -22.523
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -26.344
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: 4
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -317.245840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.245840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.245840 (E_RNA)
where:
Base-Base interactions energy: -206.649
where: short stacking energy: -89.644
Base-Backbone interact. energy: -0.148
local terms energy: -110.448600
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -23.447
flat angles C4'-P-C4' energy: -22.837
flat angles P-C4'-P energy: -16.722
tors. eta vs tors. theta energy: -30.839
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: 10
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -335.466987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.466987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.466987 (E_RNA)
where:
Base-Base interactions energy: -227.560
where: short stacking energy: -96.387
Base-Backbone interact. energy: -0.112
local terms energy: -107.794601
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -25.333
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -18.305
tors. eta vs tors. theta energy: -29.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -254.755538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.755538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.755538 (E_RNA)
where:
Base-Base interactions energy: -179.604
where: short stacking energy: -78.638
Base-Backbone interact. energy: -0.079
local terms energy: -75.072296
where:
bonds (distance) C4'-P energy: -10.132
bonds (distance) P-C4' energy: -20.477
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -15.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -134.808316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.808316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.808316 (E_RNA)
where:
Base-Base interactions energy: -63.363
where: short stacking energy: -41.280
Base-Backbone interact. energy: -0.045
local terms energy: -71.399838
where:
bonds (distance) C4'-P energy: -18.268
bonds (distance) P-C4' energy: -24.297
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -6.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -112.950083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.950083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.950083 (E_RNA)
where:
Base-Base interactions energy: -43.789
where: short stacking energy: -33.931
Base-Backbone interact. energy: -0.077
local terms energy: -69.084628
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -21.753
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -0.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -110.859591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.859591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.859591 (E_RNA)
where:
Base-Base interactions energy: -40.537
where: short stacking energy: -40.537
Base-Backbone interact. energy: -0.440
local terms energy: -69.882073
where:
bonds (distance) C4'-P energy: -23.330
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -1.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -394.735515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.735515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.735515 (E_RNA)
where:
Base-Base interactions energy: -278.449
where: short stacking energy: -109.079
Base-Backbone interact. energy: -0.001
local terms energy: -116.285833
where:
bonds (distance) C4'-P energy: -18.184
bonds (distance) P-C4' energy: -21.219
flat angles C4'-P-C4' energy: -25.253
flat angles P-C4'-P energy: -17.989
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: 2, replica: 5
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -390.410293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.410293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.410293 (E_RNA)
where:
Base-Base interactions energy: -273.867
where: short stacking energy: -103.933
Base-Backbone interact. energy: -0.997
local terms energy: -115.545982
where:
bonds (distance) C4'-P energy: -18.862
bonds (distance) P-C4' energy: -24.828
flat angles C4'-P-C4' energy: -22.566
flat angles P-C4'-P energy: -14.392
tors. eta vs tors. theta energy: -34.898
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: 3, replica: 2
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -361.965632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.965632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.965632 (E_RNA)
where:
Base-Base interactions energy: -247.238
where: short stacking energy: -111.694
Base-Backbone interact. energy: -0.021
local terms energy: -114.707202
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -23.490
flat angles P-C4'-P energy: -16.906
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: 4, replica: 3
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -319.635789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.635789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.635789 (E_RNA)
where:
Base-Base interactions energy: -222.102
where: short stacking energy: -98.967
Base-Backbone interact. energy: -0.006
local terms energy: -97.527431
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -22.136
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -14.631
tors. eta vs tors. theta energy: -28.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -350.367685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.367685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.367685 (E_RNA)
where:
Base-Base interactions energy: -239.693
where: short stacking energy: -97.753
Base-Backbone interact. energy: -0.446
local terms energy: -110.228414
where:
bonds (distance) C4'-P energy: -18.263
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -25.765
flat angles P-C4'-P energy: -15.917
tors. eta vs tors. theta energy: -31.239
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: 4
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -290.068266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.068266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.068266 (E_RNA)
where:
Base-Base interactions energy: -197.035
where: short stacking energy: -84.858
Base-Backbone interact. energy: 1.169
local terms energy: -94.202644
where:
bonds (distance) C4'-P energy: -21.386
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -21.509
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -23.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -242.986294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.986294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.986294 (E_RNA)
where:
Base-Base interactions energy: -168.223
where: short stacking energy: -66.456
Base-Backbone interact. energy: -0.318
local terms energy: -74.445207
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -12.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -159.281664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.281664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.281664 (E_RNA)
where:
Base-Base interactions energy: -76.835
where: short stacking energy: -52.684
Base-Backbone interact. energy: -0.222
local terms energy: -82.224926
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -21.570
flat angles C4'-P-C4' energy: -19.768
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -7.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -122.066098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.066098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.066098 (E_RNA)
where:
Base-Base interactions energy: -42.209
where: short stacking energy: -31.376
Base-Backbone interact. energy: -0.082
local terms energy: -79.774609
where:
bonds (distance) C4'-P energy: -21.782
bonds (distance) P-C4' energy: -18.854
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -7.481
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: 10, replica: 6
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -105.362784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.362784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.362784 (E_RNA)
where:
Base-Base interactions energy: -34.519
where: short stacking energy: -34.519
Base-Backbone interact. energy: -0.149
local terms energy: -70.694383
where:
bonds (distance) C4'-P energy: -21.953
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -6.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -395.394190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.394190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.394190 (E_RNA)
where:
Base-Base interactions energy: -272.601
where: short stacking energy: -113.349
Base-Backbone interact. energy: 0.201
local terms energy: -122.993899
where:
bonds (distance) C4'-P energy: -22.438
bonds (distance) P-C4' energy: -25.068
flat angles C4'-P-C4' energy: -23.257
flat angles P-C4'-P energy: -20.128
tors. eta vs tors. theta energy: -32.102
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: 2, replica: 5
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -384.371986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.371986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.371986 (E_RNA)
where:
Base-Base interactions energy: -270.857
where: short stacking energy: -113.905
Base-Backbone interact. energy: -0.279
local terms energy: -113.236483
where:
bonds (distance) C4'-P energy: -18.912
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -26.029
flat angles P-C4'-P energy: -15.641
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: 3, replica: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -372.751512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.751512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.751512 (E_RNA)
where:
Base-Base interactions energy: -251.201
where: short stacking energy: -111.011
Base-Backbone interact. energy: -0.001
local terms energy: -121.550325
where:
bonds (distance) C4'-P energy: -22.340
bonds (distance) P-C4' energy: -22.350
flat angles C4'-P-C4' energy: -22.925
flat angles P-C4'-P energy: -18.412
tors. eta vs tors. theta energy: -35.523
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: 10
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -362.281302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.281302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.281302 (E_RNA)
where:
Base-Base interactions energy: -262.093
where: short stacking energy: -104.919
Base-Backbone interact. energy: 3.731
local terms energy: -103.919445
where:
bonds (distance) C4'-P energy: -23.645
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -23.402
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -29.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -312.593642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.593642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.593642 (E_RNA)
where:
Base-Base interactions energy: -222.852
where: short stacking energy: -103.287
Base-Backbone interact. energy: -0.158
local terms energy: -89.583355
where:
bonds (distance) C4'-P energy: -18.763
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -30.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -286.713643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.713643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.713643 (E_RNA)
where:
Base-Base interactions energy: -187.327
where: short stacking energy: -76.880
Base-Backbone interact. energy: -1.030
local terms energy: -98.356489
where:
bonds (distance) C4'-P energy: -18.888
bonds (distance) P-C4' energy: -20.077
flat angles C4'-P-C4' energy: -23.796
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -24.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -236.657464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.657464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.657464 (E_RNA)
where:
Base-Base interactions energy: -156.645
where: short stacking energy: -78.185
Base-Backbone interact. energy: -0.187
local terms energy: -79.825290
where:
bonds (distance) C4'-P energy: -17.725
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -19.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -147.639630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.639630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.639630 (E_RNA)
where:
Base-Base interactions energy: -76.549
where: short stacking energy: -54.248
Base-Backbone interact. energy: -0.029
local terms energy: -71.062040
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -22.229
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -9.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -111.560000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.560000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.560000 (E_RNA)
where:
Base-Base interactions energy: -48.048
where: short stacking energy: -29.815
Base-Backbone interact. energy: 1.223
local terms energy: -64.734708
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -13.715
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: 6
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -104.004741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.004741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.004741 (E_RNA)
where:
Base-Base interactions energy: -39.136
where: short stacking energy: -39.136
Base-Backbone interact. energy: -0.061
local terms energy: -64.807919
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -23.138
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -4.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -392.055472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.055472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.055472 (E_RNA)
where:
Base-Base interactions energy: -284.342
where: short stacking energy: -114.425
Base-Backbone interact. energy: -0.026
local terms energy: -107.687742
where:
bonds (distance) C4'-P energy: -18.249
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -25.250
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -33.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -393.423330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.423330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.423330 (E_RNA)
where:
Base-Base interactions energy: -275.964
where: short stacking energy: -110.455
Base-Backbone interact. energy: -0.101
local terms energy: -117.357457
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -25.277
flat angles C4'-P-C4' energy: -23.758
flat angles P-C4'-P energy: -17.190
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: 3, replica: 10
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -367.713432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.713432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.713432 (E_RNA)
where:
Base-Base interactions energy: -260.474
where: short stacking energy: -113.480
Base-Backbone interact. energy: -0.125
local terms energy: -107.114543
where:
bonds (distance) C4'-P energy: -21.293
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -21.205
flat angles P-C4'-P energy: -12.172
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: 4, replica: 2
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -340.290307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.290307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.290307 (E_RNA)
where:
Base-Base interactions energy: -231.897
where: short stacking energy: -97.334
Base-Backbone interact. energy: 3.000
local terms energy: -111.393897
where:
bonds (distance) C4'-P energy: -22.208
bonds (distance) P-C4' energy: -19.795
flat angles C4'-P-C4' energy: -22.781
flat angles P-C4'-P energy: -16.509
tors. eta vs tors. theta energy: -30.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -296.686444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.686444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.686444 (E_RNA)
where:
Base-Base interactions energy: -199.316
where: short stacking energy: -93.479
Base-Backbone interact. energy: -0.164
local terms energy: -97.206546
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -21.801
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -28.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -308.065964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.065964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.065964 (E_RNA)
where:
Base-Base interactions energy: -221.780
where: short stacking energy: -95.840
Base-Backbone interact. energy: -0.330
local terms energy: -85.956636
where:
bonds (distance) C4'-P energy: -5.406
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -22.865
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -29.273
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: 8
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -219.235026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.235026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.235026 (E_RNA)
where:
Base-Base interactions energy: -129.769
where: short stacking energy: -60.553
Base-Backbone interact. energy: -0.422
local terms energy: -89.044475
where:
bonds (distance) C4'-P energy: -20.253
bonds (distance) P-C4' energy: -18.485
flat angles C4'-P-C4' energy: -21.440
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -16.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -118.994897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.994897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.994897 (E_RNA)
where:
Base-Base interactions energy: -53.212
where: short stacking energy: -37.717
Base-Backbone interact. energy: 1.011
local terms energy: -66.793318
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -24.790
flat angles C4'-P-C4' energy: -9.776
flat angles P-C4'-P energy: -16.668
tors. eta vs tors. theta energy: -0.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -107.596994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.596994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.596994 (E_RNA)
where:
Base-Base interactions energy: -43.303
where: short stacking energy: -42.857
Base-Backbone interact. energy: -0.228
local terms energy: -64.066127
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -21.099
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -4.298
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: 1
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -110.810586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.810586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.810586 (E_RNA)
where:
Base-Base interactions energy: -36.752
where: short stacking energy: -36.752
Base-Backbone interact. energy: -0.219
local terms energy: -73.839325
where:
bonds (distance) C4'-P energy: -22.365
bonds (distance) P-C4' energy: -20.608
flat angles C4'-P-C4' energy: -20.130
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -1.639
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: 9
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -380.061736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.061736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.061736 (E_RNA)
where:
Base-Base interactions energy: -269.577
where: short stacking energy: -106.940
Base-Backbone interact. energy: -0.010
local terms energy: -110.474430
where:
bonds (distance) C4'-P energy: -20.908
bonds (distance) P-C4' energy: -22.538
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -16.350
tors. eta vs tors. theta energy: -32.913
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: 2, replica: 10
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -375.344841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.344841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.344841 (E_RNA)
where:
Base-Base interactions energy: -262.878
where: short stacking energy: -110.006
Base-Backbone interact. energy: -0.007
local terms energy: -112.460147
where:
bonds (distance) C4'-P energy: -22.480
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -23.185
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -31.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -380.008158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.008158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.008158 (E_RNA)
where:
Base-Base interactions energy: -267.809
where: short stacking energy: -112.762
Base-Backbone interact. energy: -0.274
local terms energy: -111.925964
where:
bonds (distance) C4'-P energy: -21.430
bonds (distance) P-C4' energy: -21.090
flat angles C4'-P-C4' energy: -25.740
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -30.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -335.501031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.501031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.501031 (E_RNA)
where:
Base-Base interactions energy: -227.085
where: short stacking energy: -102.110
Base-Backbone interact. energy: -0.021
local terms energy: -108.394619
where:
bonds (distance) C4'-P energy: -21.054
bonds (distance) P-C4' energy: -23.062
flat angles C4'-P-C4' energy: -20.054
flat angles P-C4'-P energy: -15.535
tors. eta vs tors. theta energy: -28.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -306.935318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.935318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.935318 (E_RNA)
where:
Base-Base interactions energy: -207.141
where: short stacking energy: -86.754
Base-Backbone interact. energy: -0.178
local terms energy: -99.616456
where:
bonds (distance) C4'-P energy: -17.798
bonds (distance) P-C4' energy: -22.974
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -16.205
tors. eta vs tors. theta energy: -25.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -223.668315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.668315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.668315 (E_RNA)
where:
Base-Base interactions energy: -129.174
where: short stacking energy: -63.407
Base-Backbone interact. energy: -0.145
local terms energy: -94.349344
where:
bonds (distance) C4'-P energy: -19.115
bonds (distance) P-C4' energy: -24.801
flat angles C4'-P-C4' energy: -22.788
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -13.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -283.225151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.225151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.225151 (E_RNA)
where:
Base-Base interactions energy: -185.182
where: short stacking energy: -83.201
Base-Backbone interact. energy: 0.083
local terms energy: -98.125947
where:
bonds (distance) C4'-P energy: -22.705
bonds (distance) P-C4' energy: -17.024
flat angles C4'-P-C4' energy: -20.787
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -24.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -117.727458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.727458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.727458 (E_RNA)
where:
Base-Base interactions energy: -46.214
where: short stacking energy: -41.993
Base-Backbone interact. energy: -0.114
local terms energy: -71.399327
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -20.220
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -7.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -113.396821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.396821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.396821 (E_RNA)
where:
Base-Base interactions energy: -45.638
where: short stacking energy: -30.053
Base-Backbone interact. energy: -0.283
local terms energy: -67.475641
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -22.541
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -1.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -97.464286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.464286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.464286 (E_RNA)
where:
Base-Base interactions energy: -26.428
where: short stacking energy: -22.643
Base-Backbone interact. energy: 0.977
local terms energy: -72.013067
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -22.817
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -5.732
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: 9
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -393.150263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.150263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.150263 (E_RNA)
where:
Base-Base interactions energy: -270.720
where: short stacking energy: -108.354
Base-Backbone interact. energy: -0.387
local terms energy: -122.042857
where:
bonds (distance) C4'-P energy: -20.776
bonds (distance) P-C4' energy: -24.370
flat angles C4'-P-C4' energy: -26.067
flat angles P-C4'-P energy: -16.098
tors. eta vs tors. theta energy: -34.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -372.293500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.293500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.293500 (E_RNA)
where:
Base-Base interactions energy: -252.466
where: short stacking energy: -117.809
Base-Backbone interact. energy: -0.741
local terms energy: -119.086511
where:
bonds (distance) C4'-P energy: -18.096
bonds (distance) P-C4' energy: -21.914
flat angles C4'-P-C4' energy: -24.425
flat angles P-C4'-P energy: -19.687
tors. eta vs tors. theta energy: -34.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -379.784626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.784626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.784626 (E_RNA)
where:
Base-Base interactions energy: -277.906
where: short stacking energy: -111.651
Base-Backbone interact. energy: -0.035
local terms energy: -101.844110
where:
bonds (distance) C4'-P energy: -19.317
bonds (distance) P-C4' energy: -22.107
flat angles C4'-P-C4' energy: -20.651
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -31.358
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: 2
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -352.348761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.348761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.348761 (E_RNA)
where:
Base-Base interactions energy: -238.908
where: short stacking energy: -105.479
Base-Backbone interact. energy: -0.010
local terms energy: -113.431043
where:
bonds (distance) C4'-P energy: -22.196
bonds (distance) P-C4' energy: -19.095
flat angles C4'-P-C4' energy: -23.657
flat angles P-C4'-P energy: -17.175
tors. eta vs tors. theta energy: -31.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -313.282316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.282316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.282316 (E_RNA)
where:
Base-Base interactions energy: -216.629
where: short stacking energy: -95.303
Base-Backbone interact. energy: -0.148
local terms energy: -96.504866
where:
bonds (distance) C4'-P energy: -21.628
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -27.939
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: 292
Temperature: 1.150000
Total energy: -204.767029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.767029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.767029 (E_RNA)
where:
Base-Base interactions energy: -120.317
where: short stacking energy: -63.022
Base-Backbone interact. energy: -0.811
local terms energy: -83.639021
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -20.920
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -14.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -285.756852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.756852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.756852 (E_RNA)
where:
Base-Base interactions energy: -189.159
where: short stacking energy: -85.108
Base-Backbone interact. energy: -0.933
local terms energy: -95.664782
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -23.767
flat angles C4'-P-C4' energy: -20.484
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -26.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -121.465999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.465999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.465999 (E_RNA)
where:
Base-Base interactions energy: -56.773
where: short stacking energy: -47.411
Base-Backbone interact. energy: -0.163
local terms energy: -64.529912
where:
bonds (distance) C4'-P energy: -17.106
bonds (distance) P-C4' energy: -18.934
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -1.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -125.731004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.731004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.731004 (E_RNA)
where:
Base-Base interactions energy: -42.952
where: short stacking energy: -39.671
Base-Backbone interact. energy: 0.075
local terms energy: -82.853498
where:
bonds (distance) C4'-P energy: -22.816
bonds (distance) P-C4' energy: -22.082
flat angles C4'-P-C4' energy: -19.494
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -107.730509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.730509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.730509 (E_RNA)
where:
Base-Base interactions energy: -43.542
where: short stacking energy: -32.931
Base-Backbone interact. energy: -0.249
local terms energy: -63.939439
where:
bonds (distance) C4'-P energy: -18.959
bonds (distance) P-C4' energy: -22.135
flat angles C4'-P-C4' energy: -9.603
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -2.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -388.888746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.888746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.888746 (E_RNA)
where:
Base-Base interactions energy: -273.176
where: short stacking energy: -114.549
Base-Backbone interact. energy: -0.166
local terms energy: -115.546945
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -24.194
flat angles C4'-P-C4' energy: -22.040
flat angles P-C4'-P energy: -18.937
tors. eta vs tors. theta energy: -32.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -376.809772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.809772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.809772 (E_RNA)
where:
Base-Base interactions energy: -269.539
where: short stacking energy: -116.553
Base-Backbone interact. energy: -0.002
local terms energy: -107.268141
where:
bonds (distance) C4'-P energy: -19.376
bonds (distance) P-C4' energy: -21.691
flat angles C4'-P-C4' energy: -22.176
flat angles P-C4'-P energy: -11.716
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: 3, replica: 5
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -384.135955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.135955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.135955 (E_RNA)
where:
Base-Base interactions energy: -267.072
where: short stacking energy: -104.870
Base-Backbone interact. energy: -0.144
local terms energy: -116.920198
where:
bonds (distance) C4'-P energy: -22.721
bonds (distance) P-C4' energy: -24.441
flat angles C4'-P-C4' energy: -23.646
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -33.329
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: 293
Temperature: 1.050000
Total energy: -362.244505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.244505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.244505 (E_RNA)
where:
Base-Base interactions energy: -260.656
where: short stacking energy: -118.163
Base-Backbone interact. energy: -0.004
local terms energy: -101.583850
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -12.987
flat angles C4'-P-C4' energy: -23.892
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -33.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -331.358467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.358467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.358467 (E_RNA)
where:
Base-Base interactions energy: -219.036
where: short stacking energy: -106.580
Base-Backbone interact. energy: -0.285
local terms energy: -112.037221
where:
bonds (distance) C4'-P energy: -18.951
bonds (distance) P-C4' energy: -21.199
flat angles C4'-P-C4' energy: -23.525
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -34.437
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: 3
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -304.951963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.951963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.951963 (E_RNA)
where:
Base-Base interactions energy: -199.109
where: short stacking energy: -82.256
Base-Backbone interact. energy: -0.054
local terms energy: -105.788935
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -23.271
flat angles C4'-P-C4' energy: -24.498
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -30.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -217.156160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.156160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.156160 (E_RNA)
where:
Base-Base interactions energy: -137.332
where: short stacking energy: -65.905
Base-Backbone interact. energy: -0.213
local terms energy: -79.611410
where:
bonds (distance) C4'-P energy: -24.293
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -21.118
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -10.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -109.357899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.357899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.357899 (E_RNA)
where:
Base-Base interactions energy: -49.613
where: short stacking energy: -45.992
Base-Backbone interact. energy: -0.490
local terms energy: -59.254933
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -19.368
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -3.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -113.870082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.870082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.870082 (E_RNA)
where:
Base-Base interactions energy: -45.196
where: short stacking energy: -36.012
Base-Backbone interact. energy: 1.519
local terms energy: -70.192828
where:
bonds (distance) C4'-P energy: -16.837
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -19.003
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -4.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -105.483868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.483868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.483868 (E_RNA)
where:
Base-Base interactions energy: -42.903
where: short stacking energy: -37.231
Base-Backbone interact. energy: -0.964
local terms energy: -61.616052
where:
bonds (distance) C4'-P energy: -18.154
bonds (distance) P-C4' energy: -22.480
flat angles C4'-P-C4' energy: -19.027
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: 7.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -387.628885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.628885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.628885 (E_RNA)
where:
Base-Base interactions energy: -269.374
where: short stacking energy: -111.258
Base-Backbone interact. energy: -0.018
local terms energy: -118.237032
where:
bonds (distance) C4'-P energy: -23.172
bonds (distance) P-C4' energy: -22.044
flat angles C4'-P-C4' energy: -21.251
flat angles P-C4'-P energy: -17.120
tors. eta vs tors. theta energy: -34.649
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: 10
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -375.753516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.753516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.753516 (E_RNA)
where:
Base-Base interactions energy: -257.674
where: short stacking energy: -113.863
Base-Backbone interact. energy: -0.010
local terms energy: -118.068700
where:
bonds (distance) C4'-P energy: -18.769
bonds (distance) P-C4' energy: -23.408
flat angles C4'-P-C4' energy: -24.721
flat angles P-C4'-P energy: -16.974
tors. eta vs tors. theta energy: -34.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -379.120326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.120326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.120326 (E_RNA)
where:
Base-Base interactions energy: -260.146
where: short stacking energy: -104.707
Base-Backbone interact. energy: -0.664
local terms energy: -118.310410
where:
bonds (distance) C4'-P energy: -23.168
bonds (distance) P-C4' energy: -22.074
flat angles C4'-P-C4' energy: -22.622
flat angles P-C4'-P energy: -17.307
tors. eta vs tors. theta energy: -33.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -352.105760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.105760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.105760 (E_RNA)
where:
Base-Base interactions energy: -248.674
where: short stacking energy: -103.505
Base-Backbone interact. energy: 1.298
local terms energy: -104.729774
where:
bonds (distance) C4'-P energy: -20.788
bonds (distance) P-C4' energy: -20.480
flat angles C4'-P-C4' energy: -21.128
flat angles P-C4'-P energy: -9.466
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: 5, replica: 3
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -298.700803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.700803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.700803 (E_RNA)
where:
Base-Base interactions energy: -201.283
where: short stacking energy: -85.328
Base-Backbone interact. energy: -0.040
local terms energy: -97.377811
where:
bonds (distance) C4'-P energy: -21.898
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -20.766
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -26.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -292.276953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.276953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.276953 (E_RNA)
where:
Base-Base interactions energy: -201.275
where: short stacking energy: -78.504
Base-Backbone interact. energy: -0.469
local terms energy: -90.533235
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -20.188
flat angles C4'-P-C4' energy: -19.150
flat angles P-C4'-P energy: -15.424
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: 7, replica: 8
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -225.542348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.542348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.542348 (E_RNA)
where:
Base-Base interactions energy: -134.376
where: short stacking energy: -61.872
Base-Backbone interact. energy: -0.018
local terms energy: -91.147977
where:
bonds (distance) C4'-P energy: -18.986
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -14.453
tors. eta vs tors. theta energy: -19.870
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: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -108.868454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.868454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.868454 (E_RNA)
where:
Base-Base interactions energy: -38.051
where: short stacking energy: -38.051
Base-Backbone interact. energy: -0.515
local terms energy: -70.302453
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -20.481
flat angles C4'-P-C4' energy: -19.201
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -3.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -122.839430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.839430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.839430 (E_RNA)
where:
Base-Base interactions energy: -45.103
where: short stacking energy: -32.190
Base-Backbone interact. energy: -0.195
local terms energy: -77.541227
where:
bonds (distance) C4'-P energy: -19.113
bonds (distance) P-C4' energy: -23.651
flat angles C4'-P-C4' energy: -20.227
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -2.416
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: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -102.935655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.935655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.935655 (E_RNA)
where:
Base-Base interactions energy: -39.615
where: short stacking energy: -36.775
Base-Backbone interact. energy: 0.732
local terms energy: -64.053119
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -23.778
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -0.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -393.777892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.777892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.777892 (E_RNA)
where:
Base-Base interactions energy: -282.222
where: short stacking energy: -112.354
Base-Backbone interact. energy: -0.007
local terms energy: -111.549268
where:
bonds (distance) C4'-P energy: -20.859
bonds (distance) P-C4' energy: -22.464
flat angles C4'-P-C4' energy: -23.586
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -32.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -388.881685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.881685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.881685 (E_RNA)
where:
Base-Base interactions energy: -272.248
where: short stacking energy: -113.424
Base-Backbone interact. energy: -0.048
local terms energy: -116.585478
where:
bonds (distance) C4'-P energy: -22.580
bonds (distance) P-C4' energy: -21.793
flat angles C4'-P-C4' energy: -21.805
flat angles P-C4'-P energy: -17.891
tors. eta vs tors. theta energy: -32.516
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: 10
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -363.235419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.235419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.235419 (E_RNA)
where:
Base-Base interactions energy: -250.894
where: short stacking energy: -119.005
Base-Backbone interact. energy: 0.098
local terms energy: -112.439443
where:
bonds (distance) C4'-P energy: -20.060
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -23.903
flat angles P-C4'-P energy: -16.126
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: 4, replica: 2
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -356.188328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.188328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.188328 (E_RNA)
where:
Base-Base interactions energy: -244.207
where: short stacking energy: -113.295
Base-Backbone interact. energy: -0.007
local terms energy: -111.973574
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -26.093
flat angles P-C4'-P energy: -15.812
tors. eta vs tors. theta energy: -34.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -286.251395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.251395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.251395 (E_RNA)
where:
Base-Base interactions energy: -190.544
where: short stacking energy: -72.515
Base-Backbone interact. energy: -0.659
local terms energy: -95.048678
where:
bonds (distance) C4'-P energy: -22.319
bonds (distance) P-C4' energy: -20.712
flat angles C4'-P-C4' energy: -19.703
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -21.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -309.496296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.496296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.496296 (E_RNA)
where:
Base-Base interactions energy: -211.577
where: short stacking energy: -77.259
Base-Backbone interact. energy: -0.671
local terms energy: -97.248520
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -23.328
flat angles P-C4'-P energy: -17.884
tors. eta vs tors. theta energy: -23.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -220.157012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.157012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.157012 (E_RNA)
where:
Base-Base interactions energy: -140.422
where: short stacking energy: -61.268
Base-Backbone interact. energy: -0.224
local terms energy: -79.510912
where:
bonds (distance) C4'-P energy: -20.431
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -23.082
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -6.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -142.430951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.430951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.430951 (E_RNA)
where:
Base-Base interactions energy: -64.434
where: short stacking energy: -43.298
Base-Backbone interact. energy: -0.223
local terms energy: -77.773470
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -23.856
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -16.182
tors. eta vs tors. theta energy: -1.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -105.313345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.313345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.313345 (E_RNA)
where:
Base-Base interactions energy: -36.622
where: short stacking energy: -32.843
Base-Backbone interact. energy: -0.382
local terms energy: -68.308899
where:
bonds (distance) C4'-P energy: -20.415
bonds (distance) P-C4' energy: -23.991
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: 1.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -109.159693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.159693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.159693 (E_RNA)
where:
Base-Base interactions energy: -39.416
where: short stacking energy: -39.416
Base-Backbone interact. energy: -0.936
local terms energy: -68.807720
where:
bonds (distance) C4'-P energy: -22.133
bonds (distance) P-C4' energy: -18.668
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -14.135
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: 5
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -385.162052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.162052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.162052 (E_RNA)
where:
Base-Base interactions energy: -276.090
where: short stacking energy: -114.003
Base-Backbone interact. energy: -0.860
local terms energy: -108.212215
where:
bonds (distance) C4'-P energy: -19.951
bonds (distance) P-C4' energy: -20.339
flat angles C4'-P-C4' energy: -22.067
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -33.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -391.806795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.806795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.806795 (E_RNA)
where:
Base-Base interactions energy: -276.844
where: short stacking energy: -108.655
Base-Backbone interact. energy: -0.024
local terms energy: -114.938777
where:
bonds (distance) C4'-P energy: -17.581
bonds (distance) P-C4' energy: -22.851
flat angles C4'-P-C4' energy: -23.736
flat angles P-C4'-P energy: -17.268
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: 3, replica: 2
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -359.321040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.321040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.321040 (E_RNA)
where:
Base-Base interactions energy: -259.397
where: short stacking energy: -109.644
Base-Backbone interact. energy: -0.016
local terms energy: -99.908163
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -19.756
flat angles P-C4'-P energy: -16.881
tors. eta vs tors. theta energy: -27.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -359.691575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.691575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.691575 (E_RNA)
where:
Base-Base interactions energy: -250.505
where: short stacking energy: -105.160
Base-Backbone interact. energy: -0.342
local terms energy: -108.844487
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -24.595
flat angles C4'-P-C4' energy: -23.516
flat angles P-C4'-P energy: -14.824
tors. eta vs tors. theta energy: -30.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -323.700578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.700578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.700578 (E_RNA)
where:
Base-Base interactions energy: -227.754
where: short stacking energy: -88.842
Base-Backbone interact. energy: -0.199
local terms energy: -95.747677
where:
bonds (distance) C4'-P energy: -19.302
bonds (distance) P-C4' energy: -17.236
flat angles C4'-P-C4' energy: -21.873
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -29.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -293.294291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.294291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.294291 (E_RNA)
where:
Base-Base interactions energy: -207.284
where: short stacking energy: -81.660
Base-Backbone interact. energy: -0.507
local terms energy: -85.503062
where:
bonds (distance) C4'-P energy: -10.189
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -21.912
flat angles P-C4'-P energy: -15.442
tors. eta vs tors. theta energy: -20.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -218.533983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.533983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.533983 (E_RNA)
where:
Base-Base interactions energy: -139.350
where: short stacking energy: -71.928
Base-Backbone interact. energy: -0.327
local terms energy: -78.856924
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -18.311
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -17.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -132.537158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.537158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.537158 (E_RNA)
where:
Base-Base interactions energy: -44.214
where: short stacking energy: -32.304
Base-Backbone interact. energy: 0.428
local terms energy: -88.751279
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -20.876
flat angles C4'-P-C4' energy: -24.030
flat angles P-C4'-P energy: -17.102
tors. eta vs tors. theta energy: -8.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -105.053049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.053049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.053049 (E_RNA)
where:
Base-Base interactions energy: -38.367
where: short stacking energy: -26.648
Base-Backbone interact. energy: -0.647
local terms energy: -66.039058
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -21.802
flat angles C4'-P-C4' energy: -21.655
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: 0.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -103.844418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.844418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.844418 (E_RNA)
where:
Base-Base interactions energy: -30.284
where: short stacking energy: -29.294
Base-Backbone interact. energy: -0.082
local terms energy: -73.477969
where:
bonds (distance) C4'-P energy: -17.770
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -20.502
flat angles P-C4'-P energy: -16.987
tors. eta vs tors. theta energy: -0.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -381.051993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.051993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.051993 (E_RNA)
where:
Base-Base interactions energy: -265.521
where: short stacking energy: -113.812
Base-Backbone interact. energy: -0.011
local terms energy: -115.519338
where:
bonds (distance) C4'-P energy: -18.367
bonds (distance) P-C4' energy: -22.108
flat angles C4'-P-C4' energy: -25.068
flat angles P-C4'-P energy: -17.699
tors. eta vs tors. theta energy: -32.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -376.811148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.811148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.811148 (E_RNA)
where:
Base-Base interactions energy: -256.618
where: short stacking energy: -112.562
Base-Backbone interact. energy: -1.756
local terms energy: -118.437852
where:
bonds (distance) C4'-P energy: -23.583
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -22.606
flat angles P-C4'-P energy: -18.351
tors. eta vs tors. theta energy: -32.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -379.214035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.214035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.214035 (E_RNA)
where:
Base-Base interactions energy: -270.921
where: short stacking energy: -111.370
Base-Backbone interact. energy: -0.002
local terms energy: -108.291207
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -20.828
flat angles C4'-P-C4' energy: -22.982
flat angles P-C4'-P energy: -16.060
tors. eta vs tors. theta energy: -29.511
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: 10
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -370.485005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.485005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.485005 (E_RNA)
where:
Base-Base interactions energy: -256.660
where: short stacking energy: -109.643
Base-Backbone interact. energy: -0.042
local terms energy: -113.783124
where:
bonds (distance) C4'-P energy: -23.056
bonds (distance) P-C4' energy: -20.297
flat angles C4'-P-C4' energy: -25.582
flat angles P-C4'-P energy: -12.634
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: 4
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -321.437574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.437574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.437574 (E_RNA)
where:
Base-Base interactions energy: -210.103
where: short stacking energy: -93.254
Base-Backbone interact. energy: -0.065
local terms energy: -111.269790
where:
bonds (distance) C4'-P energy: -19.724
bonds (distance) P-C4' energy: -22.630
flat angles C4'-P-C4' energy: -19.676
flat angles P-C4'-P energy: -15.183
tors. eta vs tors. theta energy: -34.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -301.014612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.014612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.014612 (E_RNA)
where:
Base-Base interactions energy: -204.311
where: short stacking energy: -81.673
Base-Backbone interact. energy: -0.346
local terms energy: -96.357641
where:
bonds (distance) C4'-P energy: -20.500
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -30.800
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: 8
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -212.935656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.935656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.935656 (E_RNA)
where:
Base-Base interactions energy: -131.458
where: short stacking energy: -52.046
Base-Backbone interact. energy: -0.329
local terms energy: -81.149002
where:
bonds (distance) C4'-P energy: -19.153
bonds (distance) P-C4' energy: -19.176
flat angles C4'-P-C4' energy: -20.292
flat angles P-C4'-P energy: -4.071
tors. eta vs tors. theta energy: -18.458
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: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -110.204210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.204210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.204210 (E_RNA)
where:
Base-Base interactions energy: -38.321
where: short stacking energy: -38.321
Base-Backbone interact. energy: 0.370
local terms energy: -72.253096
where:
bonds (distance) C4'-P energy: -20.892
bonds (distance) P-C4' energy: -23.056
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -0.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -150.471104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.471104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.471104 (E_RNA)
where:
Base-Base interactions energy: -75.984
where: short stacking energy: -36.714
Base-Backbone interact. energy: -0.895
local terms energy: -73.592405
where:
bonds (distance) C4'-P energy: -10.325
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -22.239
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -7.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -113.679483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.679483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.679483 (E_RNA)
where:
Base-Base interactions energy: -41.968
where: short stacking energy: -36.046
Base-Backbone interact. energy: -0.022
local terms energy: -71.689963
where:
bonds (distance) C4'-P energy: -19.299
bonds (distance) P-C4' energy: -20.060
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -1.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -376.606369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.606369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.606369 (E_RNA)
where:
Base-Base interactions energy: -258.568
where: short stacking energy: -116.806
Base-Backbone interact. energy: -0.156
local terms energy: -117.882308
where:
bonds (distance) C4'-P energy: -17.315
bonds (distance) P-C4' energy: -23.170
flat angles C4'-P-C4' energy: -23.903
flat angles P-C4'-P energy: -18.746
tors. eta vs tors. theta energy: -34.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -381.665934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.665934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.665934 (E_RNA)
where:
Base-Base interactions energy: -277.429
where: short stacking energy: -109.640
Base-Backbone interact. energy: -0.001
local terms energy: -104.235985
where:
bonds (distance) C4'-P energy: -19.791
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -19.936
flat angles P-C4'-P energy: -14.552
tors. eta vs tors. theta energy: -33.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -379.838599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.838599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.838599 (E_RNA)
where:
Base-Base interactions energy: -270.088
where: short stacking energy: -112.135
Base-Backbone interact. energy: -0.002
local terms energy: -109.747908
where:
bonds (distance) C4'-P energy: -20.295
bonds (distance) P-C4' energy: -22.060
flat angles C4'-P-C4' energy: -21.796
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -34.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -366.318289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.318289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.318289 (E_RNA)
where:
Base-Base interactions energy: -250.129
where: short stacking energy: -100.987
Base-Backbone interact. energy: -1.274
local terms energy: -114.915784
where:
bonds (distance) C4'-P energy: -19.915
bonds (distance) P-C4' energy: -19.558
flat angles C4'-P-C4' energy: -24.289
flat angles P-C4'-P energy: -17.536
tors. eta vs tors. theta energy: -33.618
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: 4
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -316.730622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.730622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.730622 (E_RNA)
where:
Base-Base interactions energy: -206.945
where: short stacking energy: -93.356
Base-Backbone interact. energy: 0.348
local terms energy: -110.133102
where:
bonds (distance) C4'-P energy: -20.703
bonds (distance) P-C4' energy: -22.012
flat angles C4'-P-C4' energy: -19.314
flat angles P-C4'-P energy: -15.235
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: 3
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -285.851572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.851572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.851572 (E_RNA)
where:
Base-Base interactions energy: -189.189
where: short stacking energy: -79.740
Base-Backbone interact. energy: 0.191
local terms energy: -96.853563
where:
bonds (distance) C4'-P energy: -21.885
bonds (distance) P-C4' energy: -20.121
flat angles C4'-P-C4' energy: -19.376
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: -21.712
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: 298
Temperature: 1.200000
Total energy: -231.301917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.301917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.301917 (E_RNA)
where:
Base-Base interactions energy: -147.436
where: short stacking energy: -73.419
Base-Backbone interact. energy: -0.310
local terms energy: -83.555955
where:
bonds (distance) C4'-P energy: -17.699
bonds (distance) P-C4' energy: -22.089
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -14.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -117.290581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.290581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.290581 (E_RNA)
where:
Base-Base interactions energy: -42.555
where: short stacking energy: -36.697
Base-Backbone interact. energy: -0.607
local terms energy: -74.128755
where:
bonds (distance) C4'-P energy: -19.511
bonds (distance) P-C4' energy: -19.817
flat angles C4'-P-C4' energy: -19.505
flat angles P-C4'-P energy: -14.084
tors. eta vs tors. theta energy: -1.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -118.974123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.974123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.974123 (E_RNA)
where:
Base-Base interactions energy: -46.913
where: short stacking energy: -46.273
Base-Backbone interact. energy: -0.496
local terms energy: -71.564852
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -18.189
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -14.938
tors. eta vs tors. theta energy: -6.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -135.776914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.776914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.776914 (E_RNA)
where:
Base-Base interactions energy: -63.991
where: short stacking energy: -34.642
Base-Backbone interact. energy: -0.158
local terms energy: -71.627827
where:
bonds (distance) C4'-P energy: -18.354
bonds (distance) P-C4' energy: -24.850
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -2.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -379.062024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.062024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.062024 (E_RNA)
where:
Base-Base interactions energy: -255.901
where: short stacking energy: -117.341
Base-Backbone interact. energy: -0.075
local terms energy: -123.086301
where:
bonds (distance) C4'-P energy: -19.715
bonds (distance) P-C4' energy: -23.130
flat angles C4'-P-C4' energy: -26.201
flat angles P-C4'-P energy: -16.410
tors. eta vs tors. theta energy: -37.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -392.711913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.711913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.711913 (E_RNA)
where:
Base-Base interactions energy: -275.386
where: short stacking energy: -111.880
Base-Backbone interact. energy: -0.002
local terms energy: -117.323262
where:
bonds (distance) C4'-P energy: -24.787
bonds (distance) P-C4' energy: -19.955
flat angles C4'-P-C4' energy: -23.051
flat angles P-C4'-P energy: -17.445
tors. eta vs tors. theta energy: -32.085
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: 3, replica: 5
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -383.903478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.903478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.903478 (E_RNA)
where:
Base-Base interactions energy: -278.613
where: short stacking energy: -108.290
Base-Backbone interact. energy: -0.079
local terms energy: -105.211873
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -19.266
flat angles C4'-P-C4' energy: -24.907
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -33.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -355.146434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.146434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.146434 (E_RNA)
where:
Base-Base interactions energy: -250.644
where: short stacking energy: -112.048
Base-Backbone interact. energy: -0.904
local terms energy: -103.598265
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -19.564
flat angles C4'-P-C4' energy: -22.051
flat angles P-C4'-P energy: -14.463
tors. eta vs tors. theta energy: -33.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -309.589582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.589582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.589582 (E_RNA)
where:
Base-Base interactions energy: -211.212
where: short stacking energy: -77.097
Base-Backbone interact. energy: 0.245
local terms energy: -98.622668
where:
bonds (distance) C4'-P energy: -23.368
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -20.878
flat angles P-C4'-P energy: -17.055
tors. eta vs tors. theta energy: -21.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -294.545458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.545458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.545458 (E_RNA)
where:
Base-Base interactions energy: -199.082
where: short stacking energy: -86.916
Base-Backbone interact. energy: -0.076
local terms energy: -95.387118
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -16.270
flat angles C4'-P-C4' energy: -18.908
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -29.899
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: 8
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -216.931677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.931677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.931677 (E_RNA)
where:
Base-Base interactions energy: -125.517
where: short stacking energy: -52.507
Base-Backbone interact. energy: -0.701
local terms energy: -90.714313
where:
bonds (distance) C4'-P energy: -18.296
bonds (distance) P-C4' energy: -22.507
flat angles C4'-P-C4' energy: -21.441
flat angles P-C4'-P energy: -17.250
tors. eta vs tors. theta energy: -11.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -116.026752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.026752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.026752 (E_RNA)
where:
Base-Base interactions energy: -53.025
where: short stacking energy: -47.274
Base-Backbone interact. energy: -0.089
local terms energy: -62.912266
where:
bonds (distance) C4'-P energy: -17.790
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -3.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -121.221478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.221478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.221478 (E_RNA)
where:
Base-Base interactions energy: -58.964
where: short stacking energy: -49.303
Base-Backbone interact. energy: 1.867
local terms energy: -64.124447
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -4.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -112.178176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.178176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.178176 (E_RNA)
where:
Base-Base interactions energy: -37.779
where: short stacking energy: -36.073
Base-Backbone interact. energy: -0.381
local terms energy: -74.018261
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -23.325
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -9.509
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: 9
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -387.961995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.961995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.961995 (E_RNA)
where:
Base-Base interactions energy: -274.921
where: short stacking energy: -115.499
Base-Backbone interact. energy: -0.058
local terms energy: -112.982829
where:
bonds (distance) C4'-P energy: -22.059
bonds (distance) P-C4' energy: -21.502
flat angles C4'-P-C4' energy: -22.816
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -34.621
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: 2, replica: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -367.284713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.284713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.284713 (E_RNA)
where:
Base-Base interactions energy: -259.575
where: short stacking energy: -115.214
Base-Backbone interact. energy: 0.914
local terms energy: -108.623659
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -20.850
flat angles C4'-P-C4' energy: -25.029
flat angles P-C4'-P energy: -16.344
tors. eta vs tors. theta energy: -31.198
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: 5
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -383.530621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.530621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.530621 (E_RNA)
where:
Base-Base interactions energy: -262.675
where: short stacking energy: -106.650
Base-Backbone interact. energy: -0.152
local terms energy: -120.703220
where:
bonds (distance) C4'-P energy: -22.793
bonds (distance) P-C4' energy: -23.235
flat angles C4'-P-C4' energy: -22.315
flat angles P-C4'-P energy: -17.540
tors. eta vs tors. theta energy: -34.820
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: 10
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -350.305155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.305155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.305155 (E_RNA)
where:
Base-Base interactions energy: -242.214
where: short stacking energy: -114.870
Base-Backbone interact. energy: -0.080
local terms energy: -108.010604
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -20.290
flat angles C4'-P-C4' energy: -24.894
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -34.396
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: 3
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -313.212489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.212489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.212489 (E_RNA)
where:
Base-Base interactions energy: -213.191
where: short stacking energy: -102.855
Base-Backbone interact. energy: -0.011
local terms energy: -100.011244
where:
bonds (distance) C4'-P energy: -21.376
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -20.039
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -27.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -312.197150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.197150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.197150 (E_RNA)
where:
Base-Base interactions energy: -213.165
where: short stacking energy: -74.482
Base-Backbone interact. energy: -0.112
local terms energy: -98.919847
where:
bonds (distance) C4'-P energy: -19.997
bonds (distance) P-C4' energy: -19.137
flat angles C4'-P-C4' energy: -21.877
flat angles P-C4'-P energy: -14.612
tors. eta vs tors. theta energy: -23.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -216.841671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.841671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.841671 (E_RNA)
where:
Base-Base interactions energy: -131.225
where: short stacking energy: -51.519
Base-Backbone interact. energy: -0.548
local terms energy: -85.067904
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -22.500
flat angles C4'-P-C4' energy: -21.305
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: -12.804
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: 8, replica: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -114.876443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.876443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.876443 (E_RNA)
where:
Base-Base interactions energy: -48.487
where: short stacking energy: -48.487
Base-Backbone interact. energy: -0.116
local terms energy: -66.273675
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -11.215
flat angles C4'-P-C4' energy: -19.109
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -5.544
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: 9, replica: 7
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -123.541997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.541997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.541997 (E_RNA)
where:
Base-Base interactions energy: -44.463
where: short stacking energy: -39.799
Base-Backbone interact. energy: -0.017
local terms energy: -79.062473
where:
bonds (distance) C4'-P energy: -20.039
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -23.874
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -6.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -97.526813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.526813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.526813 (E_RNA)
where:
Base-Base interactions energy: -33.241
where: short stacking energy: -25.534
Base-Backbone interact. energy: 5.073
local terms energy: -69.359112
where:
bonds (distance) C4'-P energy: -19.151
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -2.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -392.976359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.976359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.976359 (E_RNA)
where:
Base-Base interactions energy: -275.859
where: short stacking energy: -116.520
Base-Backbone interact. energy: 0.005
local terms energy: -117.122503
where:
bonds (distance) C4'-P energy: -20.645
bonds (distance) P-C4' energy: -21.317
flat angles C4'-P-C4' energy: -20.052
flat angles P-C4'-P energy: -19.982
tors. eta vs tors. theta energy: -35.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -384.930095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.930095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.930095 (E_RNA)
where:
Base-Base interactions energy: -271.650
where: short stacking energy: -110.759
Base-Backbone interact. energy: -0.624
local terms energy: -112.656469
where:
bonds (distance) C4'-P energy: -18.589
bonds (distance) P-C4' energy: -25.089
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -17.596
tors. eta vs tors. theta energy: -32.563
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: 3, replica: 2
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -364.892987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.892987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.892987 (E_RNA)
where:
Base-Base interactions energy: -254.703
where: short stacking energy: -111.328
Base-Backbone interact. energy: -0.010
local terms energy: -110.179789
where:
bonds (distance) C4'-P energy: -19.448
bonds (distance) P-C4' energy: -20.752
flat angles C4'-P-C4' energy: -20.222
flat angles P-C4'-P energy: -16.178
tors. eta vs tors. theta energy: -33.579
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: 10
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -371.284202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.284202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.284202 (E_RNA)
where:
Base-Base interactions energy: -255.102
where: short stacking energy: -114.414
Base-Backbone interact. energy: -0.006
local terms energy: -116.176481
where:
bonds (distance) C4'-P energy: -18.616
bonds (distance) P-C4' energy: -22.388
flat angles C4'-P-C4' energy: -24.111
flat angles P-C4'-P energy: -16.413
tors. eta vs tors. theta energy: -34.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -311.705745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.705745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.705745 (E_RNA)
where:
Base-Base interactions energy: -219.621
where: short stacking energy: -88.725
Base-Backbone interact. energy: -0.266
local terms energy: -91.819038
where:
bonds (distance) C4'-P energy: -9.101
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -21.267
flat angles P-C4'-P energy: -15.712
tors. eta vs tors. theta energy: -26.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -292.311074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.311074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.311074 (E_RNA)
where:
Base-Base interactions energy: -196.136
where: short stacking energy: -85.355
Base-Backbone interact. energy: -0.103
local terms energy: -96.071335
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -21.469
flat angles C4'-P-C4' energy: -24.195
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -25.741
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: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -218.511686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.511686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.511686 (E_RNA)
where:
Base-Base interactions energy: -133.379
where: short stacking energy: -67.505
Base-Backbone interact. energy: -0.128
local terms energy: -85.004903
where:
bonds (distance) C4'-P energy: -17.725
bonds (distance) P-C4' energy: -16.401
flat angles C4'-P-C4' energy: -18.885
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -17.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -131.298874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.298874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.298874 (E_RNA)
where:
Base-Base interactions energy: -46.843
where: short stacking energy: -43.541
Base-Backbone interact. energy: 0.744
local terms energy: -85.199229
where:
bonds (distance) C4'-P energy: -17.687
bonds (distance) P-C4' energy: -19.473
flat angles C4'-P-C4' energy: -24.493
flat angles P-C4'-P energy: -13.284
tors. eta vs tors. theta energy: -10.262
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: 9, replica: 7
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -135.803469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.803469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.803469 (E_RNA)
where:
Base-Base interactions energy: -70.557
where: short stacking energy: -40.100
Base-Backbone interact. energy: 3.536
local terms energy: -68.783192
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -20.173
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -5.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -103.025612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.025612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.025612 (E_RNA)
where:
Base-Base interactions energy: -32.575
where: short stacking energy: -26.386
Base-Backbone interact. energy: -0.237
local terms energy: -70.213362
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -16.891
flat angles C4'-P-C4' energy: -21.772
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -2.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -396.436996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.436996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.436996 (E_RNA)
where:
Base-Base interactions energy: -275.573
where: short stacking energy: -112.298
Base-Backbone interact. energy: -0.417
local terms energy: -120.447199
where:
bonds (distance) C4'-P energy: -23.881
bonds (distance) P-C4' energy: -22.763
flat angles C4'-P-C4' energy: -23.442
flat angles P-C4'-P energy: -17.431
tors. eta vs tors. theta energy: -32.930
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: 9
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -384.599423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.599423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.599423 (E_RNA)
where:
Base-Base interactions energy: -262.167
where: short stacking energy: -105.876
Base-Backbone interact. energy: -0.001
local terms energy: -122.431315
where:
bonds (distance) C4'-P energy: -21.672
bonds (distance) P-C4' energy: -24.716
flat angles C4'-P-C4' energy: -26.557
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: -34.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -367.144308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.144308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.144308 (E_RNA)
where:
Base-Base interactions energy: -256.515
where: short stacking energy: -110.556
Base-Backbone interact. energy: -0.346
local terms energy: -110.283415
where:
bonds (distance) C4'-P energy: -22.701
bonds (distance) P-C4' energy: -18.801
flat angles C4'-P-C4' energy: -21.742
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -33.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -364.769951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.769951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.769951 (E_RNA)
where:
Base-Base interactions energy: -251.841
where: short stacking energy: -116.367
Base-Backbone interact. energy: -0.503
local terms energy: -112.426438
where:
bonds (distance) C4'-P energy: -22.790
bonds (distance) P-C4' energy: -18.258
flat angles C4'-P-C4' energy: -21.088
flat angles P-C4'-P energy: -18.452
tors. eta vs tors. theta energy: -31.839
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: 3
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -307.191756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.191756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.191756 (E_RNA)
where:
Base-Base interactions energy: -214.262
where: short stacking energy: -94.529
Base-Backbone interact. energy: -0.562
local terms energy: -92.367432
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -24.909
flat angles C4'-P-C4' energy: -21.237
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -21.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -273.252996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.252996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.252996 (E_RNA)
where:
Base-Base interactions energy: -171.932
where: short stacking energy: -79.193
Base-Backbone interact. energy: -0.398
local terms energy: -100.922847
where:
bonds (distance) C4'-P energy: -20.229
bonds (distance) P-C4' energy: -24.357
flat angles C4'-P-C4' energy: -20.046
flat angles P-C4'-P energy: -14.591
tors. eta vs tors. theta energy: -21.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -223.406311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.406311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.406311 (E_RNA)
where:
Base-Base interactions energy: -139.380
where: short stacking energy: -66.934
Base-Backbone interact. energy: -0.109
local terms energy: -83.916905
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -18.965
flat angles C4'-P-C4' energy: -21.326
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -18.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -124.110119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.110119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.110119 (E_RNA)
where:
Base-Base interactions energy: -52.359
where: short stacking energy: -36.066
Base-Backbone interact. energy: -0.287
local terms energy: -71.463941
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -22.676
flat angles C4'-P-C4' energy: -20.229
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -3.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -127.700370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.700370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.700370 (E_RNA)
where:
Base-Base interactions energy: -62.021
where: short stacking energy: -34.896
Base-Backbone interact. energy: -0.154
local terms energy: -65.524747
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -21.927
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -5.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -99.716398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.716398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.716398 (E_RNA)
where:
Base-Base interactions energy: -42.817
where: short stacking energy: -20.134
Base-Backbone interact. energy: -0.927
local terms energy: -55.972539
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -21.911
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: 4.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -392.186630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.186630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.186630 (E_RNA)
where:
Base-Base interactions energy: -271.011
where: short stacking energy: -112.030
Base-Backbone interact. energy: -0.377
local terms energy: -120.798809
where:
bonds (distance) C4'-P energy: -20.362
bonds (distance) P-C4' energy: -24.311
flat angles C4'-P-C4' energy: -24.268
flat angles P-C4'-P energy: -15.976
tors. eta vs tors. theta energy: -35.883
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: 303
Temperature: 0.950000
Total energy: -381.867931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.867931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.867931 (E_RNA)
where:
Base-Base interactions energy: -268.776
where: short stacking energy: -103.680
Base-Backbone interact. energy: -0.013
local terms energy: -113.078300
where:
bonds (distance) C4'-P energy: -21.951
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -24.489
flat angles P-C4'-P energy: -17.892
tors. eta vs tors. theta energy: -34.898
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: 3, replica: 2
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -374.818626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.818626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.818626 (E_RNA)
where:
Base-Base interactions energy: -254.457
where: short stacking energy: -112.693
Base-Backbone interact. energy: -0.156
local terms energy: -120.205073
where:
bonds (distance) C4'-P energy: -18.592
bonds (distance) P-C4' energy: -22.227
flat angles C4'-P-C4' energy: -25.750
flat angles P-C4'-P energy: -19.526
tors. eta vs tors. theta energy: -34.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -360.126532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.126532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.126532 (E_RNA)
where:
Base-Base interactions energy: -248.185
where: short stacking energy: -113.562
Base-Backbone interact. energy: -0.007
local terms energy: -111.934367
where:
bonds (distance) C4'-P energy: -22.402
bonds (distance) P-C4' energy: -18.453
flat angles C4'-P-C4' energy: -23.971
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -34.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -308.327961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.327961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.327961 (E_RNA)
where:
Base-Base interactions energy: -207.856
where: short stacking energy: -83.745
Base-Backbone interact. energy: -2.271
local terms energy: -98.201052
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -19.930
flat angles C4'-P-C4' energy: -20.576
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -27.284
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: 8
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -228.982727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.982727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.982727 (E_RNA)
where:
Base-Base interactions energy: -139.929
where: short stacking energy: -63.576
Base-Backbone interact. energy: -0.452
local terms energy: -88.601523
where:
bonds (distance) C4'-P energy: -19.665
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -19.860
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -15.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -256.539603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.539603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.539603 (E_RNA)
where:
Base-Base interactions energy: -165.825
where: short stacking energy: -57.237
Base-Backbone interact. energy: -0.338
local terms energy: -90.376737
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -20.495
flat angles C4'-P-C4' energy: -23.065
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -13.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -116.437368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.437368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.437368 (E_RNA)
where:
Base-Base interactions energy: -53.589
where: short stacking energy: -37.470
Base-Backbone interact. energy: -0.134
local terms energy: -62.714105
where:
bonds (distance) C4'-P energy: -21.120
bonds (distance) P-C4' energy: -18.549
flat angles C4'-P-C4' energy: -10.631
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -4.298
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: 6
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -108.699856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.699856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.699856 (E_RNA)
where:
Base-Base interactions energy: -40.520
where: short stacking energy: -33.327
Base-Backbone interact. energy: -0.248
local terms energy: -67.932184
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -21.078
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -5.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -107.150993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.150993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.150993 (E_RNA)
where:
Base-Base interactions energy: -32.480
where: short stacking energy: -30.636
Base-Backbone interact. energy: -0.024
local terms energy: -74.646989
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -20.336
flat angles C4'-P-C4' energy: -18.355
flat angles P-C4'-P energy: -14.078
tors. eta vs tors. theta energy: -4.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -391.273726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.273726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.273726 (E_RNA)
where:
Base-Base interactions energy: -274.060
where: short stacking energy: -108.128
Base-Backbone interact. energy: -0.627
local terms energy: -116.587487
where:
bonds (distance) C4'-P energy: -20.859
bonds (distance) P-C4' energy: -21.833
flat angles C4'-P-C4' energy: -23.670
flat angles P-C4'-P energy: -16.399
tors. eta vs tors. theta energy: -33.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -393.771858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.771858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.771858 (E_RNA)
where:
Base-Base interactions energy: -276.792
where: short stacking energy: -116.676
Base-Backbone interact. energy: -0.049
local terms energy: -116.930936
where:
bonds (distance) C4'-P energy: -20.989
bonds (distance) P-C4' energy: -21.146
flat angles C4'-P-C4' energy: -22.680
flat angles P-C4'-P energy: -18.099
tors. eta vs tors. theta energy: -34.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -366.842003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.842003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.842003 (E_RNA)
where:
Base-Base interactions energy: -255.135
where: short stacking energy: -113.842
Base-Backbone interact. energy: -0.006
local terms energy: -111.701379
where:
bonds (distance) C4'-P energy: -20.677
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -22.938
flat angles P-C4'-P energy: -18.294
tors. eta vs tors. theta energy: -31.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -363.985421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.985421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.985421 (E_RNA)
where:
Base-Base interactions energy: -254.750
where: short stacking energy: -116.178
Base-Backbone interact. energy: 1.506
local terms energy: -110.741393
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -19.522
flat angles C4'-P-C4' energy: -23.849
flat angles P-C4'-P energy: -16.947
tors. eta vs tors. theta energy: -35.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -261.992309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.992309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.992309 (E_RNA)
where:
Base-Base interactions energy: -164.732
where: short stacking energy: -85.530
Base-Backbone interact. energy: -0.903
local terms energy: -96.357813
where:
bonds (distance) C4'-P energy: -18.967
bonds (distance) P-C4' energy: -18.799
flat angles C4'-P-C4' energy: -20.990
flat angles P-C4'-P energy: -17.578
tors. eta vs tors. theta energy: -20.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -277.919044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.919044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.919044 (E_RNA)
where:
Base-Base interactions energy: -181.415
where: short stacking energy: -72.418
Base-Backbone interact. energy: -0.132
local terms energy: -96.372108
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -20.138
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -23.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -216.974308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.974308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.974308 (E_RNA)
where:
Base-Base interactions energy: -129.059
where: short stacking energy: -70.044
Base-Backbone interact. energy: -0.097
local terms energy: -87.817837
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -19.647
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -17.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -117.914689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.914689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.914689 (E_RNA)
where:
Base-Base interactions energy: -49.520
where: short stacking energy: -43.335
Base-Backbone interact. energy: -0.437
local terms energy: -67.957811
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -6.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -106.499877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.499877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.499877 (E_RNA)
where:
Base-Base interactions energy: -40.579
where: short stacking energy: -33.353
Base-Backbone interact. energy: -0.203
local terms energy: -65.717621
where:
bonds (distance) C4'-P energy: -23.110
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -3.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -101.521900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.521900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.521900 (E_RNA)
where:
Base-Base interactions energy: -39.896
where: short stacking energy: -29.628
Base-Backbone interact. energy: -0.801
local terms energy: -60.825189
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -9.310
flat angles P-C4'-P energy: -15.442
tors. eta vs tors. theta energy: -0.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -387.825310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.825310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.825310 (E_RNA)
where:
Base-Base interactions energy: -270.991
where: short stacking energy: -113.015
Base-Backbone interact. energy: -0.415
local terms energy: -116.419144
where:
bonds (distance) C4'-P energy: -19.090
bonds (distance) P-C4' energy: -23.852
flat angles C4'-P-C4' energy: -24.422
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -34.012
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: 10
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -381.811440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.811440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.811440 (E_RNA)
where:
Base-Base interactions energy: -260.318
where: short stacking energy: -114.988
Base-Backbone interact. energy: -0.041
local terms energy: -121.452377
where:
bonds (distance) C4'-P energy: -20.396
bonds (distance) P-C4' energy: -24.618
flat angles C4'-P-C4' energy: -24.995
flat angles P-C4'-P energy: -18.206
tors. eta vs tors. theta energy: -33.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -388.467787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.467787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.467787 (E_RNA)
where:
Base-Base interactions energy: -274.194
where: short stacking energy: -114.073
Base-Backbone interact. energy: -0.099
local terms energy: -114.175141
where:
bonds (distance) C4'-P energy: -22.387
bonds (distance) P-C4' energy: -19.825
flat angles C4'-P-C4' energy: -24.685
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -34.097
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: 2
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -354.084256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.084256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.084256 (E_RNA)
where:
Base-Base interactions energy: -239.645
where: short stacking energy: -107.587
Base-Backbone interact. energy: -0.010
local terms energy: -114.429045
where:
bonds (distance) C4'-P energy: -20.930
bonds (distance) P-C4' energy: -21.136
flat angles C4'-P-C4' energy: -22.262
flat angles P-C4'-P energy: -17.860
tors. eta vs tors. theta energy: -32.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -298.839519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.839519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.839519 (E_RNA)
where:
Base-Base interactions energy: -200.060
where: short stacking energy: -91.473
Base-Backbone interact. energy: -0.541
local terms energy: -98.238797
where:
bonds (distance) C4'-P energy: -19.863
bonds (distance) P-C4' energy: -19.069
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -19.373
tors. eta vs tors. theta energy: -24.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -266.907174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.907174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.907174 (E_RNA)
where:
Base-Base interactions energy: -179.934
where: short stacking energy: -81.281
Base-Backbone interact. energy: -0.138
local terms energy: -86.835264
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -22.328
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -14.510
tors. eta vs tors. theta energy: -20.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -205.852697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.852697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.852697 (E_RNA)
where:
Base-Base interactions energy: -123.215
where: short stacking energy: -67.785
Base-Backbone interact. energy: -0.624
local terms energy: -82.013499
where:
bonds (distance) C4'-P energy: -7.230
bonds (distance) P-C4' energy: -25.973
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -15.554
tors. eta vs tors. theta energy: -16.917
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: 8, replica: 6
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -135.179806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.179806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.179806 (E_RNA)
where:
Base-Base interactions energy: -55.898
where: short stacking energy: -47.033
Base-Backbone interact. energy: -2.046
local terms energy: -77.235392
where:
bonds (distance) C4'-P energy: -17.790
bonds (distance) P-C4' energy: -22.801
flat angles C4'-P-C4' energy: -18.608
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -5.719
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: 7
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -104.900497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.900497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.900497 (E_RNA)
where:
Base-Base interactions energy: -49.186
where: short stacking energy: -42.115
Base-Backbone interact. energy: -0.249
local terms energy: -55.465419
where:
bonds (distance) C4'-P energy: -20.096
bonds (distance) P-C4' energy: -17.733
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -2.516
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: 10, replica: 1
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -100.286846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.286846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.286846 (E_RNA)
where:
Base-Base interactions energy: -38.403
where: short stacking energy: -31.204
Base-Backbone interact. energy: -1.309
local terms energy: -60.573923
where:
bonds (distance) C4'-P energy: -20.353
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: 5.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -384.495120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.495120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.495120 (E_RNA)
where:
Base-Base interactions energy: -267.310
where: short stacking energy: -114.079
Base-Backbone interact. energy: 0.090
local terms energy: -117.275579
where:
bonds (distance) C4'-P energy: -18.951
bonds (distance) P-C4' energy: -21.053
flat angles C4'-P-C4' energy: -25.471
flat angles P-C4'-P energy: -18.335
tors. eta vs tors. theta energy: -33.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -382.939309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.939309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.939309 (E_RNA)
where:
Base-Base interactions energy: -264.168
where: short stacking energy: -107.496
Base-Backbone interact. energy: 0.210
local terms energy: -118.980853
where:
bonds (distance) C4'-P energy: -22.088
bonds (distance) P-C4' energy: -21.710
flat angles C4'-P-C4' energy: -25.865
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -36.339
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: 306
Temperature: 1.000000
Total energy: -378.318325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.318325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.318325 (E_RNA)
where:
Base-Base interactions energy: -264.798
where: short stacking energy: -111.407
Base-Backbone interact. energy: -0.241
local terms energy: -113.279877
where:
bonds (distance) C4'-P energy: -19.708
bonds (distance) P-C4' energy: -23.630
flat angles C4'-P-C4' energy: -24.035
flat angles P-C4'-P energy: -15.668
tors. eta vs tors. theta energy: -30.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -362.321967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.321967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.321967 (E_RNA)
where:
Base-Base interactions energy: -249.814
where: short stacking energy: -95.916
Base-Backbone interact. energy: -0.702
local terms energy: -111.805604
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -21.587
flat angles C4'-P-C4' energy: -24.415
flat angles P-C4'-P energy: -18.387
tors. eta vs tors. theta energy: -28.400
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: 8
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -304.243067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.243067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.243067 (E_RNA)
where:
Base-Base interactions energy: -199.448
where: short stacking energy: -100.073
Base-Backbone interact. energy: -0.082
local terms energy: -104.712504
where:
bonds (distance) C4'-P energy: -18.330
bonds (distance) P-C4' energy: -19.409
flat angles C4'-P-C4' energy: -24.409
flat angles P-C4'-P energy: -14.023
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: 6, replica: 3
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -309.129702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.129702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.129702 (E_RNA)
where:
Base-Base interactions energy: -212.539
where: short stacking energy: -93.640
Base-Backbone interact. energy: -1.180
local terms energy: -95.411173
where:
bonds (distance) C4'-P energy: -19.774
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -23.522
flat angles P-C4'-P energy: -15.592
tors. eta vs tors. theta energy: -21.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -235.016307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.016307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.016307 (E_RNA)
where:
Base-Base interactions energy: -157.635
where: short stacking energy: -74.304
Base-Backbone interact. energy: -0.762
local terms energy: -76.619341
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -18.792
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -17.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -138.451149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.451149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.451149 (E_RNA)
where:
Base-Base interactions energy: -73.261
where: short stacking energy: -40.742
Base-Backbone interact. energy: -0.299
local terms energy: -64.890863
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -18.634
flat angles P-C4'-P energy: -5.688
tors. eta vs tors. theta energy: -5.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -118.246897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.246897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.246897 (E_RNA)
where:
Base-Base interactions energy: -44.766
where: short stacking energy: -41.240
Base-Backbone interact. energy: -0.144
local terms energy: -73.336725
where:
bonds (distance) C4'-P energy: -22.845
bonds (distance) P-C4' energy: -17.416
flat angles C4'-P-C4' energy: -20.657
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -2.413
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: 7
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -106.158107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.158107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.158107 (E_RNA)
where:
Base-Base interactions energy: -44.862
where: short stacking energy: -33.106
Base-Backbone interact. energy: -0.287
local terms energy: -61.008921
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -13.139
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -3.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -374.762690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.762690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.762690 (E_RNA)
where:
Base-Base interactions energy: -254.194
where: short stacking energy: -103.024
Base-Backbone interact. energy: -0.014
local terms energy: -120.554781
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -25.495
flat angles C4'-P-C4' energy: -23.562
flat angles P-C4'-P energy: -19.202
tors. eta vs tors. theta energy: -33.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -389.176658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.176658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.176658 (E_RNA)
where:
Base-Base interactions energy: -274.752
where: short stacking energy: -110.585
Base-Backbone interact. energy: 0.336
local terms energy: -114.761201
where:
bonds (distance) C4'-P energy: -20.025
bonds (distance) P-C4' energy: -21.355
flat angles C4'-P-C4' energy: -23.226
flat angles P-C4'-P energy: -15.137
tors. eta vs tors. theta energy: -35.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -380.975107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.975107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.975107 (E_RNA)
where:
Base-Base interactions energy: -263.180
where: short stacking energy: -103.295
Base-Backbone interact. energy: 2.322
local terms energy: -120.117386
where:
bonds (distance) C4'-P energy: -20.428
bonds (distance) P-C4' energy: -22.375
flat angles C4'-P-C4' energy: -21.545
flat angles P-C4'-P energy: -20.650
tors. eta vs tors. theta energy: -35.119
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: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -372.508510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.508510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.508510 (E_RNA)
where:
Base-Base interactions energy: -255.850
where: short stacking energy: -95.568
Base-Backbone interact. energy: -1.016
local terms energy: -115.642469
where:
bonds (distance) C4'-P energy: -22.386
bonds (distance) P-C4' energy: -23.676
flat angles C4'-P-C4' energy: -24.027
flat angles P-C4'-P energy: -18.355
tors. eta vs tors. theta energy: -27.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -288.002225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.002225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.002225 (E_RNA)
where:
Base-Base interactions energy: -200.075
where: short stacking energy: -93.622
Base-Backbone interact. energy: -0.188
local terms energy: -87.738956
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -22.547
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -26.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -304.993560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.993560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.993560 (E_RNA)
where:
Base-Base interactions energy: -205.990
where: short stacking energy: -86.070
Base-Backbone interact. energy: -0.890
local terms energy: -98.112609
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -21.667
flat angles P-C4'-P energy: -15.198
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: 4
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -235.192858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.192858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.192858 (E_RNA)
where:
Base-Base interactions energy: -146.973
where: short stacking energy: -59.231
Base-Backbone interact. energy: -0.283
local terms energy: -87.936813
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -22.925
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -19.178
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: 6
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -155.592834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.592834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.592834 (E_RNA)
where:
Base-Base interactions energy: -75.589
where: short stacking energy: -35.532
Base-Backbone interact. energy: -0.254
local terms energy: -79.749969
where:
bonds (distance) C4'-P energy: -17.244
bonds (distance) P-C4' energy: -20.481
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -16.539
tors. eta vs tors. theta energy: -11.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -116.284996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.284996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.284996 (E_RNA)
where:
Base-Base interactions energy: -39.146
where: short stacking energy: -33.566
Base-Backbone interact. energy: -0.483
local terms energy: -76.656571
where:
bonds (distance) C4'-P energy: -22.621
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -19.331
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -3.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -100.801253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.801253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.801253 (E_RNA)
where:
Base-Base interactions energy: -47.749
where: short stacking energy: -38.295
Base-Backbone interact. energy: -0.545
local terms energy: -52.507768
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -22.299
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -3.854
tors. eta vs tors. theta energy: 3.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -392.724827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.724827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.724827 (E_RNA)
where:
Base-Base interactions energy: -274.795
where: short stacking energy: -106.981
Base-Backbone interact. energy: -0.002
local terms energy: -117.927861
where:
bonds (distance) C4'-P energy: -20.449
bonds (distance) P-C4' energy: -25.097
flat angles C4'-P-C4' energy: -20.815
flat angles P-C4'-P energy: -18.160
tors. eta vs tors. theta energy: -33.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -377.488838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.488838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.488838 (E_RNA)
where:
Base-Base interactions energy: -261.016
where: short stacking energy: -113.356
Base-Backbone interact. energy: 1.017
local terms energy: -117.489707
where:
bonds (distance) C4'-P energy: -21.391
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -27.002
flat angles P-C4'-P energy: -20.857
tors. eta vs tors. theta energy: -34.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -366.188071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.188071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.188071 (E_RNA)
where:
Base-Base interactions energy: -255.594
where: short stacking energy: -104.639
Base-Backbone interact. energy: -2.644
local terms energy: -107.949757
where:
bonds (distance) C4'-P energy: -21.743
bonds (distance) P-C4' energy: -23.605
flat angles C4'-P-C4' energy: -20.774
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -30.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -376.424633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.424633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.424633 (E_RNA)
where:
Base-Base interactions energy: -265.787
where: short stacking energy: -104.641
Base-Backbone interact. energy: -0.144
local terms energy: -110.493081
where:
bonds (distance) C4'-P energy: -17.137
bonds (distance) P-C4' energy: -20.374
flat angles C4'-P-C4' energy: -23.976
flat angles P-C4'-P energy: -14.477
tors. eta vs tors. theta energy: -34.528
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: 3
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -309.541054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.541054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.541054 (E_RNA)
where:
Base-Base interactions energy: -207.917
where: short stacking energy: -83.536
Base-Backbone interact. energy: -0.186
local terms energy: -101.438297
where:
bonds (distance) C4'-P energy: -21.186
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -21.815
flat angles P-C4'-P energy: -16.244
tors. eta vs tors. theta energy: -23.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -251.976623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.976623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.976623 (E_RNA)
where:
Base-Base interactions energy: -157.058
where: short stacking energy: -67.292
Base-Backbone interact. energy: -0.204
local terms energy: -94.714083
where:
bonds (distance) C4'-P energy: -22.320
bonds (distance) P-C4' energy: -21.387
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -16.432
tors. eta vs tors. theta energy: -16.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -271.998615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.998615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.998615 (E_RNA)
where:
Base-Base interactions energy: -179.864
where: short stacking energy: -79.193
Base-Backbone interact. energy: -0.140
local terms energy: -91.994710
where:
bonds (distance) C4'-P energy: -24.614
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -23.335
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -19.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -149.861858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.861858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.861858 (E_RNA)
where:
Base-Base interactions energy: -74.280
where: short stacking energy: -42.056
Base-Backbone interact. energy: 1.294
local terms energy: -76.875505
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -25.840
flat angles C4'-P-C4' energy: -18.347
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -7.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -155.215182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.215182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.215182 (E_RNA)
where:
Base-Base interactions energy: -70.664
where: short stacking energy: -43.868
Base-Backbone interact. energy: -0.230
local terms energy: -84.321927
where:
bonds (distance) C4'-P energy: -20.804
bonds (distance) P-C4' energy: -20.296
flat angles C4'-P-C4' energy: -20.125
flat angles P-C4'-P energy: -11.474
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: 7
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -97.427877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.427877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.427877 (E_RNA)
where:
Base-Base interactions energy: -39.681
where: short stacking energy: -32.212
Base-Backbone interact. energy: -0.034
local terms energy: -57.712284
where:
bonds (distance) C4'-P energy: -18.013
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -5.574
tors. eta vs tors. theta energy: -4.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -396.675534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.675534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.675534 (E_RNA)
where:
Base-Base interactions energy: -278.449
where: short stacking energy: -115.219
Base-Backbone interact. energy: -0.001
local terms energy: -118.225577
where:
bonds (distance) C4'-P energy: -23.668
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -23.411
flat angles P-C4'-P energy: -16.621
tors. eta vs tors. theta energy: -33.947
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: 10
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -366.027776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.027776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.027776 (E_RNA)
where:
Base-Base interactions energy: -248.244
where: short stacking energy: -111.779
Base-Backbone interact. energy: -0.006
local terms energy: -117.777219
where:
bonds (distance) C4'-P energy: -23.978
bonds (distance) P-C4' energy: -21.678
flat angles C4'-P-C4' energy: -23.372
flat angles P-C4'-P energy: -16.853
tors. eta vs tors. theta energy: -31.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -367.724425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.724425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.724425 (E_RNA)
where:
Base-Base interactions energy: -261.192
where: short stacking energy: -108.143
Base-Backbone interact. energy: -0.342
local terms energy: -106.190532
where:
bonds (distance) C4'-P energy: -18.512
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -24.687
flat angles P-C4'-P energy: -15.172
tors. eta vs tors. theta energy: -28.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -380.138241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.138241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.138241 (E_RNA)
where:
Base-Base interactions energy: -264.979
where: short stacking energy: -111.875
Base-Backbone interact. energy: -0.080
local terms energy: -115.078933
where:
bonds (distance) C4'-P energy: -23.093
bonds (distance) P-C4' energy: -21.405
flat angles C4'-P-C4' energy: -25.949
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -32.877
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: 3
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -311.856759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.856759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.856759 (E_RNA)
where:
Base-Base interactions energy: -211.871
where: short stacking energy: -96.072
Base-Backbone interact. energy: -0.044
local terms energy: -99.941695
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -21.280
flat angles C4'-P-C4' energy: -19.598
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -31.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -289.997941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.997941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.997941 (E_RNA)
where:
Base-Base interactions energy: -198.205
where: short stacking energy: -82.061
Base-Backbone interact. energy: 1.890
local terms energy: -93.683416
where:
bonds (distance) C4'-P energy: -20.735
bonds (distance) P-C4' energy: -20.636
flat angles C4'-P-C4' energy: -20.841
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -23.078
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: 8
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -248.100660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.100660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.100660 (E_RNA)
where:
Base-Base interactions energy: -161.252
where: short stacking energy: -68.527
Base-Backbone interact. energy: 0.099
local terms energy: -86.948461
where:
bonds (distance) C4'-P energy: -17.430
bonds (distance) P-C4' energy: -21.913
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -17.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -121.413895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.413895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.413895 (E_RNA)
where:
Base-Base interactions energy: -46.360
where: short stacking energy: -36.234
Base-Backbone interact. energy: 0.964
local terms energy: -76.017296
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -15.259
tors. eta vs tors. theta energy: -9.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -111.444578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.444578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.444578 (E_RNA)
where:
Base-Base interactions energy: -24.678
where: short stacking energy: -24.678
Base-Backbone interact. energy: -0.258
local terms energy: -86.508592
where:
bonds (distance) C4'-P energy: -23.423
bonds (distance) P-C4' energy: -23.868
flat angles C4'-P-C4' energy: -20.339
flat angles P-C4'-P energy: -15.788
tors. eta vs tors. theta energy: -3.090
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: 7
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -133.391769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.391769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.391769 (E_RNA)
where:
Base-Base interactions energy: -76.162
where: short stacking energy: -47.067
Base-Backbone interact. energy: -1.049
local terms energy: -56.181117
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -9.893
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -7.391
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: 310
Temperature: 0.900000
Total energy: -395.903087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.903087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.903087 (E_RNA)
where:
Base-Base interactions energy: -273.595
where: short stacking energy: -108.844
Base-Backbone interact. energy: -0.283
local terms energy: -122.024742
where:
bonds (distance) C4'-P energy: -23.629
bonds (distance) P-C4' energy: -22.443
flat angles C4'-P-C4' energy: -26.524
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -37.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -375.870673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.870673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.870673 (E_RNA)
where:
Base-Base interactions energy: -263.531
where: short stacking energy: -113.795
Base-Backbone interact. energy: -0.012
local terms energy: -112.327915
where:
bonds (distance) C4'-P energy: -19.159
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -24.232
flat angles P-C4'-P energy: -19.105
tors. eta vs tors. theta energy: -33.845
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: 5
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -385.539790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.539790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.539790 (E_RNA)
where:
Base-Base interactions energy: -274.164
where: short stacking energy: -113.016
Base-Backbone interact. energy: -0.100
local terms energy: -111.275620
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -25.969
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -36.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -364.947230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.947230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.947230 (E_RNA)
where:
Base-Base interactions energy: -249.715
where: short stacking energy: -101.701
Base-Backbone interact. energy: -0.575
local terms energy: -114.657184
where:
bonds (distance) C4'-P energy: -20.249
bonds (distance) P-C4' energy: -23.172
flat angles C4'-P-C4' energy: -25.733
flat angles P-C4'-P energy: -15.058
tors. eta vs tors. theta energy: -30.446
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: 4
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -296.111160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.111160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.111160 (E_RNA)
where:
Base-Base interactions energy: -194.418
where: short stacking energy: -89.381
Base-Backbone interact. energy: -0.002
local terms energy: -101.690995
where:
bonds (distance) C4'-P energy: -18.768
bonds (distance) P-C4' energy: -21.577
flat angles C4'-P-C4' energy: -20.633
flat angles P-C4'-P energy: -15.828
tors. eta vs tors. theta energy: -24.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -292.909705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.909705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.909705 (E_RNA)
where:
Base-Base interactions energy: -198.505
where: short stacking energy: -76.514
Base-Backbone interact. energy: -0.924
local terms energy: -93.480020
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -22.821
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -29.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -242.144113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.144113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.144113 (E_RNA)
where:
Base-Base interactions energy: -154.501
where: short stacking energy: -77.608
Base-Backbone interact. energy: -0.221
local terms energy: -87.421622
where:
bonds (distance) C4'-P energy: -7.731
bonds (distance) P-C4' energy: -23.440
flat angles C4'-P-C4' energy: -20.069
flat angles P-C4'-P energy: -15.686
tors. eta vs tors. theta energy: -20.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -102.830386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.830386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.830386 (E_RNA)
where:
Base-Base interactions energy: -30.069
where: short stacking energy: -28.874
Base-Backbone interact. energy: -0.897
local terms energy: -71.864929
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -23.505
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -14.913
tors. eta vs tors. theta energy: 1.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -113.129128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.129128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.129128 (E_RNA)
where:
Base-Base interactions energy: -41.206
where: short stacking energy: -41.406
Base-Backbone interact. energy: -0.354
local terms energy: -71.569331
where:
bonds (distance) C4'-P energy: -18.201
bonds (distance) P-C4' energy: -17.507
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: -5.534
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: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -103.459154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.459154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.459154 (E_RNA)
where:
Base-Base interactions energy: -40.247
where: short stacking energy: -34.269
Base-Backbone interact. energy: -0.293
local terms energy: -62.919541
where:
bonds (distance) C4'-P energy: -21.881
bonds (distance) P-C4' energy: -18.750
flat angles C4'-P-C4' energy: -19.882
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: 5.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -390.496570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.496570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.496570 (E_RNA)
where:
Base-Base interactions energy: -272.723
where: short stacking energy: -113.429
Base-Backbone interact. energy: -0.001
local terms energy: -117.771781
where:
bonds (distance) C4'-P energy: -21.622
bonds (distance) P-C4' energy: -22.196
flat angles C4'-P-C4' energy: -24.668
flat angles P-C4'-P energy: -16.055
tors. eta vs tors. theta energy: -33.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -390.838896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.838896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.838896 (E_RNA)
where:
Base-Base interactions energy: -269.652
where: short stacking energy: -115.088
Base-Backbone interact. energy: 0.822
local terms energy: -122.008699
where:
bonds (distance) C4'-P energy: -21.351
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -24.819
flat angles P-C4'-P energy: -16.851
tors. eta vs tors. theta energy: -36.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -367.637983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.637983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.637983 (E_RNA)
where:
Base-Base interactions energy: -254.346
where: short stacking energy: -105.510
Base-Backbone interact. energy: -0.120
local terms energy: -113.171428
where:
bonds (distance) C4'-P energy: -19.683
bonds (distance) P-C4' energy: -20.789
flat angles C4'-P-C4' energy: -19.355
flat angles P-C4'-P energy: -19.929
tors. eta vs tors. theta energy: -33.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -362.821161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.821161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.821161 (E_RNA)
where:
Base-Base interactions energy: -248.579
where: short stacking energy: -107.116
Base-Backbone interact. energy: -0.199
local terms energy: -114.043705
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -21.355
flat angles P-C4'-P energy: -16.153
tors. eta vs tors. theta energy: -32.879
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: 4
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -305.235977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.235977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.235977 (E_RNA)
where:
Base-Base interactions energy: -197.426
where: short stacking energy: -101.706
Base-Backbone interact. energy: 0.098
local terms energy: -107.908156
where:
bonds (distance) C4'-P energy: -16.324
bonds (distance) P-C4' energy: -23.328
flat angles C4'-P-C4' energy: -21.104
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: -32.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -281.765565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.765565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.765565 (E_RNA)
where:
Base-Base interactions energy: -182.353
where: short stacking energy: -83.876
Base-Backbone interact. energy: -0.042
local terms energy: -99.370759
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -26.926
flat angles C4'-P-C4' energy: -23.099
flat angles P-C4'-P energy: -15.642
tors. eta vs tors. theta energy: -21.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -250.183600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.183600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.183600 (E_RNA)
where:
Base-Base interactions energy: -149.986
where: short stacking energy: -73.644
Base-Backbone interact. energy: -0.110
local terms energy: -100.087178
where:
bonds (distance) C4'-P energy: -22.307
bonds (distance) P-C4' energy: -22.528
flat angles C4'-P-C4' energy: -24.021
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -21.125
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: 8, replica: 7
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -123.838995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.838995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.838995 (E_RNA)
where:
Base-Base interactions energy: -60.435
where: short stacking energy: -38.018
Base-Backbone interact. energy: -0.223
local terms energy: -63.181153
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -21.194
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -7.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -117.190297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.190297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.190297 (E_RNA)
where:
Base-Base interactions energy: -41.344
where: short stacking energy: -41.120
Base-Backbone interact. energy: -0.200
local terms energy: -75.645582
where:
bonds (distance) C4'-P energy: -24.807
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -12.046
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: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -114.483554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.483554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.483554 (E_RNA)
where:
Base-Base interactions energy: -40.595
where: short stacking energy: -26.563
Base-Backbone interact. energy: -0.145
local terms energy: -73.743751
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -19.687
flat angles C4'-P-C4' energy: -20.139
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -1.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -397.550475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.550475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.550475 (E_RNA)
where:
Base-Base interactions energy: -279.972
where: short stacking energy: -107.785
Base-Backbone interact. energy: -0.064
local terms energy: -117.514088
where:
bonds (distance) C4'-P energy: -20.746
bonds (distance) P-C4' energy: -21.172
flat angles C4'-P-C4' energy: -25.081
flat angles P-C4'-P energy: -15.699
tors. eta vs tors. theta energy: -34.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -396.263515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.263515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.263515 (E_RNA)
where:
Base-Base interactions energy: -276.703
where: short stacking energy: -113.022
Base-Backbone interact. energy: -0.653
local terms energy: -118.907718
where:
bonds (distance) C4'-P energy: -19.011
bonds (distance) P-C4' energy: -25.495
flat angles C4'-P-C4' energy: -25.212
flat angles P-C4'-P energy: -12.246
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: 3, replica: 10
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -367.060528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.060528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.060528 (E_RNA)
where:
Base-Base interactions energy: -252.039
where: short stacking energy: -108.794
Base-Backbone interact. energy: 1.541
local terms energy: -116.562209
where:
bonds (distance) C4'-P energy: -21.815
bonds (distance) P-C4' energy: -21.030
flat angles C4'-P-C4' energy: -27.418
flat angles P-C4'-P energy: -11.735
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: 4, replica: 2
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -350.628708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.628708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.628708 (E_RNA)
where:
Base-Base interactions energy: -249.226
where: short stacking energy: -110.118
Base-Backbone interact. energy: 0.822
local terms energy: -102.224393
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -19.832
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -17.587
tors. eta vs tors. theta energy: -33.119
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: 4
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -313.336454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.336454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.336454 (E_RNA)
where:
Base-Base interactions energy: -208.421
where: short stacking energy: -92.564
Base-Backbone interact. energy: -0.407
local terms energy: -104.507876
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -22.317
flat angles C4'-P-C4' energy: -23.096
flat angles P-C4'-P energy: -15.508
tors. eta vs tors. theta energy: -25.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -295.783462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.783462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.783462 (E_RNA)
where:
Base-Base interactions energy: -200.688
where: short stacking energy: -82.390
Base-Backbone interact. energy: 0.507
local terms energy: -95.601791
where:
bonds (distance) C4'-P energy: -24.862
bonds (distance) P-C4' energy: -20.388
flat angles C4'-P-C4' energy: -19.289
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -19.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -238.014559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.014559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.014559 (E_RNA)
where:
Base-Base interactions energy: -159.651
where: short stacking energy: -83.017
Base-Backbone interact. energy: -0.191
local terms energy: -78.172536
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -14.073
tors. eta vs tors. theta energy: -21.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -124.487480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.487480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.487480 (E_RNA)
where:
Base-Base interactions energy: -45.134
where: short stacking energy: -45.134
Base-Backbone interact. energy: -1.389
local terms energy: -77.965053
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -22.145
flat angles C4'-P-C4' energy: -20.466
flat angles P-C4'-P energy: -14.955
tors. eta vs tors. theta energy: -7.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -127.072150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.072150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.072150 (E_RNA)
where:
Base-Base interactions energy: -57.639
where: short stacking energy: -45.724
Base-Backbone interact. energy: -0.132
local terms energy: -69.301424
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -18.476
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -8.140
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: 10, replica: 1
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -109.170148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.170148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.170148 (E_RNA)
where:
Base-Base interactions energy: -41.623
where: short stacking energy: -32.495
Base-Backbone interact. energy: -0.075
local terms energy: -67.471781
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -18.268
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -5.334
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: 313
Temperature: 0.900000
Total energy: -393.591362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.591362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.591362 (E_RNA)
where:
Base-Base interactions energy: -279.217
where: short stacking energy: -116.275
Base-Backbone interact. energy: -0.089
local terms energy: -114.285610
where:
bonds (distance) C4'-P energy: -18.831
bonds (distance) P-C4' energy: -19.180
flat angles C4'-P-C4' energy: -25.941
flat angles P-C4'-P energy: -15.358
tors. eta vs tors. theta energy: -34.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -397.232500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.232500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.232500 (E_RNA)
where:
Base-Base interactions energy: -278.120
where: short stacking energy: -117.921
Base-Backbone interact. energy: -0.597
local terms energy: -118.515525
where:
bonds (distance) C4'-P energy: -22.237
bonds (distance) P-C4' energy: -21.089
flat angles C4'-P-C4' energy: -23.060
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: -35.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -365.730758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.730758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.730758 (E_RNA)
where:
Base-Base interactions energy: -248.593
where: short stacking energy: -112.710
Base-Backbone interact. energy: -0.000
local terms energy: -117.136914
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -25.018
flat angles C4'-P-C4' energy: -24.135
flat angles P-C4'-P energy: -16.588
tors. eta vs tors. theta energy: -33.144
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: 2
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -344.917243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.917243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.917243 (E_RNA)
where:
Base-Base interactions energy: -235.176
where: short stacking energy: -92.782
Base-Backbone interact. energy: 1.175
local terms energy: -110.916982
where:
bonds (distance) C4'-P energy: -21.390
bonds (distance) P-C4' energy: -23.025
flat angles C4'-P-C4' energy: -24.215
flat angles P-C4'-P energy: -15.745
tors. eta vs tors. theta energy: -26.542
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: 4
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -329.334312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.334312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.334312 (E_RNA)
where:
Base-Base interactions energy: -224.383
where: short stacking energy: -101.370
Base-Backbone interact. energy: 1.878
local terms energy: -106.829171
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -20.856
flat angles C4'-P-C4' energy: -19.854
flat angles P-C4'-P energy: -18.303
tors. eta vs tors. theta energy: -32.910
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: 3
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -286.844393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.844393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.844393 (E_RNA)
where:
Base-Base interactions energy: -181.978
where: short stacking energy: -82.676
Base-Backbone interact. energy: -0.857
local terms energy: -104.009587
where:
bonds (distance) C4'-P energy: -21.526
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -22.113
flat angles P-C4'-P energy: -14.274
tors. eta vs tors. theta energy: -24.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -203.615409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.615409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.615409 (E_RNA)
where:
Base-Base interactions energy: -128.092
where: short stacking energy: -56.099
Base-Backbone interact. energy: -1.601
local terms energy: -73.923131
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -12.346
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: 7
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -108.289530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.289530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.289530 (E_RNA)
where:
Base-Base interactions energy: -39.448
where: short stacking energy: -26.904
Base-Backbone interact. energy: 0.620
local terms energy: -69.461664
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: -2.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -119.654438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.654438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.654438 (E_RNA)
where:
Base-Base interactions energy: -39.445
where: short stacking energy: -32.505
Base-Backbone interact. energy: -1.808
local terms energy: -78.401164
where:
bonds (distance) C4'-P energy: -23.265
bonds (distance) P-C4' energy: -21.206
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -0.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -101.496360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.496360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.496360 (E_RNA)
where:
Base-Base interactions energy: -37.973
where: short stacking energy: -32.041
Base-Backbone interact. energy: -0.062
local terms energy: -63.461829
where:
bonds (distance) C4'-P energy: -17.026
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -20.061
flat angles P-C4'-P energy: -3.672
tors. eta vs tors. theta energy: -0.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -391.655880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.655880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.655880 (E_RNA)
where:
Base-Base interactions energy: -274.250
where: short stacking energy: -110.853
Base-Backbone interact. energy: 0.421
local terms energy: -117.826006
where:
bonds (distance) C4'-P energy: -22.459
bonds (distance) P-C4' energy: -23.659
flat angles C4'-P-C4' energy: -22.103
flat angles P-C4'-P energy: -15.518
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: 2, replica: 5
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -385.737983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.737983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.737983 (E_RNA)
where:
Base-Base interactions energy: -273.585
where: short stacking energy: -109.471
Base-Backbone interact. energy: -0.068
local terms energy: -112.084392
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -23.616
flat angles C4'-P-C4' energy: -22.618
flat angles P-C4'-P energy: -15.379
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: 3, replica: 10
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -374.685505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.685505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.685505 (E_RNA)
where:
Base-Base interactions energy: -254.703
where: short stacking energy: -112.215
Base-Backbone interact. energy: -0.590
local terms energy: -119.392711
where:
bonds (distance) C4'-P energy: -25.023
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -25.389
flat angles P-C4'-P energy: -16.816
tors. eta vs tors. theta energy: -34.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -356.957962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.957962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.957962 (E_RNA)
where:
Base-Base interactions energy: -246.596
where: short stacking energy: -97.141
Base-Backbone interact. energy: -0.045
local terms energy: -110.317147
where:
bonds (distance) C4'-P energy: -20.013
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -25.459
flat angles P-C4'-P energy: -15.877
tors. eta vs tors. theta energy: -29.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -287.095818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.095818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.095818 (E_RNA)
where:
Base-Base interactions energy: -198.670
where: short stacking energy: -81.264
Base-Backbone interact. energy: -0.049
local terms energy: -88.377059
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -19.627
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -13.433
tors. eta vs tors. theta energy: -24.181
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: 4
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -285.661091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.661091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.661091 (E_RNA)
where:
Base-Base interactions energy: -193.308
where: short stacking energy: -89.284
Base-Backbone interact. energy: 2.849
local terms energy: -95.202001
where:
bonds (distance) C4'-P energy: -19.182
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -20.514
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -26.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -214.126359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.126359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.126359 (E_RNA)
where:
Base-Base interactions energy: -125.793
where: short stacking energy: -65.732
Base-Backbone interact. energy: -0.149
local terms energy: -88.184093
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -25.219
flat angles C4'-P-C4' energy: -20.020
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -14.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -111.955547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.955547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.955547 (E_RNA)
where:
Base-Base interactions energy: -42.994
where: short stacking energy: -18.792
Base-Backbone interact. energy: -1.963
local terms energy: -66.998544
where:
bonds (distance) C4'-P energy: -20.721
bonds (distance) P-C4' energy: -23.056
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: 0.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -117.383099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.383099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.383099 (E_RNA)
where:
Base-Base interactions energy: -46.665
where: short stacking energy: -43.485
Base-Backbone interact. energy: -0.432
local terms energy: -70.285724
where:
bonds (distance) C4'-P energy: -21.475
bonds (distance) P-C4' energy: -17.075
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -9.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -125.507807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.507807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.507807 (E_RNA)
where:
Base-Base interactions energy: -64.918
where: short stacking energy: -54.424
Base-Backbone interact. energy: 2.080
local terms energy: -62.669957
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -10.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -387.455768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.455768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.455768 (E_RNA)
where:
Base-Base interactions energy: -268.630
where: short stacking energy: -111.417
Base-Backbone interact. energy: -0.616
local terms energy: -118.210039
where:
bonds (distance) C4'-P energy: -20.710
bonds (distance) P-C4' energy: -23.194
flat angles C4'-P-C4' energy: -25.602
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -36.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -370.774745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.774745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.774745 (E_RNA)
where:
Base-Base interactions energy: -254.475
where: short stacking energy: -113.393
Base-Backbone interact. energy: -0.100
local terms energy: -116.200592
where:
bonds (distance) C4'-P energy: -23.389
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -25.814
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -34.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -382.362246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.362246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.362246 (E_RNA)
where:
Base-Base interactions energy: -268.229
where: short stacking energy: -106.382
Base-Backbone interact. energy: -0.181
local terms energy: -113.952970
where:
bonds (distance) C4'-P energy: -23.501
bonds (distance) P-C4' energy: -20.514
flat angles C4'-P-C4' energy: -24.556
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -34.451
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: 3
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -298.830669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.830669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.830669 (E_RNA)
where:
Base-Base interactions energy: -188.619
where: short stacking energy: -82.796
Base-Backbone interact. energy: -0.450
local terms energy: -109.761878
where:
bonds (distance) C4'-P energy: -24.085
bonds (distance) P-C4' energy: -23.164
flat angles C4'-P-C4' energy: -21.804
flat angles P-C4'-P energy: -19.147
tors. eta vs tors. theta energy: -21.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -355.307933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.307933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.307933 (E_RNA)
where:
Base-Base interactions energy: -242.885
where: short stacking energy: -109.599
Base-Backbone interact. energy: -0.016
local terms energy: -112.407616
where:
bonds (distance) C4'-P energy: -21.248
bonds (distance) P-C4' energy: -22.340
flat angles C4'-P-C4' energy: -23.037
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -32.392
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: 4
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -304.868576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.868576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.868576 (E_RNA)
where:
Base-Base interactions energy: -208.598
where: short stacking energy: -87.208
Base-Backbone interact. energy: -0.880
local terms energy: -95.390274
where:
bonds (distance) C4'-P energy: -16.742
bonds (distance) P-C4' energy: -19.799
flat angles C4'-P-C4' energy: -18.896
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -30.379
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: 8
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -254.232306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.232306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.232306 (E_RNA)
where:
Base-Base interactions energy: -165.998
where: short stacking energy: -72.855
Base-Backbone interact. energy: -0.110
local terms energy: -88.124186
where:
bonds (distance) C4'-P energy: -19.762
bonds (distance) P-C4' energy: -22.857
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -15.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -111.374624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.374624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.374624 (E_RNA)
where:
Base-Base interactions energy: -32.926
where: short stacking energy: -32.926
Base-Backbone interact. energy: -0.219
local terms energy: -78.229160
where:
bonds (distance) C4'-P energy: -20.731
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -19.624
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -6.433
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: 9, replica: 7
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -122.837105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.837105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.837105 (E_RNA)
where:
Base-Base interactions energy: -35.605
where: short stacking energy: -36.605
Base-Backbone interact. energy: -0.352
local terms energy: -86.880126
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -22.259
flat angles C4'-P-C4' energy: -21.449
flat angles P-C4'-P energy: -14.917
tors. eta vs tors. theta energy: -10.607
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: 6
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -114.331390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.331390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.331390 (E_RNA)
where:
Base-Base interactions energy: -57.563
where: short stacking energy: -40.085
Base-Backbone interact. energy: 1.635
local terms energy: -58.402742
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -20.949
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -5.844
tors. eta vs tors. theta energy: -5.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -393.590525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.590525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.590525 (E_RNA)
where:
Base-Base interactions energy: -276.863
where: short stacking energy: -118.480
Base-Backbone interact. energy: -0.211
local terms energy: -116.515839
where:
bonds (distance) C4'-P energy: -18.714
bonds (distance) P-C4' energy: -20.235
flat angles C4'-P-C4' energy: -24.382
flat angles P-C4'-P energy: -17.028
tors. eta vs tors. theta energy: -36.157
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: 10
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -373.951025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.951025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.951025 (E_RNA)
where:
Base-Base interactions energy: -260.782
where: short stacking energy: -114.780
Base-Backbone interact. energy: -0.002
local terms energy: -113.166767
where:
bonds (distance) C4'-P energy: -17.885
bonds (distance) P-C4' energy: -20.951
flat angles C4'-P-C4' energy: -23.928
flat angles P-C4'-P energy: -17.042
tors. eta vs tors. theta energy: -33.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -381.195842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.195842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.195842 (E_RNA)
where:
Base-Base interactions energy: -268.900
where: short stacking energy: -106.329
Base-Backbone interact. energy: -0.493
local terms energy: -111.803683
where:
bonds (distance) C4'-P energy: -20.497
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -24.514
flat angles P-C4'-P energy: -15.310
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: 4, replica: 3
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -310.741695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.741695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.741695 (E_RNA)
where:
Base-Base interactions energy: -216.671
where: short stacking energy: -85.776
Base-Backbone interact. energy: -0.074
local terms energy: -93.996390
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -23.369
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -24.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -344.619662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.619662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.619662 (E_RNA)
where:
Base-Base interactions energy: -232.900
where: short stacking energy: -97.121
Base-Backbone interact. energy: -0.060
local terms energy: -111.660191
where:
bonds (distance) C4'-P energy: -23.604
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -15.570
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: 4
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -302.358502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.358502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.358502 (E_RNA)
where:
Base-Base interactions energy: -200.297
where: short stacking energy: -85.039
Base-Backbone interact. energy: -0.781
local terms energy: -101.280880
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -18.430
tors. eta vs tors. theta energy: -25.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -243.807090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.807090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.807090 (E_RNA)
where:
Base-Base interactions energy: -158.895
where: short stacking energy: -77.538
Base-Backbone interact. energy: -0.062
local terms energy: -84.849991
where:
bonds (distance) C4'-P energy: -20.945
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -18.853
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -142.470980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.470980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.470980 (E_RNA)
where:
Base-Base interactions energy: -62.749
where: short stacking energy: -41.883
Base-Backbone interact. energy: 0.397
local terms energy: -80.119488
where:
bonds (distance) C4'-P energy: -22.778
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -20.324
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -3.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -101.541378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.541378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.541378 (E_RNA)
where:
Base-Base interactions energy: -36.316
where: short stacking energy: -33.072
Base-Backbone interact. energy: -0.243
local terms energy: -64.982189
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -23.191
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: 0.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -105.775452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.775452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.775452 (E_RNA)
where:
Base-Base interactions energy: -43.643
where: short stacking energy: -20.350
Base-Backbone interact. energy: 0.969
local terms energy: -63.101926
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -20.603
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: 2.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -395.452857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.452857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.452857 (E_RNA)
where:
Base-Base interactions energy: -274.309
where: short stacking energy: -106.822
Base-Backbone interact. energy: -0.265
local terms energy: -120.879190
where:
bonds (distance) C4'-P energy: -19.345
bonds (distance) P-C4' energy: -22.790
flat angles C4'-P-C4' energy: -23.646
flat angles P-C4'-P energy: -18.231
tors. eta vs tors. theta energy: -36.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -387.674016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.674016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.674016 (E_RNA)
where:
Base-Base interactions energy: -273.731
where: short stacking energy: -109.705
Base-Backbone interact. energy: -0.046
local terms energy: -113.897464
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -21.147
flat angles C4'-P-C4' energy: -26.278
flat angles P-C4'-P energy: -14.050
tors. eta vs tors. theta energy: -34.752
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: 10
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -363.791599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.791599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.791599 (E_RNA)
where:
Base-Base interactions energy: -253.561
where: short stacking energy: -100.713
Base-Backbone interact. energy: -1.096
local terms energy: -109.134352
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -20.474
flat angles C4'-P-C4' energy: -25.448
flat angles P-C4'-P energy: -16.977
tors. eta vs tors. theta energy: -30.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -348.579136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.579136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.579136 (E_RNA)
where:
Base-Base interactions energy: -247.142
where: short stacking energy: -103.905
Base-Backbone interact. energy: -0.113
local terms energy: -101.324089
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -22.333
flat angles C4'-P-C4' energy: -23.732
flat angles P-C4'-P energy: -13.634
tors. eta vs tors. theta energy: -29.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -309.724694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.724694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.724694 (E_RNA)
where:
Base-Base interactions energy: -217.574
where: short stacking energy: -80.579
Base-Backbone interact. energy: -0.203
local terms energy: -91.948417
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -22.050
flat angles C4'-P-C4' energy: -21.029
flat angles P-C4'-P energy: -11.806
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: 6, replica: 4
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -295.770576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.770576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.770576 (E_RNA)
where:
Base-Base interactions energy: -203.498
where: short stacking energy: -97.857
Base-Backbone interact. energy: -0.224
local terms energy: -92.047808
where:
bonds (distance) C4'-P energy: -20.527
bonds (distance) P-C4' energy: -16.158
flat angles C4'-P-C4' energy: -20.168
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -26.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -227.701067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.701067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.701067 (E_RNA)
where:
Base-Base interactions energy: -136.546
where: short stacking energy: -72.994
Base-Backbone interact. energy: 1.451
local terms energy: -92.606380
where:
bonds (distance) C4'-P energy: -22.234
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -20.506
flat angles P-C4'-P energy: -15.685
tors. eta vs tors. theta energy: -17.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -125.501948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.501948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.501948 (E_RNA)
where:
Base-Base interactions energy: -52.833
where: short stacking energy: -46.350
Base-Backbone interact. energy: -0.114
local terms energy: -72.554966
where:
bonds (distance) C4'-P energy: -19.808
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: -4.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -112.898849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.898849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.898849 (E_RNA)
where:
Base-Base interactions energy: -40.081
where: short stacking energy: -36.194
Base-Backbone interact. energy: -0.324
local terms energy: -72.493767
where:
bonds (distance) C4'-P energy: -23.103
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -1.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -102.972086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.972086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.972086 (E_RNA)
where:
Base-Base interactions energy: -30.191
where: short stacking energy: -27.921
Base-Backbone interact. energy: -0.616
local terms energy: -72.164641
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -21.646
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -0.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -393.167342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.167342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.167342 (E_RNA)
where:
Base-Base interactions energy: -280.662
where: short stacking energy: -112.374
Base-Backbone interact. energy: -0.001
local terms energy: -112.504263
where:
bonds (distance) C4'-P energy: -21.209
bonds (distance) P-C4' energy: -20.844
flat angles C4'-P-C4' energy: -22.548
flat angles P-C4'-P energy: -14.845
tors. eta vs tors. theta energy: -33.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -381.081639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.081639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.081639 (E_RNA)
where:
Base-Base interactions energy: -269.543
where: short stacking energy: -108.634
Base-Backbone interact. energy: -0.010
local terms energy: -111.528433
where:
bonds (distance) C4'-P energy: -20.785
bonds (distance) P-C4' energy: -19.527
flat angles C4'-P-C4' energy: -21.488
flat angles P-C4'-P energy: -14.039
tors. eta vs tors. theta energy: -35.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -364.246634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.246634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.246634 (E_RNA)
where:
Base-Base interactions energy: -252.406
where: short stacking energy: -107.284
Base-Backbone interact. energy: -1.410
local terms energy: -110.430419
where:
bonds (distance) C4'-P energy: -22.854
bonds (distance) P-C4' energy: -16.528
flat angles C4'-P-C4' energy: -21.179
flat angles P-C4'-P energy: -16.473
tors. eta vs tors. theta energy: -33.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -354.972921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.972921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.972921 (E_RNA)
where:
Base-Base interactions energy: -249.283
where: short stacking energy: -100.253
Base-Backbone interact. energy: -0.001
local terms energy: -105.688287
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -16.877
tors. eta vs tors. theta energy: -31.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -314.162931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.162931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.162931 (E_RNA)
where:
Base-Base interactions energy: -212.252
where: short stacking energy: -83.611
Base-Backbone interact. energy: -0.429
local terms energy: -101.481568
where:
bonds (distance) C4'-P energy: -19.872
bonds (distance) P-C4' energy: -19.147
flat angles C4'-P-C4' energy: -20.755
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -28.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -297.259789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.259789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.259789 (E_RNA)
where:
Base-Base interactions energy: -205.181
where: short stacking energy: -95.149
Base-Backbone interact. energy: -0.109
local terms energy: -91.969866
where:
bonds (distance) C4'-P energy: -20.441
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -13.052
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: 7, replica: 8
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -241.907511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.907511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.907511 (E_RNA)
where:
Base-Base interactions energy: -155.777
where: short stacking energy: -67.327
Base-Backbone interact. energy: 1.173
local terms energy: -87.303150
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -18.740
flat angles C4'-P-C4' energy: -20.508
flat angles P-C4'-P energy: -15.501
tors. eta vs tors. theta energy: -16.566
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: 318
Temperature: 1.250000
Total energy: -116.563892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.563892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.563892 (E_RNA)
where:
Base-Base interactions energy: -44.238
where: short stacking energy: -43.558
Base-Backbone interact. energy: -0.094
local terms energy: -72.231479
where:
bonds (distance) C4'-P energy: -19.152
bonds (distance) P-C4' energy: -21.936
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -10.966
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: 9, replica: 6
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -124.704525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.704525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.704525 (E_RNA)
where:
Base-Base interactions energy: -60.084
where: short stacking energy: -38.749
Base-Backbone interact. energy: -0.651
local terms energy: -63.969272
where:
bonds (distance) C4'-P energy: -18.334
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -4.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -102.384169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.384169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.384169 (E_RNA)
where:
Base-Base interactions energy: -33.115
where: short stacking energy: -29.857
Base-Backbone interact. energy: 0.417
local terms energy: -69.686793
where:
bonds (distance) C4'-P energy: -19.726
bonds (distance) P-C4' energy: -21.271
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -3.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -387.209674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.209674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.209674 (E_RNA)
where:
Base-Base interactions energy: -275.784
where: short stacking energy: -105.369
Base-Backbone interact. energy: 0.872
local terms energy: -112.298146
where:
bonds (distance) C4'-P energy: -21.083
bonds (distance) P-C4' energy: -19.680
flat angles C4'-P-C4' energy: -21.904
flat angles P-C4'-P energy: -17.726
tors. eta vs tors. theta energy: -31.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -383.608594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.608594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.608594 (E_RNA)
where:
Base-Base interactions energy: -272.880
where: short stacking energy: -106.690
Base-Backbone interact. energy: -0.010
local terms energy: -110.717907
where:
bonds (distance) C4'-P energy: -21.733
bonds (distance) P-C4' energy: -22.242
flat angles C4'-P-C4' energy: -20.675
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -32.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -372.268426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.268426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.268426 (E_RNA)
where:
Base-Base interactions energy: -260.253
where: short stacking energy: -112.842
Base-Backbone interact. energy: -0.015
local terms energy: -112.000133
where:
bonds (distance) C4'-P energy: -19.836
bonds (distance) P-C4' energy: -17.765
flat angles C4'-P-C4' energy: -23.773
flat angles P-C4'-P energy: -15.722
tors. eta vs tors. theta energy: -34.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -363.015539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.015539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.015539 (E_RNA)
where:
Base-Base interactions energy: -252.977
where: short stacking energy: -110.852
Base-Backbone interact. energy: -0.312
local terms energy: -109.727022
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -22.222
flat angles C4'-P-C4' energy: -24.134
flat angles P-C4'-P energy: -16.817
tors. eta vs tors. theta energy: -33.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -310.478549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.478549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.478549 (E_RNA)
where:
Base-Base interactions energy: -208.170
where: short stacking energy: -88.393
Base-Backbone interact. energy: -0.028
local terms energy: -102.280031
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -20.305
tors. eta vs tors. theta energy: -25.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -261.841255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.841255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.841255 (E_RNA)
where:
Base-Base interactions energy: -165.004
where: short stacking energy: -86.188
Base-Backbone interact. energy: -0.085
local terms energy: -96.751540
where:
bonds (distance) C4'-P energy: -19.447
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -22.804
flat angles P-C4'-P energy: -15.520
tors. eta vs tors. theta energy: -23.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -263.443180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.443180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.443180 (E_RNA)
where:
Base-Base interactions energy: -175.871
where: short stacking energy: -67.401
Base-Backbone interact. energy: -1.249
local terms energy: -86.323728
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -18.671
flat angles C4'-P-C4' energy: -20.769
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -17.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -115.591656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.591656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.591656 (E_RNA)
where:
Base-Base interactions energy: -52.930
where: short stacking energy: -44.966
Base-Backbone interact. energy: 0.451
local terms energy: -63.112607
where:
bonds (distance) C4'-P energy: -18.810
bonds (distance) P-C4' energy: -20.177
flat angles C4'-P-C4' energy: -19.841
flat angles P-C4'-P energy: -5.212
tors. eta vs tors. theta energy: 0.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -110.166242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.166242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.166242 (E_RNA)
where:
Base-Base interactions energy: -40.834
where: short stacking energy: -35.606
Base-Backbone interact. energy: -0.028
local terms energy: -69.304521
where:
bonds (distance) C4'-P energy: -22.381
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -1.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -93.693591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.693591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.693591 (E_RNA)
where:
Base-Base interactions energy: -37.106
where: short stacking energy: -37.106
Base-Backbone interact. energy: -1.247
local terms energy: -55.339621
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -1.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -388.294129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.294129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.294129 (E_RNA)
where:
Base-Base interactions energy: -273.139
where: short stacking energy: -117.311
Base-Backbone interact. energy: -0.012
local terms energy: -115.142593
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -23.132
flat angles C4'-P-C4' energy: -24.883
flat angles P-C4'-P energy: -17.479
tors. eta vs tors. theta energy: -33.860
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: 5
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -388.076293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.076293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.076293 (E_RNA)
where:
Base-Base interactions energy: -273.200
where: short stacking energy: -115.699
Base-Backbone interact. energy: 1.134
local terms energy: -116.010314
where:
bonds (distance) C4'-P energy: -19.397
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -24.177
flat angles P-C4'-P energy: -17.137
tors. eta vs tors. theta energy: -35.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -369.602306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.602306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.602306 (E_RNA)
where:
Base-Base interactions energy: -254.392
where: short stacking energy: -105.858
Base-Backbone interact. energy: 0.117
local terms energy: -115.327564
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -25.523
flat angles C4'-P-C4' energy: -26.206
flat angles P-C4'-P energy: -16.313
tors. eta vs tors. theta energy: -31.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -364.299298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.299298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.299298 (E_RNA)
where:
Base-Base interactions energy: -251.526
where: short stacking energy: -106.030
Base-Backbone interact. energy: 1.370
local terms energy: -114.143992
where:
bonds (distance) C4'-P energy: -17.028
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -25.817
flat angles P-C4'-P energy: -17.891
tors. eta vs tors. theta energy: -30.348
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: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -284.144005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.144005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.144005 (E_RNA)
where:
Base-Base interactions energy: -184.152
where: short stacking energy: -93.005
Base-Backbone interact. energy: -0.093
local terms energy: -99.899223
where:
bonds (distance) C4'-P energy: -16.005
bonds (distance) P-C4' energy: -24.449
flat angles C4'-P-C4' energy: -21.828
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -26.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -269.440732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.440732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.440732 (E_RNA)
where:
Base-Base interactions energy: -170.012
where: short stacking energy: -85.173
Base-Backbone interact. energy: -0.001
local terms energy: -99.427845
where:
bonds (distance) C4'-P energy: -20.308
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -23.642
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -27.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -244.463180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.463180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.463180 (E_RNA)
where:
Base-Base interactions energy: -151.017
where: short stacking energy: -63.767
Base-Backbone interact. energy: -0.106
local terms energy: -93.340006
where:
bonds (distance) C4'-P energy: -24.337
bonds (distance) P-C4' energy: -20.693
flat angles C4'-P-C4' energy: -19.003
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -16.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -107.228628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.228628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.228628 (E_RNA)
where:
Base-Base interactions energy: -42.918
where: short stacking energy: -42.765
Base-Backbone interact. energy: -0.229
local terms energy: -64.080917
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -115.759351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.759351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.759351 (E_RNA)
where:
Base-Base interactions energy: -57.826
where: short stacking energy: -51.661
Base-Backbone interact. energy: 0.095
local terms energy: -58.027536
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -6.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -114.108527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.108527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.108527 (E_RNA)
where:
Base-Base interactions energy: -29.164
where: short stacking energy: -24.570
Base-Backbone interact. energy: -0.663
local terms energy: -84.281480
where:
bonds (distance) C4'-P energy: -23.670
bonds (distance) P-C4' energy: -20.386
flat angles C4'-P-C4' energy: -20.865
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -5.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -392.388124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.388124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.388124 (E_RNA)
where:
Base-Base interactions energy: -273.953
where: short stacking energy: -118.740
Base-Backbone interact. energy: 0.196
local terms energy: -118.631091
where:
bonds (distance) C4'-P energy: -23.049
bonds (distance) P-C4' energy: -18.953
flat angles C4'-P-C4' energy: -25.450
flat angles P-C4'-P energy: -18.554
tors. eta vs tors. theta energy: -32.626
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: 10
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -372.073972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.073972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.073972 (E_RNA)
where:
Base-Base interactions energy: -260.146
where: short stacking energy: -111.685
Base-Backbone interact. energy: -0.955
local terms energy: -110.973347
where:
bonds (distance) C4'-P energy: -21.638
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -23.197
flat angles P-C4'-P energy: -16.209
tors. eta vs tors. theta energy: -31.343
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: 3, replica: 5
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -383.411391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.411391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.411391 (E_RNA)
where:
Base-Base interactions energy: -268.688
where: short stacking energy: -97.406
Base-Backbone interact. energy: -0.032
local terms energy: -114.691430
where:
bonds (distance) C4'-P energy: -25.652
bonds (distance) P-C4' energy: -22.083
flat angles C4'-P-C4' energy: -23.091
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -30.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -367.198562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.198562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.198562 (E_RNA)
where:
Base-Base interactions energy: -254.715
where: short stacking energy: -105.284
Base-Backbone interact. energy: -0.242
local terms energy: -112.241722
where:
bonds (distance) C4'-P energy: -19.054
bonds (distance) P-C4' energy: -20.062
flat angles C4'-P-C4' energy: -21.191
flat angles P-C4'-P energy: -19.589
tors. eta vs tors. theta energy: -32.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -286.189202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.189202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.189202 (E_RNA)
where:
Base-Base interactions energy: -189.741
where: short stacking energy: -87.213
Base-Backbone interact. energy: -0.056
local terms energy: -96.392751
where:
bonds (distance) C4'-P energy: -19.915
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -18.756
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -27.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -262.970866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.970866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.970866 (E_RNA)
where:
Base-Base interactions energy: -171.161
where: short stacking energy: -79.611
Base-Backbone interact. energy: -0.057
local terms energy: -91.753169
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -19.089
flat angles C4'-P-C4' energy: -26.716
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -23.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -259.020121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.020121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.020121 (E_RNA)
where:
Base-Base interactions energy: -167.839
where: short stacking energy: -73.275
Base-Backbone interact. energy: -0.413
local terms energy: -90.768025
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -21.006
flat angles C4'-P-C4' energy: -19.323
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -22.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -104.462472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.462472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.462472 (E_RNA)
where:
Base-Base interactions energy: -48.562
where: short stacking energy: -32.186
Base-Backbone interact. energy: -0.175
local terms energy: -55.724523
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -0.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -129.714214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.714214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.714214 (E_RNA)
where:
Base-Base interactions energy: -60.147
where: short stacking energy: -41.852
Base-Backbone interact. energy: -0.193
local terms energy: -69.373550
where:
bonds (distance) C4'-P energy: -18.722
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -8.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -106.395348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.395348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.395348 (E_RNA)
where:
Base-Base interactions energy: -46.800
where: short stacking energy: -33.667
Base-Backbone interact. energy: -0.266
local terms energy: -59.329160
where:
bonds (distance) C4'-P energy: -20.813
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -3.451
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -393.999904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.999904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.999904 (E_RNA)
where:
Base-Base interactions energy: -275.728
where: short stacking energy: -114.782
Base-Backbone interact. energy: -0.004
local terms energy: -118.268682
where:
bonds (distance) C4'-P energy: -22.751
bonds (distance) P-C4' energy: -21.365
flat angles C4'-P-C4' energy: -23.401
flat angles P-C4'-P energy: -18.484
tors. eta vs tors. theta energy: -32.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -368.515640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.515640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.515640 (E_RNA)
where:
Base-Base interactions energy: -259.763
where: short stacking energy: -108.076
Base-Backbone interact. energy: -0.584
local terms energy: -108.168721
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -24.740
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -33.426
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: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -386.759265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.759265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.759265 (E_RNA)
where:
Base-Base interactions energy: -263.038
where: short stacking energy: -110.257
Base-Backbone interact. energy: -0.214
local terms energy: -123.507311
where:
bonds (distance) C4'-P energy: -22.921
bonds (distance) P-C4' energy: -24.229
flat angles C4'-P-C4' energy: -23.528
flat angles P-C4'-P energy: -20.699
tors. eta vs tors. theta energy: -32.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -359.224230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.224230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.224230 (E_RNA)
where:
Base-Base interactions energy: -248.298
where: short stacking energy: -109.279
Base-Backbone interact. energy: -0.212
local terms energy: -110.714216
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -22.730
flat angles C4'-P-C4' energy: -22.871
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -33.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -267.881233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.881233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.881233 (E_RNA)
where:
Base-Base interactions energy: -166.890
where: short stacking energy: -73.568
Base-Backbone interact. energy: -0.218
local terms energy: -100.774161
where:
bonds (distance) C4'-P energy: -20.329
bonds (distance) P-C4' energy: -23.564
flat angles C4'-P-C4' energy: -21.473
flat angles P-C4'-P energy: -15.459
tors. eta vs tors. theta energy: -19.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -283.843355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.843355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.843355 (E_RNA)
where:
Base-Base interactions energy: -182.463
where: short stacking energy: -86.026
Base-Backbone interact. energy: -0.775
local terms energy: -100.605405
where:
bonds (distance) C4'-P energy: -25.636
bonds (distance) P-C4' energy: -22.528
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -23.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -234.175989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.175989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.175989 (E_RNA)
where:
Base-Base interactions energy: -166.459
where: short stacking energy: -59.559
Base-Backbone interact. energy: -0.441
local terms energy: -67.276347
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -10.834
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: 7
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -114.415952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.415952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.415952 (E_RNA)
where:
Base-Base interactions energy: -53.085
where: short stacking energy: -56.412
Base-Backbone interact. energy: -0.679
local terms energy: -60.652466
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -18.708
flat angles P-C4'-P energy: -6.291
tors. eta vs tors. theta energy: -6.061
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: 322
Temperature: 1.300000
Total energy: -112.448914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.448914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.448914 (E_RNA)
where:
Base-Base interactions energy: -49.107
where: short stacking energy: -38.304
Base-Backbone interact. energy: 0.243
local terms energy: -63.584856
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -17.562
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -1.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -103.273338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.273338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.273338 (E_RNA)
where:
Base-Base interactions energy: -46.044
where: short stacking energy: -27.934
Base-Backbone interact. energy: -0.567
local terms energy: -56.661642
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -22.761
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: 1.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -398.480176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.480176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.480176 (E_RNA)
where:
Base-Base interactions energy: -280.454
where: short stacking energy: -115.510
Base-Backbone interact. energy: -0.617
local terms energy: -117.409456
where:
bonds (distance) C4'-P energy: -21.996
bonds (distance) P-C4' energy: -19.897
flat angles C4'-P-C4' energy: -24.311
flat angles P-C4'-P energy: -18.129
tors. eta vs tors. theta energy: -33.076
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: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -391.113014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.113014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.113014 (E_RNA)
where:
Base-Base interactions energy: -276.476
where: short stacking energy: -108.473
Base-Backbone interact. energy: -0.019
local terms energy: -114.618838
where:
bonds (distance) C4'-P energy: -22.979
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -21.606
flat angles P-C4'-P energy: -16.752
tors. eta vs tors. theta energy: -34.251
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: 10
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -358.365548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.365548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.365548 (E_RNA)
where:
Base-Base interactions energy: -258.508
where: short stacking energy: -103.842
Base-Backbone interact. energy: -0.117
local terms energy: -99.740572
where:
bonds (distance) C4'-P energy: -18.502
bonds (distance) P-C4' energy: -20.657
flat angles C4'-P-C4' energy: -21.557
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -26.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -362.470759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.470759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.470759 (E_RNA)
where:
Base-Base interactions energy: -250.242
where: short stacking energy: -107.198
Base-Backbone interact. energy: -0.592
local terms energy: -111.636638
where:
bonds (distance) C4'-P energy: -21.222
bonds (distance) P-C4' energy: -16.807
flat angles C4'-P-C4' energy: -23.224
flat angles P-C4'-P energy: -17.665
tors. eta vs tors. theta energy: -32.718
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: 8
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -275.268864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.268864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.268864 (E_RNA)
where:
Base-Base interactions energy: -172.755
where: short stacking energy: -84.387
Base-Backbone interact. energy: -0.128
local terms energy: -102.385715
where:
bonds (distance) C4'-P energy: -19.686
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -26.450
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -26.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -299.245569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.245569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.245569 (E_RNA)
where:
Base-Base interactions energy: -207.843
where: short stacking energy: -89.190
Base-Backbone interact. energy: -0.184
local terms energy: -91.218718
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -19.430
flat angles C4'-P-C4' energy: -19.379
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -25.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -274.536083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.536083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.536083 (E_RNA)
where:
Base-Base interactions energy: -188.191
where: short stacking energy: -74.068
Base-Backbone interact. energy: -0.111
local terms energy: -86.233969
where:
bonds (distance) C4'-P energy: -21.661
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -18.940
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -16.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -126.333956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.333956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.333956 (E_RNA)
where:
Base-Base interactions energy: -52.762
where: short stacking energy: -44.038
Base-Backbone interact. energy: -0.937
local terms energy: -72.634653
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -20.742
flat angles C4'-P-C4' energy: -23.304
flat angles P-C4'-P energy: -5.775
tors. eta vs tors. theta energy: -6.769
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: 7
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -115.930280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.930280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.930280 (E_RNA)
where:
Base-Base interactions energy: -51.183
where: short stacking energy: -45.973
Base-Backbone interact. energy: -0.226
local terms energy: -64.521220
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -8.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -112.752464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.752464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.752464 (E_RNA)
where:
Base-Base interactions energy: -43.250
where: short stacking energy: -43.250
Base-Backbone interact. energy: -0.279
local terms energy: -69.223840
where:
bonds (distance) C4'-P energy: -20.038
bonds (distance) P-C4' energy: -15.834
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -5.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -389.261434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.261434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.261434 (E_RNA)
where:
Base-Base interactions energy: -273.109
where: short stacking energy: -111.161
Base-Backbone interact. energy: -0.001
local terms energy: -116.151849
where:
bonds (distance) C4'-P energy: -22.395
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -23.394
flat angles P-C4'-P energy: -17.424
tors. eta vs tors. theta energy: -31.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -383.791935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.791935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.791935 (E_RNA)
where:
Base-Base interactions energy: -274.019
where: short stacking energy: -103.947
Base-Backbone interact. energy: -0.339
local terms energy: -109.434329
where:
bonds (distance) C4'-P energy: -19.475
bonds (distance) P-C4' energy: -24.018
flat angles C4'-P-C4' energy: -20.162
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -35.067
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: 3, replica: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -369.857053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.857053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.857053 (E_RNA)
where:
Base-Base interactions energy: -257.737
where: short stacking energy: -103.584
Base-Backbone interact. energy: -0.004
local terms energy: -112.116267
where:
bonds (distance) C4'-P energy: -19.088
bonds (distance) P-C4' energy: -19.783
flat angles C4'-P-C4' energy: -23.426
flat angles P-C4'-P energy: -16.389
tors. eta vs tors. theta energy: -33.431
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: 10
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -362.004985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.004985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.004985 (E_RNA)
where:
Base-Base interactions energy: -247.784
where: short stacking energy: -104.632
Base-Backbone interact. energy: -0.088
local terms energy: -114.132701
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -20.932
flat angles C4'-P-C4' energy: -26.015
flat angles P-C4'-P energy: -18.342
tors. eta vs tors. theta energy: -33.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -278.322064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.322064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.322064 (E_RNA)
where:
Base-Base interactions energy: -191.200
where: short stacking energy: -77.613
Base-Backbone interact. energy: -0.010
local terms energy: -87.112068
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -17.776
flat angles C4'-P-C4' energy: -18.958
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -21.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -273.879205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.879205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.879205 (E_RNA)
where:
Base-Base interactions energy: -170.045
where: short stacking energy: -87.426
Base-Backbone interact. energy: -0.293
local terms energy: -103.541840
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -20.275
flat angles C4'-P-C4' energy: -23.936
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -27.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -249.868960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.868960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.868960 (E_RNA)
where:
Base-Base interactions energy: -168.549
where: short stacking energy: -75.874
Base-Backbone interact. energy: -0.576
local terms energy: -80.744528
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -18.336
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -19.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -114.709670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.709670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.709670 (E_RNA)
where:
Base-Base interactions energy: -41.438
where: short stacking energy: -40.307
Base-Backbone interact. energy: 1.122
local terms energy: -74.393132
where:
bonds (distance) C4'-P energy: -21.753
bonds (distance) P-C4' energy: -20.052
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -4.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -98.899980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.899980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.899980 (E_RNA)
where:
Base-Base interactions energy: -30.870
where: short stacking energy: -26.394
Base-Backbone interact. energy: 0.943
local terms energy: -68.972055
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -22.547
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -2.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -146.476608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.476608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.476608 (E_RNA)
where:
Base-Base interactions energy: -86.704
where: short stacking energy: -37.129
Base-Backbone interact. energy: -0.731
local terms energy: -59.041117
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -8.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -392.823528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.823528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.823528 (E_RNA)
where:
Base-Base interactions energy: -274.619
where: short stacking energy: -110.182
Base-Backbone interact. energy: -0.101
local terms energy: -118.103527
where:
bonds (distance) C4'-P energy: -20.879
bonds (distance) P-C4' energy: -21.932
flat angles C4'-P-C4' energy: -23.274
flat angles P-C4'-P energy: -15.603
tors. eta vs tors. theta energy: -36.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -392.641130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.641130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.641130 (E_RNA)
where:
Base-Base interactions energy: -280.218
where: short stacking energy: -107.458
Base-Backbone interact. energy: 0.106
local terms energy: -112.529360
where:
bonds (distance) C4'-P energy: -21.212
bonds (distance) P-C4' energy: -21.474
flat angles C4'-P-C4' energy: -24.752
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -33.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -367.212468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.212468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.212468 (E_RNA)
where:
Base-Base interactions energy: -255.548
where: short stacking energy: -104.340
Base-Backbone interact. energy: -0.662
local terms energy: -111.002675
where:
bonds (distance) C4'-P energy: -24.477
bonds (distance) P-C4' energy: -21.166
flat angles C4'-P-C4' energy: -21.808
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -29.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -347.705344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.705344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.705344 (E_RNA)
where:
Base-Base interactions energy: -246.329
where: short stacking energy: -107.911
Base-Backbone interact. energy: -0.217
local terms energy: -101.159074
where:
bonds (distance) C4'-P energy: -20.061
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -21.673
flat angles P-C4'-P energy: -16.544
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: 5, replica: 4
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -310.946201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.946201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.946201 (E_RNA)
where:
Base-Base interactions energy: -213.121
where: short stacking energy: -98.232
Base-Backbone interact. energy: -0.101
local terms energy: -97.725158
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -20.413
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -14.197
tors. eta vs tors. theta energy: -30.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -258.435612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.435612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.435612 (E_RNA)
where:
Base-Base interactions energy: -164.489
where: short stacking energy: -77.192
Base-Backbone interact. energy: -0.184
local terms energy: -93.762401
where:
bonds (distance) C4'-P energy: -19.253
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -23.062
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -21.565
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: 8
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -248.256484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.256484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.256484 (E_RNA)
where:
Base-Base interactions energy: -162.681
where: short stacking energy: -60.890
Base-Backbone interact. energy: 1.931
local terms energy: -87.506800
where:
bonds (distance) C4'-P energy: -22.480
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -21.432
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -13.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -106.888914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.888914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.888914 (E_RNA)
where:
Base-Base interactions energy: -38.226
where: short stacking energy: -32.645
Base-Backbone interact. energy: -0.327
local terms energy: -68.336095
where:
bonds (distance) C4'-P energy: -20.643
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -6.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -131.378466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.378466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.378466 (E_RNA)
where:
Base-Base interactions energy: -63.553
where: short stacking energy: -30.810
Base-Backbone interact. energy: -0.312
local terms energy: -67.513257
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -23.138
flat angles P-C4'-P energy: -3.471
tors. eta vs tors. theta energy: -1.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -106.831768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.831768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.831768 (E_RNA)
where:
Base-Base interactions energy: -38.278
where: short stacking energy: -36.751
Base-Backbone interact. energy: -0.866
local terms energy: -67.687634
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -18.944
flat angles C4'-P-C4' energy: -25.173
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -3.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -390.432257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.432257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.432257 (E_RNA)
where:
Base-Base interactions energy: -269.504
where: short stacking energy: -110.031
Base-Backbone interact. energy: -0.027
local terms energy: -120.901582
where:
bonds (distance) C4'-P energy: -23.877
bonds (distance) P-C4' energy: -22.235
flat angles C4'-P-C4' energy: -23.613
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: -33.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -384.357699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.357699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.357699 (E_RNA)
where:
Base-Base interactions energy: -268.885
where: short stacking energy: -106.790
Base-Backbone interact. energy: -0.057
local terms energy: -115.415604
where:
bonds (distance) C4'-P energy: -22.971
bonds (distance) P-C4' energy: -22.577
flat angles C4'-P-C4' energy: -20.928
flat angles P-C4'-P energy: -16.988
tors. eta vs tors. theta energy: -31.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -364.698676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.698676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.698676 (E_RNA)
where:
Base-Base interactions energy: -249.890
where: short stacking energy: -106.210
Base-Backbone interact. energy: -0.045
local terms energy: -114.764239
where:
bonds (distance) C4'-P energy: -18.804
bonds (distance) P-C4' energy: -20.398
flat angles C4'-P-C4' energy: -24.380
flat angles P-C4'-P energy: -17.272
tors. eta vs tors. theta energy: -33.911
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: 10
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -356.257399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.257399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.257399 (E_RNA)
where:
Base-Base interactions energy: -244.167
where: short stacking energy: -107.937
Base-Backbone interact. energy: -0.072
local terms energy: -112.018401
where:
bonds (distance) C4'-P energy: -18.510
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -22.057
flat angles P-C4'-P energy: -18.755
tors. eta vs tors. theta energy: -33.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -324.215458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.215458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.215458 (E_RNA)
where:
Base-Base interactions energy: -236.014
where: short stacking energy: -93.813
Base-Backbone interact. energy: -1.331
local terms energy: -86.870490
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -21.184
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -28.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -266.286523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.286523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.286523 (E_RNA)
where:
Base-Base interactions energy: -176.830
where: short stacking energy: -78.693
Base-Backbone interact. energy: -1.402
local terms energy: -88.054822
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -22.384
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -22.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -265.049348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.049348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.049348 (E_RNA)
where:
Base-Base interactions energy: -170.796
where: short stacking energy: -68.948
Base-Backbone interact. energy: 0.663
local terms energy: -94.915937
where:
bonds (distance) C4'-P energy: -20.640
bonds (distance) P-C4' energy: -20.194
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -21.381
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: 7
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -112.552456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.552456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.552456 (E_RNA)
where:
Base-Base interactions energy: -36.657
where: short stacking energy: -32.681
Base-Backbone interact. energy: -0.286
local terms energy: -75.609602
where:
bonds (distance) C4'-P energy: -21.662
bonds (distance) P-C4' energy: -20.254
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -18.475
tors. eta vs tors. theta energy: 0.274
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: 1
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -135.301983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.301983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.301983 (E_RNA)
where:
Base-Base interactions energy: -66.250
where: short stacking energy: -35.873
Base-Backbone interact. energy: -1.086
local terms energy: -67.965836
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -21.032
flat angles C4'-P-C4' energy: -17.970
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -4.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -104.965474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.965474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.965474 (E_RNA)
where:
Base-Base interactions energy: -34.862
where: short stacking energy: -24.323
Base-Backbone interact. energy: -0.702
local terms energy: -69.401480
where:
bonds (distance) C4'-P energy: -21.305
bonds (distance) P-C4' energy: -22.802
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: 1.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -388.336846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.336846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.336846 (E_RNA)
where:
Base-Base interactions energy: -268.735
where: short stacking energy: -110.993
Base-Backbone interact. energy: -0.011
local terms energy: -119.590925
where:
bonds (distance) C4'-P energy: -18.610
bonds (distance) P-C4' energy: -19.599
flat angles C4'-P-C4' energy: -24.240
flat angles P-C4'-P energy: -21.856
tors. eta vs tors. theta energy: -35.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -388.918744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.918744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.918744 (E_RNA)
where:
Base-Base interactions energy: -271.589
where: short stacking energy: -106.802
Base-Backbone interact. energy: -0.725
local terms energy: -116.605055
where:
bonds (distance) C4'-P energy: -20.565
bonds (distance) P-C4' energy: -22.686
flat angles C4'-P-C4' energy: -23.071
flat angles P-C4'-P energy: -15.793
tors. eta vs tors. theta energy: -34.491
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: 2
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -364.391913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.391913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.391913 (E_RNA)
where:
Base-Base interactions energy: -251.459
where: short stacking energy: -111.327
Base-Backbone interact. energy: -0.590
local terms energy: -112.343047
where:
bonds (distance) C4'-P energy: -19.235
bonds (distance) P-C4' energy: -22.436
flat angles C4'-P-C4' energy: -23.978
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -31.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -343.829908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.829908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.829908 (E_RNA)
where:
Base-Base interactions energy: -236.810
where: short stacking energy: -96.575
Base-Backbone interact. energy: -0.263
local terms energy: -106.756539
where:
bonds (distance) C4'-P energy: -21.445
bonds (distance) P-C4' energy: -18.896
flat angles C4'-P-C4' energy: -22.775
flat angles P-C4'-P energy: -16.327
tors. eta vs tors. theta energy: -27.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -321.856650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.856650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.856650 (E_RNA)
where:
Base-Base interactions energy: -218.883
where: short stacking energy: -94.539
Base-Backbone interact. energy: -0.009
local terms energy: -102.964532
where:
bonds (distance) C4'-P energy: -23.712
bonds (distance) P-C4' energy: -20.612
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -29.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -299.905108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.905108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.905108 (E_RNA)
where:
Base-Base interactions energy: -200.215
where: short stacking energy: -88.809
Base-Backbone interact. energy: -0.444
local terms energy: -99.245334
where:
bonds (distance) C4'-P energy: -18.595
bonds (distance) P-C4' energy: -19.634
flat angles C4'-P-C4' energy: -22.482
flat angles P-C4'-P energy: -14.673
tors. eta vs tors. theta energy: -23.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -224.349481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.349481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.349481 (E_RNA)
where:
Base-Base interactions energy: -135.537
where: short stacking energy: -72.267
Base-Backbone interact. energy: -0.120
local terms energy: -88.693437
where:
bonds (distance) C4'-P energy: -19.732
bonds (distance) P-C4' energy: -22.319
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -6.078
tors. eta vs tors. theta energy: -22.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -115.696561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.696561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.696561 (E_RNA)
where:
Base-Base interactions energy: -45.336
where: short stacking energy: -33.647
Base-Backbone interact. energy: -1.935
local terms energy: -68.426012
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -22.059
flat angles C4'-P-C4' energy: -20.524
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: 2.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -106.535643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.535643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.535643 (E_RNA)
where:
Base-Base interactions energy: -48.930
where: short stacking energy: -32.885
Base-Backbone interact. energy: -0.775
local terms energy: -56.831286
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -100.244246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.244246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.244246 (E_RNA)
where:
Base-Base interactions energy: -43.546
where: short stacking energy: -32.180
Base-Backbone interact. energy: -0.449
local terms energy: -56.249810
where:
bonds (distance) C4'-P energy: -20.067
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: 2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -395.722041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.722041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.722041 (E_RNA)
where:
Base-Base interactions energy: -276.632
where: short stacking energy: -111.800
Base-Backbone interact. energy: -0.053
local terms energy: -119.036159
where:
bonds (distance) C4'-P energy: -20.795
bonds (distance) P-C4' energy: -22.069
flat angles C4'-P-C4' energy: -23.558
flat angles P-C4'-P energy: -19.168
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: 2, replica: 9
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -387.255009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.255009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.255009 (E_RNA)
where:
Base-Base interactions energy: -268.531
where: short stacking energy: -109.165
Base-Backbone interact. energy: -0.007
local terms energy: -118.717020
where:
bonds (distance) C4'-P energy: -22.636
bonds (distance) P-C4' energy: -21.053
flat angles C4'-P-C4' energy: -24.519
flat angles P-C4'-P energy: -17.058
tors. eta vs tors. theta energy: -33.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -370.932296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.932296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.932296 (E_RNA)
where:
Base-Base interactions energy: -251.876
where: short stacking energy: -116.722
Base-Backbone interact. energy: -0.003
local terms energy: -119.052794
where:
bonds (distance) C4'-P energy: -19.021
bonds (distance) P-C4' energy: -23.905
flat angles C4'-P-C4' energy: -23.314
flat angles P-C4'-P energy: -17.937
tors. eta vs tors. theta energy: -34.876
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: 10
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -348.461524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.461524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.461524 (E_RNA)
where:
Base-Base interactions energy: -247.127
where: short stacking energy: -105.398
Base-Backbone interact. energy: -0.029
local terms energy: -101.305285
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -25.064
flat angles C4'-P-C4' energy: -21.214
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: -30.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -322.365834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.365834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.365834 (E_RNA)
where:
Base-Base interactions energy: -220.490
where: short stacking energy: -99.660
Base-Backbone interact. energy: -0.154
local terms energy: -101.721876
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -19.792
flat angles P-C4'-P energy: -15.669
tors. eta vs tors. theta energy: -31.644
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: 6, replica: 3
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -293.029545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.029545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.029545 (E_RNA)
where:
Base-Base interactions energy: -191.187
where: short stacking energy: -86.029
Base-Backbone interact. energy: -0.057
local terms energy: -101.785460
where:
bonds (distance) C4'-P energy: -21.727
bonds (distance) P-C4' energy: -18.799
flat angles C4'-P-C4' energy: -21.414
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -25.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -223.518071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.518071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.518071 (E_RNA)
where:
Base-Base interactions energy: -130.661
where: short stacking energy: -72.333
Base-Backbone interact. energy: -0.147
local terms energy: -92.709642
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -18.729
flat angles C4'-P-C4' energy: -23.016
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -22.703
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: 1
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -116.212354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.212354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.212354 (E_RNA)
where:
Base-Base interactions energy: -33.419
where: short stacking energy: -31.966
Base-Backbone interact. energy: 0.608
local terms energy: -83.401272
where:
bonds (distance) C4'-P energy: -20.246
bonds (distance) P-C4' energy: -24.803
flat angles C4'-P-C4' energy: -19.585
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -5.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -115.997280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.997280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.997280 (E_RNA)
where:
Base-Base interactions energy: -47.361
where: short stacking energy: -28.080
Base-Backbone interact. energy: 0.249
local terms energy: -68.885984
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -20.163
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -2.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -114.603529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.603529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.603529 (E_RNA)
where:
Base-Base interactions energy: -46.144
where: short stacking energy: -26.959
Base-Backbone interact. energy: -0.679
local terms energy: -67.780988
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -22.463
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -2.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -390.804549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.804549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.804549 (E_RNA)
where:
Base-Base interactions energy: -274.198
where: short stacking energy: -107.808
Base-Backbone interact. energy: 0.036
local terms energy: -116.642281
where:
bonds (distance) C4'-P energy: -23.032
bonds (distance) P-C4' energy: -21.029
flat angles C4'-P-C4' energy: -21.330
flat angles P-C4'-P energy: -17.371
tors. eta vs tors. theta energy: -33.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -380.197906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.197906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.197906 (E_RNA)
where:
Base-Base interactions energy: -265.361
where: short stacking energy: -117.738
Base-Backbone interact. energy: -0.395
local terms energy: -114.441729
where:
bonds (distance) C4'-P energy: -21.371
bonds (distance) P-C4' energy: -19.827
flat angles C4'-P-C4' energy: -22.478
flat angles P-C4'-P energy: -17.587
tors. eta vs tors. theta energy: -33.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -383.540952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.540952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.540952 (E_RNA)
where:
Base-Base interactions energy: -270.498
where: short stacking energy: -112.757
Base-Backbone interact. energy: -0.357
local terms energy: -112.686063
where:
bonds (distance) C4'-P energy: -24.965
bonds (distance) P-C4' energy: -18.733
flat angles C4'-P-C4' energy: -20.251
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -34.046
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: 10
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -349.926587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.926587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.926587 (E_RNA)
where:
Base-Base interactions energy: -245.229
where: short stacking energy: -109.513
Base-Backbone interact. energy: -1.194
local terms energy: -103.503140
where:
bonds (distance) C4'-P energy: -19.309
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -19.056
tors. eta vs tors. theta energy: -31.183
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: 4
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -297.151232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.151232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.151232 (E_RNA)
where:
Base-Base interactions energy: -201.623
where: short stacking energy: -91.669
Base-Backbone interact. energy: 1.520
local terms energy: -97.048458
where:
bonds (distance) C4'-P energy: -19.319
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: -29.056
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: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -286.344598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.344598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.344598 (E_RNA)
where:
Base-Base interactions energy: -190.878
where: short stacking energy: -80.329
Base-Backbone interact. energy: -0.830
local terms energy: -94.636476
where:
bonds (distance) C4'-P energy: -21.691
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -18.925
flat angles P-C4'-P energy: -14.847
tors. eta vs tors. theta energy: -22.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -239.825481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.825481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.825481 (E_RNA)
where:
Base-Base interactions energy: -160.705
where: short stacking energy: -73.507
Base-Backbone interact. energy: -0.341
local terms energy: -78.778529
where:
bonds (distance) C4'-P energy: -16.649
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -18.852
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -15.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -121.278355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.278355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.278355 (E_RNA)
where:
Base-Base interactions energy: -57.101
where: short stacking energy: -38.275
Base-Backbone interact. energy: -0.368
local terms energy: -63.809378
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -166.309135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.309135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.309135 (E_RNA)
where:
Base-Base interactions energy: -93.874
where: short stacking energy: -44.926
Base-Backbone interact. energy: 0.026
local terms energy: -72.460985
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -18.296
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -10.032
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: 6
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -116.449921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.449921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.449921 (E_RNA)
where:
Base-Base interactions energy: -49.504
where: short stacking energy: -29.408
Base-Backbone interact. energy: -0.414
local terms energy: -66.531780
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -19.770
flat angles C4'-P-C4' energy: -20.214
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: 0.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -376.652755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.652755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.652755 (E_RNA)
where:
Base-Base interactions energy: -260.273
where: short stacking energy: -118.872
Base-Backbone interact. energy: -0.707
local terms energy: -115.672289
where:
bonds (distance) C4'-P energy: -19.487
bonds (distance) P-C4' energy: -24.338
flat angles C4'-P-C4' energy: -24.117
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -34.056
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: 5
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -388.531911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.531911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.531911 (E_RNA)
where:
Base-Base interactions energy: -270.206
where: short stacking energy: -109.159
Base-Backbone interact. energy: -0.072
local terms energy: -118.253481
where:
bonds (distance) C4'-P energy: -25.189
bonds (distance) P-C4' energy: -20.637
flat angles C4'-P-C4' energy: -24.398
flat angles P-C4'-P energy: -14.396
tors. eta vs tors. theta energy: -33.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -369.254733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.254733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.254733 (E_RNA)
where:
Base-Base interactions energy: -256.746
where: short stacking energy: -114.280
Base-Backbone interact. energy: -0.985
local terms energy: -111.523585
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -24.524
flat angles C4'-P-C4' energy: -24.738
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -33.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -362.384700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.384700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.384700 (E_RNA)
where:
Base-Base interactions energy: -256.168
where: short stacking energy: -99.237
Base-Backbone interact. energy: -0.005
local terms energy: -106.211839
where:
bonds (distance) C4'-P energy: -17.575
bonds (distance) P-C4' energy: -22.937
flat angles C4'-P-C4' energy: -19.185
flat angles P-C4'-P energy: -17.601
tors. eta vs tors. theta energy: -28.914
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: 330
Temperature: 1.100000
Total energy: -287.737829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.737829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.737829 (E_RNA)
where:
Base-Base interactions energy: -190.008
where: short stacking energy: -85.676
Base-Backbone interact. energy: -0.018
local terms energy: -97.712022
where:
bonds (distance) C4'-P energy: -20.718
bonds (distance) P-C4' energy: -17.648
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -15.703
tors. eta vs tors. theta energy: -26.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -314.057052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.057052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.057052 (E_RNA)
where:
Base-Base interactions energy: -219.769
where: short stacking energy: -90.264
Base-Backbone interact. energy: -0.844
local terms energy: -93.444050
where:
bonds (distance) C4'-P energy: -20.723
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -21.476
flat angles P-C4'-P energy: -6.214
tors. eta vs tors. theta energy: -27.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -225.221723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.221723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.221723 (E_RNA)
where:
Base-Base interactions energy: -134.051
where: short stacking energy: -65.566
Base-Backbone interact. energy: -0.862
local terms energy: -90.308805
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -18.522
flat angles C4'-P-C4' energy: -23.384
flat angles P-C4'-P energy: -17.863
tors. eta vs tors. theta energy: -13.622
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: 7
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -114.157277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.157277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.157277 (E_RNA)
where:
Base-Base interactions energy: -35.976
where: short stacking energy: -31.588
Base-Backbone interact. energy: -0.181
local terms energy: -78.000640
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -21.336
flat angles P-C4'-P energy: -17.839
tors. eta vs tors. theta energy: -4.345
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: 1
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -176.043667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.043667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.043667 (E_RNA)
where:
Base-Base interactions energy: -96.760
where: short stacking energy: -40.677
Base-Backbone interact. energy: -0.045
local terms energy: -79.238492
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -18.978
flat angles P-C4'-P energy: -15.008
tors. eta vs tors. theta energy: -8.208
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: 6
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -108.013154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.013154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.013154 (E_RNA)
where:
Base-Base interactions energy: -56.359
where: short stacking energy: -51.432
Base-Backbone interact. energy: 1.209
local terms energy: -52.863122
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -18.207
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: -6.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -381.132828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.132828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.132828 (E_RNA)
where:
Base-Base interactions energy: -270.379
where: short stacking energy: -115.243
Base-Backbone interact. energy: -0.000
local terms energy: -110.753920
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -21.547
flat angles C4'-P-C4' energy: -24.652
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: -35.422
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: 5
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -388.917358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.917358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.917358 (E_RNA)
where:
Base-Base interactions energy: -281.413
where: short stacking energy: -112.751
Base-Backbone interact. energy: -0.042
local terms energy: -107.462352
where:
bonds (distance) C4'-P energy: -20.001
bonds (distance) P-C4' energy: -20.482
flat angles C4'-P-C4' energy: -21.682
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -32.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -367.345827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.345827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.345827 (E_RNA)
where:
Base-Base interactions energy: -247.664
where: short stacking energy: -113.891
Base-Backbone interact. energy: -0.215
local terms energy: -119.466965
where:
bonds (distance) C4'-P energy: -18.952
bonds (distance) P-C4' energy: -24.036
flat angles C4'-P-C4' energy: -26.639
flat angles P-C4'-P energy: -18.172
tors. eta vs tors. theta energy: -31.668
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: 9
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -374.997780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.997780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.997780 (E_RNA)
where:
Base-Base interactions energy: -269.759
where: short stacking energy: -107.495
Base-Backbone interact. energy: -0.268
local terms energy: -104.970695
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -21.278
flat angles P-C4'-P energy: -13.630
tors. eta vs tors. theta energy: -33.416
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: 4
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -281.238662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.238662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.238662 (E_RNA)
where:
Base-Base interactions energy: -194.302
where: short stacking energy: -96.327
Base-Backbone interact. energy: 1.377
local terms energy: -88.313028
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -18.484
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -28.801
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: 331
Temperature: 1.150000
Total energy: -313.274350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.274350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.274350 (E_RNA)
where:
Base-Base interactions energy: -220.428
where: short stacking energy: -87.976
Base-Backbone interact. energy: -1.525
local terms energy: -91.321962
where:
bonds (distance) C4'-P energy: -18.461
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -20.374
flat angles P-C4'-P energy: -14.984
tors. eta vs tors. theta energy: -23.463
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: 8
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -217.238886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.238886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.238886 (E_RNA)
where:
Base-Base interactions energy: -136.842
where: short stacking energy: -72.674
Base-Backbone interact. energy: -0.271
local terms energy: -80.125822
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -19.766
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -17.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -186.607752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.607752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.607752 (E_RNA)
where:
Base-Base interactions energy: -106.328
where: short stacking energy: -48.737
Base-Backbone interact. energy: 0.125
local terms energy: -80.405234
where:
bonds (distance) C4'-P energy: -20.156
bonds (distance) P-C4' energy: -22.785
flat angles C4'-P-C4' energy: -18.155
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -7.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -114.425940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.425940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.425940 (E_RNA)
where:
Base-Base interactions energy: -49.616
where: short stacking energy: -37.410
Base-Backbone interact. energy: -0.775
local terms energy: -64.035041
where:
bonds (distance) C4'-P energy: -20.482
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -19.100
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: 2.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -102.412728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.412728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.412728 (E_RNA)
where:
Base-Base interactions energy: -43.181
where: short stacking energy: -41.351
Base-Backbone interact. energy: -0.043
local terms energy: -59.188505
where:
bonds (distance) C4'-P energy: -18.337
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -3.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -395.415755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.415755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.415755 (E_RNA)
where:
Base-Base interactions energy: -278.277
where: short stacking energy: -109.199
Base-Backbone interact. energy: -0.164
local terms energy: -116.974770
where:
bonds (distance) C4'-P energy: -24.771
bonds (distance) P-C4' energy: -23.144
flat angles C4'-P-C4' energy: -21.174
flat angles P-C4'-P energy: -16.507
tors. eta vs tors. theta energy: -31.379
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: 2, replica: 2
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -374.381277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.381277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.381277 (E_RNA)
where:
Base-Base interactions energy: -252.244
where: short stacking energy: -110.865
Base-Backbone interact. energy: -0.001
local terms energy: -122.136927
where:
bonds (distance) C4'-P energy: -25.182
bonds (distance) P-C4' energy: -21.801
flat angles C4'-P-C4' energy: -24.036
flat angles P-C4'-P energy: -17.741
tors. eta vs tors. theta energy: -33.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -381.598303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.598303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.598303 (E_RNA)
where:
Base-Base interactions energy: -267.051
where: short stacking energy: -103.962
Base-Backbone interact. energy: -0.024
local terms energy: -114.524178
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -23.710
flat angles C4'-P-C4' energy: -24.283
flat angles P-C4'-P energy: -14.500
tors. eta vs tors. theta energy: -34.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -369.382788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.382788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.382788 (E_RNA)
where:
Base-Base interactions energy: -257.583
where: short stacking energy: -101.033
Base-Backbone interact. energy: -1.452
local terms energy: -110.347709
where:
bonds (distance) C4'-P energy: -18.951
bonds (distance) P-C4' energy: -18.338
flat angles C4'-P-C4' energy: -23.155
flat angles P-C4'-P energy: -20.245
tors. eta vs tors. theta energy: -29.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -295.350775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.350775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.350775 (E_RNA)
where:
Base-Base interactions energy: -197.588
where: short stacking energy: -93.852
Base-Backbone interact. energy: -0.019
local terms energy: -97.743472
where:
bonds (distance) C4'-P energy: -21.873
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -20.143
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -24.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -300.746417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.746417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.746417 (E_RNA)
where:
Base-Base interactions energy: -209.825
where: short stacking energy: -83.254
Base-Backbone interact. energy: -0.106
local terms energy: -90.815069
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -18.031
tors. eta vs tors. theta energy: -24.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -210.273659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.273659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.273659 (E_RNA)
where:
Base-Base interactions energy: -134.672
where: short stacking energy: -57.937
Base-Backbone interact. energy: -0.101
local terms energy: -75.500395
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -10.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -225.660799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.660799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.660799 (E_RNA)
where:
Base-Base interactions energy: -142.887
where: short stacking energy: -75.153
Base-Backbone interact. energy: 0.745
local terms energy: -83.518425
where:
bonds (distance) C4'-P energy: -21.673
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -19.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -120.133985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.133985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.133985 (E_RNA)
where:
Base-Base interactions energy: -44.165
where: short stacking energy: -33.552
Base-Backbone interact. energy: -0.351
local terms energy: -75.618057
where:
bonds (distance) C4'-P energy: -18.843
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -14.765
tors. eta vs tors. theta energy: -6.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -116.557495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.557495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.557495 (E_RNA)
where:
Base-Base interactions energy: -46.204
where: short stacking energy: -32.913
Base-Backbone interact. energy: 0.090
local terms energy: -70.444225
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -23.852
flat angles C4'-P-C4' energy: -19.715
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -3.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -386.891977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.891977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.891977 (E_RNA)
where:
Base-Base interactions energy: -274.313
where: short stacking energy: -108.824
Base-Backbone interact. energy: -0.168
local terms energy: -112.411293
where:
bonds (distance) C4'-P energy: -20.583
bonds (distance) P-C4' energy: -22.243
flat angles C4'-P-C4' energy: -25.587
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -30.617
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: 9
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -384.605935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.605935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.605935 (E_RNA)
where:
Base-Base interactions energy: -272.050
where: short stacking energy: -107.978
Base-Backbone interact. energy: -0.126
local terms energy: -112.430086
where:
bonds (distance) C4'-P energy: -19.369
bonds (distance) P-C4' energy: -19.476
flat angles C4'-P-C4' energy: -22.702
flat angles P-C4'-P energy: -17.544
tors. eta vs tors. theta energy: -33.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -360.308273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.308273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.308273 (E_RNA)
where:
Base-Base interactions energy: -244.441
where: short stacking energy: -101.410
Base-Backbone interact. energy: -0.984
local terms energy: -114.883236
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -23.806
flat angles C4'-P-C4' energy: -22.806
flat angles P-C4'-P energy: -18.102
tors. eta vs tors. theta energy: -31.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -357.386432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.386432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.386432 (E_RNA)
where:
Base-Base interactions energy: -247.850
where: short stacking energy: -103.347
Base-Backbone interact. energy: -0.275
local terms energy: -109.261936
where:
bonds (distance) C4'-P energy: -19.071
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -22.317
flat angles P-C4'-P energy: -18.666
tors. eta vs tors. theta energy: -27.558
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: 4
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -294.662782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.662782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.662782 (E_RNA)
where:
Base-Base interactions energy: -200.228
where: short stacking energy: -98.760
Base-Backbone interact. energy: -0.022
local terms energy: -94.412037
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -16.310
flat angles C4'-P-C4' energy: -20.103
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -30.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -274.212055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.212055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.212055 (E_RNA)
where:
Base-Base interactions energy: -183.711
where: short stacking energy: -78.714
Base-Backbone interact. energy: -0.018
local terms energy: -90.482489
where:
bonds (distance) C4'-P energy: -19.203
bonds (distance) P-C4' energy: -19.829
flat angles C4'-P-C4' energy: -21.782
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -21.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -199.418602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.418602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.418602 (E_RNA)
where:
Base-Base interactions energy: -129.662
where: short stacking energy: -51.343
Base-Backbone interact. energy: -0.749
local terms energy: -69.007704
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -17.155
flat angles C4'-P-C4' energy: -20.506
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -6.772
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: 8
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -219.041483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.041483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.041483 (E_RNA)
where:
Base-Base interactions energy: -137.378
where: short stacking energy: -57.454
Base-Backbone interact. energy: -0.088
local terms energy: -81.574996
where:
bonds (distance) C4'-P energy: -19.604
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -19.702
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -16.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -111.581478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.581478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.581478 (E_RNA)
where:
Base-Base interactions energy: -49.977
where: short stacking energy: -31.200
Base-Backbone interact. energy: -0.503
local terms energy: -61.101760
where:
bonds (distance) C4'-P energy: -17.863
bonds (distance) P-C4' energy: -21.203
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: 1.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -120.465538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.465538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.465538 (E_RNA)
where:
Base-Base interactions energy: -48.089
where: short stacking energy: -32.443
Base-Backbone interact. energy: -0.148
local terms energy: -72.228269
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -21.678
flat angles C4'-P-C4' energy: -18.280
flat angles P-C4'-P energy: -14.530
tors. eta vs tors. theta energy: -2.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -387.280904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.280904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.280904 (E_RNA)
where:
Base-Base interactions energy: -269.993
where: short stacking energy: -106.778
Base-Backbone interact. energy: -0.157
local terms energy: -117.130600
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -24.833
flat angles C4'-P-C4' energy: -24.481
flat angles P-C4'-P energy: -17.504
tors. eta vs tors. theta energy: -31.168
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: 9
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -380.698745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.698745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.698745 (E_RNA)
where:
Base-Base interactions energy: -267.973
where: short stacking energy: -109.909
Base-Backbone interact. energy: -0.175
local terms energy: -112.550957
where:
bonds (distance) C4'-P energy: -18.093
bonds (distance) P-C4' energy: -24.829
flat angles C4'-P-C4' energy: -23.229
flat angles P-C4'-P energy: -14.496
tors. eta vs tors. theta energy: -31.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -363.595162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.595162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.595162 (E_RNA)
where:
Base-Base interactions energy: -249.878
where: short stacking energy: -102.247
Base-Backbone interact. energy: -0.188
local terms energy: -113.529488
where:
bonds (distance) C4'-P energy: -18.746
bonds (distance) P-C4' energy: -22.256
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -17.742
tors. eta vs tors. theta energy: -31.289
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: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -367.232198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.232198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.232198 (E_RNA)
where:
Base-Base interactions energy: -262.531
where: short stacking energy: -112.323
Base-Backbone interact. energy: -0.002
local terms energy: -104.698658
where:
bonds (distance) C4'-P energy: -20.158
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -21.416
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -33.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -314.940871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.940871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.940871 (E_RNA)
where:
Base-Base interactions energy: -208.322
where: short stacking energy: -87.814
Base-Backbone interact. energy: -0.238
local terms energy: -106.380436
where:
bonds (distance) C4'-P energy: -20.011
bonds (distance) P-C4' energy: -23.178
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -15.222
tors. eta vs tors. theta energy: -29.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -297.848487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.848487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.848487 (E_RNA)
where:
Base-Base interactions energy: -195.576
where: short stacking energy: -89.667
Base-Backbone interact. energy: -0.020
local terms energy: -102.252009
where:
bonds (distance) C4'-P energy: -18.710
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -21.976
flat angles P-C4'-P energy: -14.999
tors. eta vs tors. theta energy: -25.388
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: 7, replica: 8
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -243.086831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.086831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.086831 (E_RNA)
where:
Base-Base interactions energy: -164.402
where: short stacking energy: -55.199
Base-Backbone interact. energy: -0.274
local terms energy: -78.410550
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -20.470
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -15.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -207.190201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.190201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.190201 (E_RNA)
where:
Base-Base interactions energy: -134.545
where: short stacking energy: -60.689
Base-Backbone interact. energy: -0.124
local terms energy: -72.520994
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -14.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -122.438577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.438577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.438577 (E_RNA)
where:
Base-Base interactions energy: -52.660
where: short stacking energy: -31.958
Base-Backbone interact. energy: -0.714
local terms energy: -69.064867
where:
bonds (distance) C4'-P energy: -18.777
bonds (distance) P-C4' energy: -20.315
flat angles C4'-P-C4' energy: -21.578
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: 1.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -109.816087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.816087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.816087 (E_RNA)
where:
Base-Base interactions energy: -38.119
where: short stacking energy: -37.534
Base-Backbone interact. energy: -0.217
local terms energy: -71.479876
where:
bonds (distance) C4'-P energy: -19.901
bonds (distance) P-C4' energy: -19.672
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -5.915
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: 5
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -386.089465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.089465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.089465 (E_RNA)
where:
Base-Base interactions energy: -277.577
where: short stacking energy: -109.672
Base-Backbone interact. energy: -0.007
local terms energy: -108.505379
where:
bonds (distance) C4'-P energy: -19.335
bonds (distance) P-C4' energy: -22.354
flat angles C4'-P-C4' energy: -20.680
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -31.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -363.817431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.817431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.817431 (E_RNA)
where:
Base-Base interactions energy: -251.901
where: short stacking energy: -110.832
Base-Backbone interact. energy: -0.007
local terms energy: -111.908842
where:
bonds (distance) C4'-P energy: -19.815
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -23.822
flat angles P-C4'-P energy: -16.136
tors. eta vs tors. theta energy: -35.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -375.929194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.929194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.929194 (E_RNA)
where:
Base-Base interactions energy: -265.903
where: short stacking energy: -105.187
Base-Backbone interact. energy: -0.422
local terms energy: -109.604155
where:
bonds (distance) C4'-P energy: -18.967
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -23.564
flat angles P-C4'-P energy: -17.730
tors. eta vs tors. theta energy: -31.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -362.823768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.823768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.823768 (E_RNA)
where:
Base-Base interactions energy: -250.210
where: short stacking energy: -106.155
Base-Backbone interact. energy: -0.126
local terms energy: -112.487997
where:
bonds (distance) C4'-P energy: -21.549
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -18.095
tors. eta vs tors. theta energy: -34.864
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: 3
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -319.786633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.786633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.786633 (E_RNA)
where:
Base-Base interactions energy: -213.284
where: short stacking energy: -88.992
Base-Backbone interact. energy: -0.856
local terms energy: -105.646874
where:
bonds (distance) C4'-P energy: -22.213
bonds (distance) P-C4' energy: -20.497
flat angles C4'-P-C4' energy: -19.986
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -29.658
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: 4
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -292.870980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.870980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.870980 (E_RNA)
where:
Base-Base interactions energy: -201.896
where: short stacking energy: -84.372
Base-Backbone interact. energy: -1.062
local terms energy: -89.913511
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -21.064
flat angles C4'-P-C4' energy: -19.672
flat angles P-C4'-P energy: -18.333
tors. eta vs tors. theta energy: -19.525
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: 7, replica: 8
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -265.064305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.064305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.064305 (E_RNA)
where:
Base-Base interactions energy: -178.517
where: short stacking energy: -73.151
Base-Backbone interact. energy: -0.093
local terms energy: -86.454450
where:
bonds (distance) C4'-P energy: -20.283
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -22.343
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -14.491
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: 1
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -189.281705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.281705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.281705 (E_RNA)
where:
Base-Base interactions energy: -116.849
where: short stacking energy: -50.383
Base-Backbone interact. energy: -0.630
local terms energy: -71.802180
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -21.205
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -8.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -132.078089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.078089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.078089 (E_RNA)
where:
Base-Base interactions energy: -48.928
where: short stacking energy: -31.170
Base-Backbone interact. energy: -1.028
local terms energy: -82.122069
where:
bonds (distance) C4'-P energy: -22.747
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -21.151
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -8.230
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: 10, replica: 7
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -109.492309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.492309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.492309 (E_RNA)
where:
Base-Base interactions energy: -37.836
where: short stacking energy: -37.601
Base-Backbone interact. energy: -0.725
local terms energy: -70.930969
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -19.680
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -6.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -389.687051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.687051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.687051 (E_RNA)
where:
Base-Base interactions energy: -272.909
where: short stacking energy: -104.514
Base-Backbone interact. energy: -0.048
local terms energy: -116.730298
where:
bonds (distance) C4'-P energy: -21.493
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -27.284
flat angles P-C4'-P energy: -15.576
tors. eta vs tors. theta energy: -29.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -366.790830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.790830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.790830 (E_RNA)
where:
Base-Base interactions energy: -251.489
where: short stacking energy: -113.347
Base-Backbone interact. energy: -1.566
local terms energy: -113.735070
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -24.763
flat angles C4'-P-C4' energy: -24.355
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -35.225
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: 2
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -360.938478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.938478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.938478 (E_RNA)
where:
Base-Base interactions energy: -245.528
where: short stacking energy: -98.218
Base-Backbone interact. energy: -1.353
local terms energy: -114.057715
where:
bonds (distance) C4'-P energy: -19.943
bonds (distance) P-C4' energy: -21.677
flat angles C4'-P-C4' energy: -22.584
flat angles P-C4'-P energy: -16.021
tors. eta vs tors. theta energy: -33.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -378.055476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.055476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.055476 (E_RNA)
where:
Base-Base interactions energy: -272.268
where: short stacking energy: -113.080
Base-Backbone interact. energy: -0.092
local terms energy: -105.695537
where:
bonds (distance) C4'-P energy: -21.710
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -24.512
flat angles P-C4'-P energy: -11.906
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: 5, replica: 3
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -327.089378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.089378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.089378 (E_RNA)
where:
Base-Base interactions energy: -219.855
where: short stacking energy: -100.225
Base-Backbone interact. energy: -0.123
local terms energy: -107.111449
where:
bonds (distance) C4'-P energy: -18.809
bonds (distance) P-C4' energy: -21.936
flat angles C4'-P-C4' energy: -24.289
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -32.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -288.589154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.589154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.589154 (E_RNA)
where:
Base-Base interactions energy: -207.823
where: short stacking energy: -86.901
Base-Backbone interact. energy: 0.573
local terms energy: -81.339231
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -20.054
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -21.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -227.289929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.289929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.289929 (E_RNA)
where:
Base-Base interactions energy: -150.126
where: short stacking energy: -60.748
Base-Backbone interact. energy: 1.598
local terms energy: -78.762180
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -19.373
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -14.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -126.008210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.008210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.008210 (E_RNA)
where:
Base-Base interactions energy: -55.514
where: short stacking energy: -30.894
Base-Backbone interact. energy: -0.059
local terms energy: -70.435454
where:
bonds (distance) C4'-P energy: -17.733
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -21.303
flat angles P-C4'-P energy: -14.309
tors. eta vs tors. theta energy: -0.715
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: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -105.575890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.575890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.575890 (E_RNA)
where:
Base-Base interactions energy: -43.526
where: short stacking energy: -18.118
Base-Backbone interact. energy: -0.462
local terms energy: -61.587533
where:
bonds (distance) C4'-P energy: -19.522
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: 2.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -108.825484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.825484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.825484 (E_RNA)
where:
Base-Base interactions energy: -29.181
where: short stacking energy: -28.880
Base-Backbone interact. energy: -0.245
local terms energy: -79.399399
where:
bonds (distance) C4'-P energy: -23.511
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -21.447
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -391.325080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.325080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.325080 (E_RNA)
where:
Base-Base interactions energy: -271.361
where: short stacking energy: -115.931
Base-Backbone interact. energy: -0.002
local terms energy: -119.962467
where:
bonds (distance) C4'-P energy: -22.263
bonds (distance) P-C4' energy: -24.226
flat angles C4'-P-C4' energy: -22.848
flat angles P-C4'-P energy: -17.180
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: 2, replica: 2
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -373.888328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.888328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.888328 (E_RNA)
where:
Base-Base interactions energy: -256.659
where: short stacking energy: -110.183
Base-Backbone interact. energy: -0.275
local terms energy: -116.954184
where:
bonds (distance) C4'-P energy: -21.078
bonds (distance) P-C4' energy: -22.514
flat angles C4'-P-C4' energy: -24.653
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: -34.234
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: 10
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -355.881548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.881548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.881548 (E_RNA)
where:
Base-Base interactions energy: -241.832
where: short stacking energy: -109.877
Base-Backbone interact. energy: -0.219
local terms energy: -113.830379
where:
bonds (distance) C4'-P energy: -20.913
bonds (distance) P-C4' energy: -22.504
flat angles C4'-P-C4' energy: -22.844
flat angles P-C4'-P energy: -17.394
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: 4, replica: 9
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -370.748282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.748282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.748282 (E_RNA)
where:
Base-Base interactions energy: -257.829
where: short stacking energy: -103.731
Base-Backbone interact. energy: -0.128
local terms energy: -112.791197
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -23.264
flat angles C4'-P-C4' energy: -23.807
flat angles P-C4'-P energy: -15.940
tors. eta vs tors. theta energy: -32.352
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: 3
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -302.468967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.468967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.468967 (E_RNA)
where:
Base-Base interactions energy: -199.521
where: short stacking energy: -97.793
Base-Backbone interact. energy: -0.018
local terms energy: -102.929742
where:
bonds (distance) C4'-P energy: -20.498
bonds (distance) P-C4' energy: -19.068
flat angles C4'-P-C4' energy: -22.288
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -31.213
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: 6, replica: 4
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -317.493014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.493014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.493014 (E_RNA)
where:
Base-Base interactions energy: -214.792
where: short stacking energy: -99.657
Base-Backbone interact. energy: -0.100
local terms energy: -102.600749
where:
bonds (distance) C4'-P energy: -20.922
bonds (distance) P-C4' energy: -20.081
flat angles C4'-P-C4' energy: -20.268
flat angles P-C4'-P energy: -11.225
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: 8
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -216.415798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.415798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.415798 (E_RNA)
where:
Base-Base interactions energy: -127.423
where: short stacking energy: -59.457
Base-Backbone interact. energy: -0.120
local terms energy: -88.872288
where:
bonds (distance) C4'-P energy: -22.387
bonds (distance) P-C4' energy: -20.934
flat angles C4'-P-C4' energy: -20.066
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -13.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -118.078500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.078500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.078500 (E_RNA)
where:
Base-Base interactions energy: -48.433
where: short stacking energy: -35.975
Base-Backbone interact. energy: 0.330
local terms energy: -69.975989
where:
bonds (distance) C4'-P energy: -18.620
bonds (distance) P-C4' energy: -24.295
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -5.831
tors. eta vs tors. theta energy: -5.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -113.574035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.574035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.574035 (E_RNA)
where:
Base-Base interactions energy: -46.301
where: short stacking energy: -31.643
Base-Backbone interact. energy: 0.077
local terms energy: -67.349739
where:
bonds (distance) C4'-P energy: -17.930
bonds (distance) P-C4' energy: -22.463
flat angles C4'-P-C4' energy: -18.315
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: 1.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -101.040771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.040771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.040771 (E_RNA)
where:
Base-Base interactions energy: -32.036
where: short stacking energy: -26.622
Base-Backbone interact. energy: -0.281
local terms energy: -68.723914
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -21.233
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: 0.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -375.455400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.455400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.455400 (E_RNA)
where:
Base-Base interactions energy: -260.400
where: short stacking energy: -118.061
Base-Backbone interact. energy: -0.438
local terms energy: -114.617130
where:
bonds (distance) C4'-P energy: -22.697
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -22.464
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -38.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -380.048636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.048636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.048636 (E_RNA)
where:
Base-Base interactions energy: -261.209
where: short stacking energy: -103.448
Base-Backbone interact. energy: -0.013
local terms energy: -118.827329
where:
bonds (distance) C4'-P energy: -24.403
bonds (distance) P-C4' energy: -20.744
flat angles C4'-P-C4' energy: -24.789
flat angles P-C4'-P energy: -15.816
tors. eta vs tors. theta energy: -33.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -380.509804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.509804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.509804 (E_RNA)
where:
Base-Base interactions energy: -265.332
where: short stacking energy: -110.623
Base-Backbone interact. energy: -0.220
local terms energy: -114.957766
where:
bonds (distance) C4'-P energy: -18.900
bonds (distance) P-C4' energy: -22.927
flat angles C4'-P-C4' energy: -21.800
flat angles P-C4'-P energy: -16.057
tors. eta vs tors. theta energy: -35.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -351.943454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.943454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.943454 (E_RNA)
where:
Base-Base interactions energy: -248.298
where: short stacking energy: -104.436
Base-Backbone interact. energy: -0.796
local terms energy: -102.849720
where:
bonds (distance) C4'-P energy: -21.199
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -19.194
flat angles P-C4'-P energy: -14.765
tors. eta vs tors. theta energy: -29.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -308.990327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.990327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.990327 (E_RNA)
where:
Base-Base interactions energy: -205.098
where: short stacking energy: -90.082
Base-Backbone interact. energy: -1.501
local terms energy: -102.390906
where:
bonds (distance) C4'-P energy: -19.402
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -21.425
flat angles P-C4'-P energy: -15.946
tors. eta vs tors. theta energy: -27.918
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: 6, replica: 3
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -292.715565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.715565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.715565 (E_RNA)
where:
Base-Base interactions energy: -193.425
where: short stacking energy: -93.357
Base-Backbone interact. energy: -0.000
local terms energy: -99.290387
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -16.077
flat angles C4'-P-C4' energy: -20.757
flat angles P-C4'-P energy: -18.872
tors. eta vs tors. theta energy: -27.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -208.874616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.874616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.874616 (E_RNA)
where:
Base-Base interactions energy: -131.107
where: short stacking energy: -58.121
Base-Backbone interact. energy: -0.332
local terms energy: -77.435732
where:
bonds (distance) C4'-P energy: -18.768
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -9.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -121.047780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.047780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.047780 (E_RNA)
where:
Base-Base interactions energy: -44.882
where: short stacking energy: -33.051
Base-Backbone interact. energy: -0.510
local terms energy: -75.655630
where:
bonds (distance) C4'-P energy: -20.097
bonds (distance) P-C4' energy: -20.465
flat angles C4'-P-C4' energy: -20.582
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: -7.479
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: 6
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -100.901213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.901213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.901213 (E_RNA)
where:
Base-Base interactions energy: -45.246
where: short stacking energy: -20.386
Base-Backbone interact. energy: -0.403
local terms energy: -55.252474
where:
bonds (distance) C4'-P energy: -21.014
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: 7.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -141.519785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.519785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.519785 (E_RNA)
where:
Base-Base interactions energy: -73.055
where: short stacking energy: -34.881
Base-Backbone interact. energy: 1.002
local terms energy: -69.467478
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -19.835
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -17.718
tors. eta vs tors. theta energy: -3.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -382.229037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.229037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.229037 (E_RNA)
where:
Base-Base interactions energy: -262.569
where: short stacking energy: -118.732
Base-Backbone interact. energy: -0.727
local terms energy: -118.933004
where:
bonds (distance) C4'-P energy: -22.630
bonds (distance) P-C4' energy: -20.295
flat angles C4'-P-C4' energy: -24.461
flat angles P-C4'-P energy: -18.593
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: 2, replica: 9
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -393.408051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.408051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.408051 (E_RNA)
where:
Base-Base interactions energy: -274.457
where: short stacking energy: -107.893
Base-Backbone interact. energy: -0.007
local terms energy: -118.943863
where:
bonds (distance) C4'-P energy: -22.541
bonds (distance) P-C4' energy: -23.988
flat angles C4'-P-C4' energy: -25.684
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -34.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -375.086192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.086192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.086192 (E_RNA)
where:
Base-Base interactions energy: -273.573
where: short stacking energy: -104.266
Base-Backbone interact. energy: -0.108
local terms energy: -101.404904
where:
bonds (distance) C4'-P energy: -21.439
bonds (distance) P-C4' energy: -23.021
flat angles C4'-P-C4' energy: -20.485
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -25.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -334.176789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.176789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.176789 (E_RNA)
where:
Base-Base interactions energy: -231.215
where: short stacking energy: -103.157
Base-Backbone interact. energy: -0.123
local terms energy: -102.838331
where:
bonds (distance) C4'-P energy: -20.010
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -22.496
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -30.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -354.953061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.953061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.953061 (E_RNA)
where:
Base-Base interactions energy: -247.328
where: short stacking energy: -103.191
Base-Backbone interact. energy: -0.072
local terms energy: -107.553514
where:
bonds (distance) C4'-P energy: -20.121
bonds (distance) P-C4' energy: -24.436
flat angles C4'-P-C4' energy: -20.437
flat angles P-C4'-P energy: -13.708
tors. eta vs tors. theta energy: -28.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -302.149541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.149541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.149541 (E_RNA)
where:
Base-Base interactions energy: -203.472
where: short stacking energy: -94.005
Base-Backbone interact. energy: -0.201
local terms energy: -98.476580
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -23.906
flat angles C4'-P-C4' energy: -20.015
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -25.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -224.379848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.379848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.379848 (E_RNA)
where:
Base-Base interactions energy: -149.058
where: short stacking energy: -79.892
Base-Backbone interact. energy: -0.631
local terms energy: -74.690516
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -8.316
flat angles C4'-P-C4' energy: -19.974
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -16.158
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: 6
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -113.366746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.366746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.366746 (E_RNA)
where:
Base-Base interactions energy: -52.146
where: short stacking energy: -39.397
Base-Backbone interact. energy: -0.362
local terms energy: -60.858505
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: -6.127
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: 1
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -127.572075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.572075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.572075 (E_RNA)
where:
Base-Base interactions energy: -57.208
where: short stacking energy: -34.193
Base-Backbone interact. energy: -1.297
local terms energy: -69.066534
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -22.838
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -7.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -131.046498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.046498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.046498 (E_RNA)
where:
Base-Base interactions energy: -73.738
where: short stacking energy: -38.351
Base-Backbone interact. energy: 0.224
local terms energy: -57.532562
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -22.255
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -7.256
tors. eta vs tors. theta energy: 3.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -390.656297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.656297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.656297 (E_RNA)
where:
Base-Base interactions energy: -268.039
where: short stacking energy: -108.533
Base-Backbone interact. energy: 0.395
local terms energy: -123.012091
where:
bonds (distance) C4'-P energy: -24.878
bonds (distance) P-C4' energy: -25.635
flat angles C4'-P-C4' energy: -25.228
flat angles P-C4'-P energy: -15.953
tors. eta vs tors. theta energy: -31.319
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: 2
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -370.770375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.770375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.770375 (E_RNA)
where:
Base-Base interactions energy: -256.354
where: short stacking energy: -118.328
Base-Backbone interact. energy: -0.592
local terms energy: -113.824633
where:
bonds (distance) C4'-P energy: -21.744
bonds (distance) P-C4' energy: -20.764
flat angles C4'-P-C4' energy: -22.180
flat angles P-C4'-P energy: -14.900
tors. eta vs tors. theta energy: -34.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -379.005645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.005645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.005645 (E_RNA)
where:
Base-Base interactions energy: -271.786
where: short stacking energy: -105.827
Base-Backbone interact. energy: -0.190
local terms energy: -107.030073
where:
bonds (distance) C4'-P energy: -20.432
bonds (distance) P-C4' energy: -22.109
flat angles C4'-P-C4' energy: -23.965
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -28.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -344.241092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.241092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.241092 (E_RNA)
where:
Base-Base interactions energy: -225.556
where: short stacking energy: -102.890
Base-Backbone interact. energy: -0.001
local terms energy: -118.683816
where:
bonds (distance) C4'-P energy: -20.618
bonds (distance) P-C4' energy: -24.558
flat angles C4'-P-C4' energy: -21.926
flat angles P-C4'-P energy: -17.750
tors. eta vs tors. theta energy: -33.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -315.999560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.999560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.999560 (E_RNA)
where:
Base-Base interactions energy: -211.794
where: short stacking energy: -89.987
Base-Backbone interact. energy: -0.056
local terms energy: -104.149864
where:
bonds (distance) C4'-P energy: -19.707
bonds (distance) P-C4' energy: -19.869
flat angles C4'-P-C4' energy: -18.922
flat angles P-C4'-P energy: -14.840
tors. eta vs tors. theta energy: -30.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -328.012608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.012608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.012608 (E_RNA)
where:
Base-Base interactions energy: -228.786
where: short stacking energy: -94.039
Base-Backbone interact. energy: -0.339
local terms energy: -98.887366
where:
bonds (distance) C4'-P energy: -17.947
bonds (distance) P-C4' energy: -22.606
flat angles C4'-P-C4' energy: -21.816
flat angles P-C4'-P energy: -15.625
tors. eta vs tors. theta energy: -20.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -216.992161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.992161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.992161 (E_RNA)
where:
Base-Base interactions energy: -137.963
where: short stacking energy: -64.244
Base-Backbone interact. energy: -0.264
local terms energy: -78.764580
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -16.919
flat angles C4'-P-C4' energy: -20.026
flat angles P-C4'-P energy: -13.288
tors. eta vs tors. theta energy: -16.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -121.709966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.709966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.709966 (E_RNA)
where:
Base-Base interactions energy: -45.626
where: short stacking energy: -35.344
Base-Backbone interact. energy: 1.250
local terms energy: -77.333699
where:
bonds (distance) C4'-P energy: -19.166
bonds (distance) P-C4' energy: -20.090
flat angles C4'-P-C4' energy: -23.826
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -2.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -108.115805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.115805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.115805 (E_RNA)
where:
Base-Base interactions energy: -44.467
where: short stacking energy: -32.357
Base-Backbone interact. energy: -0.285
local terms energy: -63.363756
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -17.526
flat angles P-C4'-P energy: -11.159
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: 10, replica: 1
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -115.476699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.476699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.476699 (E_RNA)
where:
Base-Base interactions energy: -50.673
where: short stacking energy: -47.153
Base-Backbone interact. energy: 1.754
local terms energy: -66.557708
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -11.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -390.435237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.435237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.435237 (E_RNA)
where:
Base-Base interactions energy: -270.884
where: short stacking energy: -107.171
Base-Backbone interact. energy: -0.002
local terms energy: -119.548716
where:
bonds (distance) C4'-P energy: -21.468
bonds (distance) P-C4' energy: -23.454
flat angles C4'-P-C4' energy: -21.974
flat angles P-C4'-P energy: -18.210
tors. eta vs tors. theta energy: -34.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -382.931485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.931485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.931485 (E_RNA)
where:
Base-Base interactions energy: -268.989
where: short stacking energy: -112.264
Base-Backbone interact. energy: -0.294
local terms energy: -113.648640
where:
bonds (distance) C4'-P energy: -20.824
bonds (distance) P-C4' energy: -24.244
flat angles C4'-P-C4' energy: -23.385
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -32.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -369.010343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.010343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.010343 (E_RNA)
where:
Base-Base interactions energy: -261.082
where: short stacking energy: -108.835
Base-Backbone interact. energy: -0.032
local terms energy: -107.896333
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -20.006
flat angles C4'-P-C4' energy: -23.263
flat angles P-C4'-P energy: -15.730
tors. eta vs tors. theta energy: -33.477
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: 4
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -331.663126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.663126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.663126 (E_RNA)
where:
Base-Base interactions energy: -222.405
where: short stacking energy: -97.867
Base-Backbone interact. energy: -0.020
local terms energy: -109.237671
where:
bonds (distance) C4'-P energy: -20.834
bonds (distance) P-C4' energy: -21.615
flat angles C4'-P-C4' energy: -23.393
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -31.270
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: 3
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -311.322810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.322810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.322810 (E_RNA)
where:
Base-Base interactions energy: -222.896
where: short stacking energy: -98.334
Base-Backbone interact. energy: -0.565
local terms energy: -87.861627
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -18.656
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: -25.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -325.061713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.061713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.061713 (E_RNA)
where:
Base-Base interactions energy: -223.940
where: short stacking energy: -95.127
Base-Backbone interact. energy: -0.978
local terms energy: -100.143320
where:
bonds (distance) C4'-P energy: -7.110
bonds (distance) P-C4' energy: -24.324
flat angles C4'-P-C4' energy: -24.814
flat angles P-C4'-P energy: -13.620
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: 7, replica: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -202.681050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.681050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.681050 (E_RNA)
where:
Base-Base interactions energy: -123.335
where: short stacking energy: -64.278
Base-Backbone interact. energy: 4.933
local terms energy: -84.278398
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -16.856
tors. eta vs tors. theta energy: -16.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -132.129870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.129870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.129870 (E_RNA)
where:
Base-Base interactions energy: -61.111
where: short stacking energy: -30.940
Base-Backbone interact. energy: -0.805
local terms energy: -70.214580
where:
bonds (distance) C4'-P energy: -20.313
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -20.353
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -3.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -110.295738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.295738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.295738 (E_RNA)
where:
Base-Base interactions energy: -40.657
where: short stacking energy: -29.588
Base-Backbone interact. energy: -0.345
local terms energy: -69.293751
where:
bonds (distance) C4'-P energy: -19.636
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -4.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -106.680401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.680401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.680401 (E_RNA)
where:
Base-Base interactions energy: -32.052
where: short stacking energy: -28.067
Base-Backbone interact. energy: -0.403
local terms energy: -74.225169
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -20.627
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -15.143
tors. eta vs tors. theta energy: -3.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -393.280071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.280071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.280071 (E_RNA)
where:
Base-Base interactions energy: -284.143
where: short stacking energy: -120.154
Base-Backbone interact. energy: -0.002
local terms energy: -109.135538
where:
bonds (distance) C4'-P energy: -20.072
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -25.890
flat angles P-C4'-P energy: -16.606
tors. eta vs tors. theta energy: -31.056
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: 9
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -390.254903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.254903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.254903 (E_RNA)
where:
Base-Base interactions energy: -276.413
where: short stacking energy: -108.961
Base-Backbone interact. energy: -0.017
local terms energy: -113.825000
where:
bonds (distance) C4'-P energy: -20.387
bonds (distance) P-C4' energy: -20.780
flat angles C4'-P-C4' energy: -23.870
flat angles P-C4'-P energy: -17.230
tors. eta vs tors. theta energy: -31.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -366.516959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.516959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.516959 (E_RNA)
where:
Base-Base interactions energy: -243.695
where: short stacking energy: -105.409
Base-Backbone interact. energy: -0.368
local terms energy: -122.454340
where:
bonds (distance) C4'-P energy: -24.696
bonds (distance) P-C4' energy: -24.687
flat angles C4'-P-C4' energy: -24.918
flat angles P-C4'-P energy: -13.744
tors. eta vs tors. theta energy: -34.411
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: 4
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -330.072476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.072476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.072476 (E_RNA)
where:
Base-Base interactions energy: -221.954
where: short stacking energy: -96.300
Base-Backbone interact. energy: -0.490
local terms energy: -107.629188
where:
bonds (distance) C4'-P energy: -20.322
bonds (distance) P-C4' energy: -23.242
flat angles C4'-P-C4' energy: -24.818
flat angles P-C4'-P energy: -10.013
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: 5, replica: 10
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -331.564738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.564738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.564738 (E_RNA)
where:
Base-Base interactions energy: -231.873
where: short stacking energy: -94.635
Base-Backbone interact. energy: 0.445
local terms energy: -100.136977
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -20.949
flat angles C4'-P-C4' energy: -21.327
flat angles P-C4'-P energy: -18.329
tors. eta vs tors. theta energy: -26.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -298.485430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.485430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.485430 (E_RNA)
where:
Base-Base interactions energy: -199.639
where: short stacking energy: -93.769
Base-Backbone interact. energy: -0.158
local terms energy: -98.688208
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -20.676
flat angles P-C4'-P energy: -15.017
tors. eta vs tors. theta energy: -29.911
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: 8
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -252.267525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.267525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.267525 (E_RNA)
where:
Base-Base interactions energy: -156.234
where: short stacking energy: -77.473
Base-Backbone interact. energy: -1.071
local terms energy: -94.962135
where:
bonds (distance) C4'-P energy: -18.868
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -23.160
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -18.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -154.905956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.905956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.905956 (E_RNA)
where:
Base-Base interactions energy: -80.435
where: short stacking energy: -62.451
Base-Backbone interact. energy: -0.186
local terms energy: -74.285140
where:
bonds (distance) C4'-P energy: -22.291
bonds (distance) P-C4' energy: -20.890
flat angles C4'-P-C4' energy: -10.379
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -11.630
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: 342
Temperature: 1.300000
Total energy: -114.844588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.844588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.844588 (E_RNA)
where:
Base-Base interactions energy: -47.277
where: short stacking energy: -28.003
Base-Backbone interact. energy: -0.449
local terms energy: -67.118680
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -19.082
flat angles C4'-P-C4' energy: -21.836
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: 2.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -113.244408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.244408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.244408 (E_RNA)
where:
Base-Base interactions energy: -62.631
where: short stacking energy: -25.911
Base-Backbone interact. energy: -0.075
local terms energy: -50.538383
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -9.068
flat angles P-C4'-P energy: -11.024
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: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -387.880166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.880166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.880166 (E_RNA)
where:
Base-Base interactions energy: -273.081
where: short stacking energy: -116.780
Base-Backbone interact. energy: -0.006
local terms energy: -114.792447
where:
bonds (distance) C4'-P energy: -21.228
bonds (distance) P-C4' energy: -23.848
flat angles C4'-P-C4' energy: -22.059
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -34.124
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: 9
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -393.912678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.912678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.912678 (E_RNA)
where:
Base-Base interactions energy: -278.138
where: short stacking energy: -110.001
Base-Backbone interact. energy: -0.329
local terms energy: -115.445389
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -24.858
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -37.655
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: 3, replica: 2
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -363.318753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.318753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.318753 (E_RNA)
where:
Base-Base interactions energy: -252.279
where: short stacking energy: -111.686
Base-Backbone interact. energy: -0.399
local terms energy: -110.641030
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -22.472
flat angles C4'-P-C4' energy: -24.800
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -33.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -338.709325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.709325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.709325 (E_RNA)
where:
Base-Base interactions energy: -234.510
where: short stacking energy: -104.916
Base-Backbone interact. energy: -0.032
local terms energy: -104.167431
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -23.694
flat angles C4'-P-C4' energy: -21.437
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -33.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -306.898117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.898117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.898117 (E_RNA)
where:
Base-Base interactions energy: -207.609
where: short stacking energy: -91.679
Base-Backbone interact. energy: 0.180
local terms energy: -99.468339
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -21.751
flat angles C4'-P-C4' energy: -22.592
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -24.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -272.164766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.164766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.164766 (E_RNA)
where:
Base-Base interactions energy: -184.396
where: short stacking energy: -83.740
Base-Backbone interact. energy: -0.106
local terms energy: -87.662752
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -20.168
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -23.639
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: 7, replica: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -212.820896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.820896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.820896 (E_RNA)
where:
Base-Base interactions energy: -125.271
where: short stacking energy: -62.084
Base-Backbone interact. energy: -0.102
local terms energy: -87.447413
where:
bonds (distance) C4'-P energy: -18.590
bonds (distance) P-C4' energy: -23.883
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -18.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -151.415838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.415838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.415838 (E_RNA)
where:
Base-Base interactions energy: -73.384
where: short stacking energy: -35.102
Base-Backbone interact. energy: -0.212
local terms energy: -77.819851
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -24.067
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -11.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -110.699422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.699422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.699422 (E_RNA)
where:
Base-Base interactions energy: -46.144
where: short stacking energy: -44.267
Base-Backbone interact. energy: -0.288
local terms energy: -64.267220
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -4.875
tors. eta vs tors. theta energy: -11.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -108.953304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.953304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.953304 (E_RNA)
where:
Base-Base interactions energy: -38.252
where: short stacking energy: -26.825
Base-Backbone interact. energy: -0.151
local terms energy: -70.550049
where:
bonds (distance) C4'-P energy: -22.084
bonds (distance) P-C4' energy: -18.244
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -2.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -390.395631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.395631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.395631 (E_RNA)
where:
Base-Base interactions energy: -277.191
where: short stacking energy: -109.657
Base-Backbone interact. energy: -0.169
local terms energy: -113.035520
where:
bonds (distance) C4'-P energy: -21.182
bonds (distance) P-C4' energy: -18.603
flat angles C4'-P-C4' energy: -23.522
flat angles P-C4'-P energy: -14.698
tors. eta vs tors. theta energy: -35.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -391.537702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.537702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.537702 (E_RNA)
where:
Base-Base interactions energy: -266.463
where: short stacking energy: -108.774
Base-Backbone interact. energy: -0.040
local terms energy: -125.035340
where:
bonds (distance) C4'-P energy: -24.332
bonds (distance) P-C4' energy: -24.204
flat angles C4'-P-C4' energy: -26.026
flat angles P-C4'-P energy: -16.589
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: 3, replica: 2
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -368.336664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.336664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.336664 (E_RNA)
where:
Base-Base interactions energy: -261.142
where: short stacking energy: -118.269
Base-Backbone interact. energy: 0.771
local terms energy: -107.965477
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -23.628
flat angles P-C4'-P energy: -13.754
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: 4, replica: 10
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -341.823765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.823765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.823765 (E_RNA)
where:
Base-Base interactions energy: -241.995
where: short stacking energy: -104.247
Base-Backbone interact. energy: -0.218
local terms energy: -99.611343
where:
bonds (distance) C4'-P energy: -20.125
bonds (distance) P-C4' energy: -19.829
flat angles C4'-P-C4' energy: -22.734
flat angles P-C4'-P energy: -5.749
tors. eta vs tors. theta energy: -31.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -279.860170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.860170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.860170 (E_RNA)
where:
Base-Base interactions energy: -182.679
where: short stacking energy: -88.914
Base-Backbone interact. energy: -0.100
local terms energy: -97.081086
where:
bonds (distance) C4'-P energy: -21.799
bonds (distance) P-C4' energy: -21.493
flat angles C4'-P-C4' energy: -19.120
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -22.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -284.967524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.967524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.967524 (E_RNA)
where:
Base-Base interactions energy: -193.657
where: short stacking energy: -79.828
Base-Backbone interact. energy: -0.987
local terms energy: -90.323583
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -15.959
tors. eta vs tors. theta energy: -25.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -231.954671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.954671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.954671 (E_RNA)
where:
Base-Base interactions energy: -144.295
where: short stacking energy: -75.914
Base-Backbone interact. energy: -0.185
local terms energy: -87.473932
where:
bonds (distance) C4'-P energy: -18.838
bonds (distance) P-C4' energy: -20.006
flat angles C4'-P-C4' energy: -20.879
flat angles P-C4'-P energy: -8.171
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: 8, replica: 7
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -115.638819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.638819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.638819 (E_RNA)
where:
Base-Base interactions energy: -48.325
where: short stacking energy: -31.194
Base-Backbone interact. energy: -0.795
local terms energy: -66.519057
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -21.492
flat angles C4'-P-C4' energy: -20.817
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -1.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -112.613238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.613238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.613238 (E_RNA)
where:
Base-Base interactions energy: -35.301
where: short stacking energy: -35.301
Base-Backbone interact. energy: -0.534
local terms energy: -76.778606
where:
bonds (distance) C4'-P energy: -24.143
bonds (distance) P-C4' energy: -22.583
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -1.486
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: 10, replica: 1
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -104.572894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.572894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.572894 (E_RNA)
where:
Base-Base interactions energy: -45.440
where: short stacking energy: -21.732
Base-Backbone interact. energy: 2.781
local terms energy: -61.913650
where:
bonds (distance) C4'-P energy: -16.990
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -20.875
flat angles P-C4'-P energy: -5.391
tors. eta vs tors. theta energy: -1.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -386.381509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.381509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.381509 (E_RNA)
where:
Base-Base interactions energy: -268.323
where: short stacking energy: -109.179
Base-Backbone interact. energy: -0.001
local terms energy: -118.056831
where:
bonds (distance) C4'-P energy: -22.001
bonds (distance) P-C4' energy: -21.335
flat angles C4'-P-C4' energy: -24.142
flat angles P-C4'-P energy: -18.046
tors. eta vs tors. theta energy: -32.532
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: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -365.487151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.487151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.487151 (E_RNA)
where:
Base-Base interactions energy: -251.583
where: short stacking energy: -103.165
Base-Backbone interact. energy: -0.288
local terms energy: -113.616390
where:
bonds (distance) C4'-P energy: -20.660
bonds (distance) P-C4' energy: -21.121
flat angles C4'-P-C4' energy: -23.036
flat angles P-C4'-P energy: -15.392
tors. eta vs tors. theta energy: -33.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -382.606891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.606891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.606891 (E_RNA)
where:
Base-Base interactions energy: -263.998
where: short stacking energy: -102.414
Base-Backbone interact. energy: -0.799
local terms energy: -117.810219
where:
bonds (distance) C4'-P energy: -22.158
bonds (distance) P-C4' energy: -24.046
flat angles C4'-P-C4' energy: -24.625
flat angles P-C4'-P energy: -14.991
tors. eta vs tors. theta energy: -31.990
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: 10
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -351.721524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.721524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.721524 (E_RNA)
where:
Base-Base interactions energy: -239.436
where: short stacking energy: -102.841
Base-Backbone interact. energy: -0.113
local terms energy: -112.172547
where:
bonds (distance) C4'-P energy: -23.364
bonds (distance) P-C4' energy: -17.518
flat angles C4'-P-C4' energy: -22.295
flat angles P-C4'-P energy: -18.242
tors. eta vs tors. theta energy: -30.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -289.172785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.172785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.172785 (E_RNA)
where:
Base-Base interactions energy: -182.816
where: short stacking energy: -86.913
Base-Backbone interact. energy: -0.140
local terms energy: -106.216011
where:
bonds (distance) C4'-P energy: -23.893
bonds (distance) P-C4' energy: -22.099
flat angles C4'-P-C4' energy: -22.320
flat angles P-C4'-P energy: -13.370
tors. eta vs tors. theta energy: -24.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -280.259956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.259956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.259956 (E_RNA)
where:
Base-Base interactions energy: -184.050
where: short stacking energy: -84.710
Base-Backbone interact. energy: -1.178
local terms energy: -95.032152
where:
bonds (distance) C4'-P energy: -12.026
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -22.718
flat angles P-C4'-P energy: -15.335
tors. eta vs tors. theta energy: -28.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -206.075525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.075525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.075525 (E_RNA)
where:
Base-Base interactions energy: -125.493
where: short stacking energy: -70.371
Base-Backbone interact. energy: 0.387
local terms energy: -80.969038
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -19.547
flat angles C4'-P-C4' energy: -18.481
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -15.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -135.978412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.978412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.978412 (E_RNA)
where:
Base-Base interactions energy: -68.816
where: short stacking energy: -34.367
Base-Backbone interact. energy: -0.536
local terms energy: -66.626303
where:
bonds (distance) C4'-P energy: -19.757
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: 1.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -102.882014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.882014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.882014 (E_RNA)
where:
Base-Base interactions energy: -40.716
where: short stacking energy: -40.716
Base-Backbone interact. energy: 0.198
local terms energy: -62.363791
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -4.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -99.171835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.171835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.171835 (E_RNA)
where:
Base-Base interactions energy: -33.333
where: short stacking energy: -27.496
Base-Backbone interact. energy: 0.464
local terms energy: -66.303256
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: -23.334
flat angles C4'-P-C4' energy: -8.729
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -4.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -389.703527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.703527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.703527 (E_RNA)
where:
Base-Base interactions energy: -272.918
where: short stacking energy: -109.239
Base-Backbone interact. energy: -1.119
local terms energy: -115.666901
where:
bonds (distance) C4'-P energy: -18.433
bonds (distance) P-C4' energy: -24.283
flat angles C4'-P-C4' energy: -26.932
flat angles P-C4'-P energy: -14.396
tors. eta vs tors. theta energy: -31.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -371.893443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.893443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.893443 (E_RNA)
where:
Base-Base interactions energy: -252.004
where: short stacking energy: -112.583
Base-Backbone interact. energy: -0.684
local terms energy: -119.206080
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -24.952
flat angles C4'-P-C4' energy: -25.557
flat angles P-C4'-P energy: -18.199
tors. eta vs tors. theta energy: -33.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -382.963356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.963356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.963356 (E_RNA)
where:
Base-Base interactions energy: -263.707
where: short stacking energy: -105.653
Base-Backbone interact. energy: -0.083
local terms energy: -119.172654
where:
bonds (distance) C4'-P energy: -25.628
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -26.056
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: -35.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -340.228232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.228232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.228232 (E_RNA)
where:
Base-Base interactions energy: -243.988
where: short stacking energy: -91.728
Base-Backbone interact. energy: -0.394
local terms energy: -95.846324
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -17.511
flat angles C4'-P-C4' energy: -22.490
flat angles P-C4'-P energy: -14.649
tors. eta vs tors. theta energy: -22.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -310.823964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.823964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.823964 (E_RNA)
where:
Base-Base interactions energy: -210.272
where: short stacking energy: -90.465
Base-Backbone interact. energy: -0.142
local terms energy: -100.409963
where:
bonds (distance) C4'-P energy: -20.235
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -19.482
flat angles P-C4'-P energy: -15.592
tors. eta vs tors. theta energy: -29.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -272.470976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.470976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.470976 (E_RNA)
where:
Base-Base interactions energy: -190.203
where: short stacking energy: -78.271
Base-Backbone interact. energy: -0.225
local terms energy: -82.042280
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -19.358
flat angles C4'-P-C4' energy: -21.912
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -18.744
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: 8
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -196.893908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.893908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.893908 (E_RNA)
where:
Base-Base interactions energy: -115.584
where: short stacking energy: -49.022
Base-Backbone interact. energy: -2.066
local terms energy: -79.243997
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -17.349
tors. eta vs tors. theta energy: -9.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -139.568259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.568259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.568259 (E_RNA)
where:
Base-Base interactions energy: -70.093
where: short stacking energy: -43.698
Base-Backbone interact. energy: -1.266
local terms energy: -68.209207
where:
bonds (distance) C4'-P energy: -18.115
bonds (distance) P-C4' energy: -21.126
flat angles C4'-P-C4' energy: -9.961
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -11.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -113.522272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.522272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.522272 (E_RNA)
where:
Base-Base interactions energy: -44.760
where: short stacking energy: -39.484
Base-Backbone interact. energy: -0.201
local terms energy: -68.561092
where:
bonds (distance) C4'-P energy: -23.460
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: 0.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -107.596345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.596345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.596345 (E_RNA)
where:
Base-Base interactions energy: -35.683
where: short stacking energy: -27.497
Base-Backbone interact. energy: -0.695
local terms energy: -71.218544
where:
bonds (distance) C4'-P energy: -17.724
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -4.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -393.604002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.604002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.604002 (E_RNA)
where:
Base-Base interactions energy: -277.792
where: short stacking energy: -116.059
Base-Backbone interact. energy: -0.086
local terms energy: -115.725119
where:
bonds (distance) C4'-P energy: -20.093
bonds (distance) P-C4' energy: -21.456
flat angles C4'-P-C4' energy: -24.617
flat angles P-C4'-P energy: -15.283
tors. eta vs tors. theta energy: -34.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -386.243445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.243445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.243445 (E_RNA)
where:
Base-Base interactions energy: -267.641
where: short stacking energy: -112.664
Base-Backbone interact. energy: -0.105
local terms energy: -118.496728
where:
bonds (distance) C4'-P energy: -22.150
bonds (distance) P-C4' energy: -19.052
flat angles C4'-P-C4' energy: -22.728
flat angles P-C4'-P energy: -18.166
tors. eta vs tors. theta energy: -36.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -371.389571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.389571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.389571 (E_RNA)
where:
Base-Base interactions energy: -253.073
where: short stacking energy: -106.215
Base-Backbone interact. energy: -0.598
local terms energy: -117.718393
where:
bonds (distance) C4'-P energy: -20.498
bonds (distance) P-C4' energy: -24.659
flat angles C4'-P-C4' energy: -23.736
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -34.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -326.100881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.100881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.100881 (E_RNA)
where:
Base-Base interactions energy: -218.253
where: short stacking energy: -91.393
Base-Backbone interact. energy: -0.005
local terms energy: -107.842715
where:
bonds (distance) C4'-P energy: -18.454
bonds (distance) P-C4' energy: -21.763
flat angles C4'-P-C4' energy: -21.712
flat angles P-C4'-P energy: -15.813
tors. eta vs tors. theta energy: -30.100
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: 5, replica: 10
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -339.023147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.023147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.023147 (E_RNA)
where:
Base-Base interactions energy: -244.641
where: short stacking energy: -93.235
Base-Backbone interact. energy: -0.076
local terms energy: -94.306894
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -18.735
flat angles C4'-P-C4' energy: -22.657
flat angles P-C4'-P energy: -14.670
tors. eta vs tors. theta energy: -26.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -278.562036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.562036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.562036 (E_RNA)
where:
Base-Base interactions energy: -186.734
where: short stacking energy: -75.817
Base-Backbone interact. energy: -0.225
local terms energy: -91.602410
where:
bonds (distance) C4'-P energy: -23.141
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -23.401
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -20.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -204.710881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.710881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.710881 (E_RNA)
where:
Base-Base interactions energy: -129.320
where: short stacking energy: -57.874
Base-Backbone interact. energy: -0.323
local terms energy: -75.067660
where:
bonds (distance) C4'-P energy: -17.028
bonds (distance) P-C4' energy: -22.834
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -11.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -148.427472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.427472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.427472 (E_RNA)
where:
Base-Base interactions energy: -78.760
where: short stacking energy: -49.251
Base-Backbone interact. energy: -0.545
local terms energy: -69.122514
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -22.139
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -8.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -109.230541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.230541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.230541 (E_RNA)
where:
Base-Base interactions energy: -32.697
where: short stacking energy: -31.610
Base-Backbone interact. energy: -0.065
local terms energy: -76.468481
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -23.814
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -4.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -104.117058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.117058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.117058 (E_RNA)
where:
Base-Base interactions energy: -31.337
where: short stacking energy: -27.692
Base-Backbone interact. energy: -0.555
local terms energy: -72.224749
where:
bonds (distance) C4'-P energy: -18.222
bonds (distance) P-C4' energy: -23.056
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -16.524
tors. eta vs tors. theta energy: 1.137
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: 1, replica: 5
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -393.830628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.830628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.830628 (E_RNA)
where:
Base-Base interactions energy: -273.192
where: short stacking energy: -111.163
Base-Backbone interact. energy: -0.708
local terms energy: -119.930589
where:
bonds (distance) C4'-P energy: -24.398
bonds (distance) P-C4' energy: -19.029
flat angles C4'-P-C4' energy: -22.609
flat angles P-C4'-P energy: -18.277
tors. eta vs tors. theta energy: -35.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -385.886767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.886767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.886767 (E_RNA)
where:
Base-Base interactions energy: -266.575
where: short stacking energy: -104.259
Base-Backbone interact. energy: -0.241
local terms energy: -119.070581
where:
bonds (distance) C4'-P energy: -22.900
bonds (distance) P-C4' energy: -24.099
flat angles C4'-P-C4' energy: -20.658
flat angles P-C4'-P energy: -17.539
tors. eta vs tors. theta energy: -33.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -359.197194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.197194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.197194 (E_RNA)
where:
Base-Base interactions energy: -242.564
where: short stacking energy: -97.140
Base-Backbone interact. energy: -0.488
local terms energy: -116.144656
where:
bonds (distance) C4'-P energy: -22.481
bonds (distance) P-C4' energy: -23.591
flat angles C4'-P-C4' energy: -22.822
flat angles P-C4'-P energy: -18.693
tors. eta vs tors. theta energy: -28.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -294.515369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.515369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.515369 (E_RNA)
where:
Base-Base interactions energy: -206.242
where: short stacking energy: -82.273
Base-Backbone interact. energy: -0.075
local terms energy: -88.197938
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -16.391
flat angles C4'-P-C4' energy: -21.266
flat angles P-C4'-P energy: -14.981
tors. eta vs tors. theta energy: -17.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -345.311760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.311760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.311760 (E_RNA)
where:
Base-Base interactions energy: -251.881
where: short stacking energy: -103.066
Base-Backbone interact. energy: -0.253
local terms energy: -93.177478
where:
bonds (distance) C4'-P energy: -18.122
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -21.490
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -28.470
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: 3
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -275.639474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.639474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.639474 (E_RNA)
where:
Base-Base interactions energy: -179.541
where: short stacking energy: -70.066
Base-Backbone interact. energy: 0.054
local terms energy: -96.152881
where:
bonds (distance) C4'-P energy: -19.704
bonds (distance) P-C4' energy: -23.502
flat angles C4'-P-C4' energy: -20.507
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -20.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -214.211898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.211898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.211898 (E_RNA)
where:
Base-Base interactions energy: -134.354
where: short stacking energy: -58.470
Base-Backbone interact. energy: -0.155
local terms energy: -79.703262
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -22.405
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -9.310
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: 1
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -165.414625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.414625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.414625 (E_RNA)
where:
Base-Base interactions energy: -82.445
where: short stacking energy: -46.882
Base-Backbone interact. energy: -0.768
local terms energy: -82.201833
where:
bonds (distance) C4'-P energy: -18.724
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -18.802
flat angles P-C4'-P energy: -15.952
tors. eta vs tors. theta energy: -9.791
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: 7
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -109.796252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.796252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.796252 (E_RNA)
where:
Base-Base interactions energy: -31.394
where: short stacking energy: -27.869
Base-Backbone interact. energy: -0.051
local terms energy: -78.352104
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -22.032
flat angles P-C4'-P energy: -18.123
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: 10, replica: 6
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -101.770406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.770406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.770406 (E_RNA)
where:
Base-Base interactions energy: -47.077
where: short stacking energy: -26.198
Base-Backbone interact. energy: -0.125
local terms energy: -54.569273
where:
bonds (distance) C4'-P energy: -10.398
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -18.983
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: 4.634
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: 5
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -396.548553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.548553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.548553 (E_RNA)
where:
Base-Base interactions energy: -278.989
where: short stacking energy: -113.334
Base-Backbone interact. energy: -0.003
local terms energy: -117.556352
where:
bonds (distance) C4'-P energy: -22.606
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -25.129
flat angles P-C4'-P energy: -15.128
tors. eta vs tors. theta energy: -33.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -388.219240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.219240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.219240 (E_RNA)
where:
Base-Base interactions energy: -274.174
where: short stacking energy: -112.287
Base-Backbone interact. energy: -0.297
local terms energy: -113.748087
where:
bonds (distance) C4'-P energy: -18.281
bonds (distance) P-C4' energy: -23.285
flat angles C4'-P-C4' energy: -21.516
flat angles P-C4'-P energy: -18.062
tors. eta vs tors. theta energy: -32.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -352.439334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.439334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.439334 (E_RNA)
where:
Base-Base interactions energy: -244.140
where: short stacking energy: -100.586
Base-Backbone interact. energy: -0.429
local terms energy: -107.870279
where:
bonds (distance) C4'-P energy: -21.344
bonds (distance) P-C4' energy: -19.243
flat angles C4'-P-C4' energy: -19.326
flat angles P-C4'-P energy: -19.122
tors. eta vs tors. theta energy: -28.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -305.316702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.316702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.316702 (E_RNA)
where:
Base-Base interactions energy: -208.731
where: short stacking energy: -93.527
Base-Backbone interact. energy: -0.043
local terms energy: -96.542975
where:
bonds (distance) C4'-P energy: -21.248
bonds (distance) P-C4' energy: -20.979
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -24.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -340.349005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.349005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.349005 (E_RNA)
where:
Base-Base interactions energy: -234.351
where: short stacking energy: -102.429
Base-Backbone interact. energy: -0.102
local terms energy: -105.896250
where:
bonds (distance) C4'-P energy: -21.256
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -19.571
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -34.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -267.921852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.921852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.921852 (E_RNA)
where:
Base-Base interactions energy: -177.521
where: short stacking energy: -77.343
Base-Backbone interact. energy: -0.618
local terms energy: -89.783423
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -24.804
flat angles C4'-P-C4' energy: -22.697
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -16.067
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: 8
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -219.596282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.596282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.596282 (E_RNA)
where:
Base-Base interactions energy: -137.602
where: short stacking energy: -73.693
Base-Backbone interact. energy: -0.153
local terms energy: -81.842198
where:
bonds (distance) C4'-P energy: -19.091
bonds (distance) P-C4' energy: -20.925
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -12.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -103.194528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.194528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.194528 (E_RNA)
where:
Base-Base interactions energy: -32.677
where: short stacking energy: -27.169
Base-Backbone interact. energy: -0.393
local terms energy: -70.124594
where:
bonds (distance) C4'-P energy: -22.490
bonds (distance) P-C4' energy: -22.485
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -5.085
tors. eta vs tors. theta energy: -1.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -121.240330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.240330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.240330 (E_RNA)
where:
Base-Base interactions energy: -62.522
where: short stacking energy: -34.376
Base-Backbone interact. energy: -1.151
local terms energy: -57.567124
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -10.192
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -4.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -108.649448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.649448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.649448 (E_RNA)
where:
Base-Base interactions energy: -40.641
where: short stacking energy: -40.641
Base-Backbone interact. energy: -0.117
local terms energy: -67.890944
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -21.671
flat angles P-C4'-P energy: -13.591
tors. eta vs tors. theta energy: -5.222
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: 9
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -395.700410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.700410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.700410 (E_RNA)
where:
Base-Base interactions energy: -274.886
where: short stacking energy: -113.308
Base-Backbone interact. energy: 0.799
local terms energy: -121.613206
where:
bonds (distance) C4'-P energy: -20.949
bonds (distance) P-C4' energy: -24.811
flat angles C4'-P-C4' energy: -23.472
flat angles P-C4'-P energy: -19.389
tors. eta vs tors. theta energy: -32.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -384.005213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.005213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.005213 (E_RNA)
where:
Base-Base interactions energy: -274.248
where: short stacking energy: -117.165
Base-Backbone interact. energy: -0.003
local terms energy: -109.754226
where:
bonds (distance) C4'-P energy: -20.267
bonds (distance) P-C4' energy: -19.981
flat angles C4'-P-C4' energy: -19.870
flat angles P-C4'-P energy: -15.539
tors. eta vs tors. theta energy: -34.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -377.728327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.728327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.728327 (E_RNA)
where:
Base-Base interactions energy: -265.831
where: short stacking energy: -112.388
Base-Backbone interact. energy: 0.730
local terms energy: -112.627286
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -22.223
flat angles C4'-P-C4' energy: -24.222
flat angles P-C4'-P energy: -19.234
tors. eta vs tors. theta energy: -30.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -322.588739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.588739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.588739 (E_RNA)
where:
Base-Base interactions energy: -226.253
where: short stacking energy: -97.005
Base-Backbone interact. energy: -0.107
local terms energy: -96.229006
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -20.219
flat angles C4'-P-C4' energy: -20.267
flat angles P-C4'-P energy: -16.410
tors. eta vs tors. theta energy: -24.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -338.183024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.183024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.183024 (E_RNA)
where:
Base-Base interactions energy: -234.367
where: short stacking energy: -94.995
Base-Backbone interact. energy: -0.003
local terms energy: -103.813628
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -17.248
tors. eta vs tors. theta energy: -34.407
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: 6, replica: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -270.080154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.080154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.080154 (E_RNA)
where:
Base-Base interactions energy: -176.532
where: short stacking energy: -79.693
Base-Backbone interact. energy: -0.003
local terms energy: -93.545193
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -18.239
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -16.427
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: 7, replica: 8
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -253.269399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.269399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.269399 (E_RNA)
where:
Base-Base interactions energy: -170.985
where: short stacking energy: -68.164
Base-Backbone interact. energy: -0.078
local terms energy: -82.206918
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -20.129
flat angles C4'-P-C4' energy: -20.324
flat angles P-C4'-P energy: -9.495
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: 8, replica: 7
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -112.388954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.388954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.388954 (E_RNA)
where:
Base-Base interactions energy: -34.613
where: short stacking energy: -28.391
Base-Backbone interact. energy: 1.035
local terms energy: -78.810799
where:
bonds (distance) C4'-P energy: -25.301
bonds (distance) P-C4' energy: -26.107
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: 1.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -115.463463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.463463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.463463 (E_RNA)
where:
Base-Base interactions energy: -47.699
where: short stacking energy: -41.475
Base-Backbone interact. energy: 0.424
local terms energy: -68.188645
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -18.016
flat angles C4'-P-C4' energy: -19.610
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -110.290398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.290398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.290398 (E_RNA)
where:
Base-Base interactions energy: -42.514
where: short stacking energy: -38.864
Base-Backbone interact. energy: -0.393
local terms energy: -67.382868
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -17.152
flat angles C4'-P-C4' energy: -20.489
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -2.892
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: 9
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -396.516656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.516656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.516656 (E_RNA)
where:
Base-Base interactions energy: -275.783
where: short stacking energy: -114.158
Base-Backbone interact. energy: -0.285
local terms energy: -120.448587
where:
bonds (distance) C4'-P energy: -22.596
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -27.212
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -34.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -366.167003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.167003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.167003 (E_RNA)
where:
Base-Base interactions energy: -253.593
where: short stacking energy: -112.688
Base-Backbone interact. energy: -0.068
local terms energy: -112.505618
where:
bonds (distance) C4'-P energy: -19.906
bonds (distance) P-C4' energy: -20.912
flat angles C4'-P-C4' energy: -24.053
flat angles P-C4'-P energy: -16.621
tors. eta vs tors. theta energy: -31.014
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: 5
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -379.879636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.879636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.879636 (E_RNA)
where:
Base-Base interactions energy: -266.091
where: short stacking energy: -105.394
Base-Backbone interact. energy: -0.129
local terms energy: -113.659304
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -22.534
flat angles P-C4'-P energy: -14.935
tors. eta vs tors. theta energy: -33.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -349.535766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.535766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.535766 (E_RNA)
where:
Base-Base interactions energy: -242.760
where: short stacking energy: -108.517
Base-Backbone interact. energy: -0.023
local terms energy: -106.752972
where:
bonds (distance) C4'-P energy: -18.574
bonds (distance) P-C4' energy: -19.509
flat angles C4'-P-C4' energy: -22.434
flat angles P-C4'-P energy: -18.415
tors. eta vs tors. theta energy: -27.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -331.377872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.377872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.377872 (E_RNA)
where:
Base-Base interactions energy: -227.896
where: short stacking energy: -101.863
Base-Backbone interact. energy: -0.964
local terms energy: -102.518262
where:
bonds (distance) C4'-P energy: -19.434
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -24.420
flat angles P-C4'-P energy: -16.361
tors. eta vs tors. theta energy: -28.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -270.791969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.791969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.791969 (E_RNA)
where:
Base-Base interactions energy: -182.127
where: short stacking energy: -84.639
Base-Backbone interact. energy: 0.366
local terms energy: -89.031271
where:
bonds (distance) C4'-P energy: -22.393
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -20.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -264.241280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.241280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.241280 (E_RNA)
where:
Base-Base interactions energy: -179.382
where: short stacking energy: -74.840
Base-Backbone interact. energy: 0.224
local terms energy: -85.082775
where:
bonds (distance) C4'-P energy: -14.250
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -23.119
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -19.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -139.072582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.072582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.072582 (E_RNA)
where:
Base-Base interactions energy: -57.524
where: short stacking energy: -50.508
Base-Backbone interact. energy: -0.244
local terms energy: -81.305085
where:
bonds (distance) C4'-P energy: -25.512
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -5.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -109.352561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.352561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.352561 (E_RNA)
where:
Base-Base interactions energy: -42.596
where: short stacking energy: -36.905
Base-Backbone interact. energy: -0.253
local terms energy: -66.503306
where:
bonds (distance) C4'-P energy: -19.954
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -17.499
tors. eta vs tors. theta energy: 5.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -114.407590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.407590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.407590 (E_RNA)
where:
Base-Base interactions energy: -50.196
where: short stacking energy: -27.764
Base-Backbone interact. energy: -0.413
local terms energy: -63.798843
where:
bonds (distance) C4'-P energy: -18.006
bonds (distance) P-C4' energy: -18.726
flat angles C4'-P-C4' energy: -11.075
flat angles P-C4'-P energy: -13.290
tors. eta vs tors. theta energy: -2.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -383.723253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.723253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.723253 (E_RNA)
where:
Base-Base interactions energy: -275.708
where: short stacking energy: -104.814
Base-Backbone interact. energy: -0.071
local terms energy: -107.944413
where:
bonds (distance) C4'-P energy: -19.806
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -25.330
flat angles P-C4'-P energy: -22.308
tors. eta vs tors. theta energy: -28.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -385.993382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.993382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.993382 (E_RNA)
where:
Base-Base interactions energy: -274.407
where: short stacking energy: -112.779
Base-Backbone interact. energy: -0.687
local terms energy: -110.899336
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -19.760
flat angles C4'-P-C4' energy: -25.732
flat angles P-C4'-P energy: -13.446
tors. eta vs tors. theta energy: -32.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -374.836957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.836957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.836957 (E_RNA)
where:
Base-Base interactions energy: -265.683
where: short stacking energy: -111.373
Base-Backbone interact. energy: -0.016
local terms energy: -109.138442
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -21.664
flat angles C4'-P-C4' energy: -24.103
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -33.035
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: 352
Temperature: 1.050000
Total energy: -379.849405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.849405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.849405 (E_RNA)
where:
Base-Base interactions energy: -270.638
where: short stacking energy: -114.436
Base-Backbone interact. energy: -0.046
local terms energy: -109.165750
where:
bonds (distance) C4'-P energy: -20.930
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -22.540
flat angles P-C4'-P energy: -16.707
tors. eta vs tors. theta energy: -31.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -314.358819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.358819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.358819 (E_RNA)
where:
Base-Base interactions energy: -221.968
where: short stacking energy: -91.527
Base-Backbone interact. energy: -0.708
local terms energy: -91.683218
where:
bonds (distance) C4'-P energy: -20.636
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -24.279
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: 352
Temperature: 1.150000
Total energy: -291.295246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.295246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.295246 (E_RNA)
where:
Base-Base interactions energy: -195.867
where: short stacking energy: -87.137
Base-Backbone interact. energy: -0.259
local terms energy: -95.169562
where:
bonds (distance) C4'-P energy: -19.704
bonds (distance) P-C4' energy: -16.972
flat angles C4'-P-C4' energy: -21.013
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -26.064
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: 7, replica: 8
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -276.374296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.374296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.374296 (E_RNA)
where:
Base-Base interactions energy: -182.506
where: short stacking energy: -77.452
Base-Backbone interact. energy: -0.967
local terms energy: -92.901492
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -20.680
flat angles C4'-P-C4' energy: -23.068
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -19.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -136.614425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.614425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.614425 (E_RNA)
where:
Base-Base interactions energy: -77.288
where: short stacking energy: -42.765
Base-Backbone interact. energy: -0.916
local terms energy: -58.411281
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: 0.121
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: 1
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -117.112193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.112193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.112193 (E_RNA)
where:
Base-Base interactions energy: -55.989
where: short stacking energy: -42.234
Base-Backbone interact. energy: 3.420
local terms energy: -64.543056
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -18.980
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: 0.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -113.191029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.191029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.191029 (E_RNA)
where:
Base-Base interactions energy: -36.013
where: short stacking energy: -31.401
Base-Backbone interact. energy: -0.230
local terms energy: -76.947337
where:
bonds (distance) C4'-P energy: -18.613
bonds (distance) P-C4' energy: -20.524
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -13.875
tors. eta vs tors. theta energy: -7.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -383.271767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.271767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.271767 (E_RNA)
where:
Base-Base interactions energy: -277.674
where: short stacking energy: -102.838
Base-Backbone interact. energy: -0.124
local terms energy: -105.474002
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -19.627
flat angles C4'-P-C4' energy: -22.382
flat angles P-C4'-P energy: -15.292
tors. eta vs tors. theta energy: -30.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -387.968484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.968484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.968484 (E_RNA)
where:
Base-Base interactions energy: -275.508
where: short stacking energy: -113.323
Base-Backbone interact. energy: -0.102
local terms energy: -112.358011
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -20.086
flat angles C4'-P-C4' energy: -25.986
flat angles P-C4'-P energy: -15.090
tors. eta vs tors. theta energy: -34.702
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: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -382.694503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.694503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.694503 (E_RNA)
where:
Base-Base interactions energy: -277.122
where: short stacking energy: -109.977
Base-Backbone interact. energy: -0.118
local terms energy: -105.453938
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -20.811
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -35.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -367.901322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.901322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.901322 (E_RNA)
where:
Base-Base interactions energy: -264.017
where: short stacking energy: -102.614
Base-Backbone interact. energy: 0.261
local terms energy: -104.145817
where:
bonds (distance) C4'-P energy: -18.717
bonds (distance) P-C4' energy: -23.909
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -15.224
tors. eta vs tors. theta energy: -30.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -305.337176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.337176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.337176 (E_RNA)
where:
Base-Base interactions energy: -196.155
where: short stacking energy: -96.143
Base-Backbone interact. energy: -0.038
local terms energy: -109.144493
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -22.953
flat angles P-C4'-P energy: -17.834
tors. eta vs tors. theta energy: -30.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -288.592401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.592401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.592401 (E_RNA)
where:
Base-Base interactions energy: -183.156
where: short stacking energy: -91.481
Base-Backbone interact. energy: -0.007
local terms energy: -105.429274
where:
bonds (distance) C4'-P energy: -24.033
bonds (distance) P-C4' energy: -19.479
flat angles C4'-P-C4' energy: -20.192
flat angles P-C4'-P energy: -15.695
tors. eta vs tors. theta energy: -26.030
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: 7, replica: 8
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -258.152708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.152708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.152708 (E_RNA)
where:
Base-Base interactions energy: -164.497
where: short stacking energy: -70.359
Base-Backbone interact. energy: -0.612
local terms energy: -93.044626
where:
bonds (distance) C4'-P energy: -21.549
bonds (distance) P-C4' energy: -21.167
flat angles C4'-P-C4' energy: -22.724
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -17.627
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: 353
Temperature: 1.250000
Total energy: -104.683024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.683024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.683024 (E_RNA)
where:
Base-Base interactions energy: -43.155
where: short stacking energy: -40.336
Base-Backbone interact. energy: -2.243
local terms energy: -59.284682
where:
bonds (distance) C4'-P energy: -9.648
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -3.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -125.642812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.642812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.642812 (E_RNA)
where:
Base-Base interactions energy: -62.871
where: short stacking energy: -32.021
Base-Backbone interact. energy: 0.124
local terms energy: -62.896280
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -1.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -100.882583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.882583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.882583 (E_RNA)
where:
Base-Base interactions energy: -35.608
where: short stacking energy: -27.565
Base-Backbone interact. energy: -1.063
local terms energy: -64.212384
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -24.307
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: 0.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -392.010553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.010553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.010553 (E_RNA)
where:
Base-Base interactions energy: -274.022
where: short stacking energy: -114.258
Base-Backbone interact. energy: -0.148
local terms energy: -117.840557
where:
bonds (distance) C4'-P energy: -22.987
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -23.953
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -36.856
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: 2
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -370.952335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.952335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.952335 (E_RNA)
where:
Base-Base interactions energy: -255.659
where: short stacking energy: -112.385
Base-Backbone interact. energy: -0.555
local terms energy: -114.737538
where:
bonds (distance) C4'-P energy: -20.093
bonds (distance) P-C4' energy: -20.068
flat angles C4'-P-C4' energy: -23.451
flat angles P-C4'-P energy: -17.024
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: 3, replica: 9
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -386.979974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.979974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.979974 (E_RNA)
where:
Base-Base interactions energy: -268.506
where: short stacking energy: -108.852
Base-Backbone interact. energy: -0.225
local terms energy: -118.248586
where:
bonds (distance) C4'-P energy: -23.534
bonds (distance) P-C4' energy: -21.390
flat angles C4'-P-C4' energy: -21.206
flat angles P-C4'-P energy: -19.097
tors. eta vs tors. theta energy: -33.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -381.447109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.447109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.447109 (E_RNA)
where:
Base-Base interactions energy: -265.339
where: short stacking energy: -109.208
Base-Backbone interact. energy: -0.007
local terms energy: -116.101473
where:
bonds (distance) C4'-P energy: -17.626
bonds (distance) P-C4' energy: -21.369
flat angles C4'-P-C4' energy: -25.645
flat angles P-C4'-P energy: -16.400
tors. eta vs tors. theta energy: -35.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -311.627032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.627032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.627032 (E_RNA)
where:
Base-Base interactions energy: -221.447
where: short stacking energy: -90.570
Base-Backbone interact. energy: -0.739
local terms energy: -89.441628
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -19.143
flat angles P-C4'-P energy: -13.451
tors. eta vs tors. theta energy: -21.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -297.932805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.932805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.932805 (E_RNA)
where:
Base-Base interactions energy: -205.711
where: short stacking energy: -88.238
Base-Backbone interact. energy: -1.560
local terms energy: -90.661168
where:
bonds (distance) C4'-P energy: -18.337
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -19.798
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -21.364
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: 8
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -244.218929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.218929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.218929 (E_RNA)
where:
Base-Base interactions energy: -156.157
where: short stacking energy: -69.427
Base-Backbone interact. energy: -0.342
local terms energy: -87.719489
where:
bonds (distance) C4'-P energy: -19.686
bonds (distance) P-C4' energy: -20.529
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -17.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -108.631649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.631649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.631649 (E_RNA)
where:
Base-Base interactions energy: -41.258
where: short stacking energy: -41.195
Base-Backbone interact. energy: -1.433
local terms energy: -65.940448
where:
bonds (distance) C4'-P energy: -18.876
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -2.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -122.302962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.302962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.302962 (E_RNA)
where:
Base-Base interactions energy: -57.856
where: short stacking energy: -38.695
Base-Backbone interact. energy: 1.333
local terms energy: -65.779906
where:
bonds (distance) C4'-P energy: -23.765
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -3.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -99.341243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.341243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.341243 (E_RNA)
where:
Base-Base interactions energy: -27.574
where: short stacking energy: -27.456
Base-Backbone interact. energy: 4.930
local terms energy: -76.697355
where:
bonds (distance) C4'-P energy: -22.882
bonds (distance) P-C4' energy: -22.608
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -3.135
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: 5
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -400.745961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.745961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.745961 (E_RNA)
where:
Base-Base interactions energy: -278.885
where: short stacking energy: -110.568
Base-Backbone interact. energy: -0.384
local terms energy: -121.476885
where:
bonds (distance) C4'-P energy: -21.323
bonds (distance) P-C4' energy: -24.025
flat angles C4'-P-C4' energy: -22.672
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -36.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -383.587751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.587751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.587751 (E_RNA)
where:
Base-Base interactions energy: -277.797
where: short stacking energy: -113.019
Base-Backbone interact. energy: -0.032
local terms energy: -105.758535
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -26.363
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -33.336
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: 2
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -361.173135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.173135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.173135 (E_RNA)
where:
Base-Base interactions energy: -246.616
where: short stacking energy: -106.437
Base-Backbone interact. energy: -0.006
local terms energy: -114.551424
where:
bonds (distance) C4'-P energy: -19.409
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -24.287
flat angles P-C4'-P energy: -14.833
tors. eta vs tors. theta energy: -34.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -310.921542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.921542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.921542 (E_RNA)
where:
Base-Base interactions energy: -205.968
where: short stacking energy: -86.291
Base-Backbone interact. energy: -0.637
local terms energy: -104.316819
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -20.910
flat angles C4'-P-C4' energy: -22.388
flat angles P-C4'-P energy: -15.486
tors. eta vs tors. theta energy: -25.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -373.575178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.575178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.575178 (E_RNA)
where:
Base-Base interactions energy: -267.143
where: short stacking energy: -108.234
Base-Backbone interact. energy: -0.009
local terms energy: -106.423229
where:
bonds (distance) C4'-P energy: -20.767
bonds (distance) P-C4' energy: -20.557
flat angles C4'-P-C4' energy: -24.430
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -32.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -282.839018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.839018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.839018 (E_RNA)
where:
Base-Base interactions energy: -179.010
where: short stacking energy: -84.267
Base-Backbone interact. energy: 0.268
local terms energy: -104.096705
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -21.450
flat angles C4'-P-C4' energy: -19.327
flat angles P-C4'-P energy: -17.375
tors. eta vs tors. theta energy: -27.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -217.365354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.365354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.365354 (E_RNA)
where:
Base-Base interactions energy: -129.073
where: short stacking energy: -59.059
Base-Backbone interact. energy: -0.222
local terms energy: -88.069853
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -21.570
flat angles C4'-P-C4' energy: -23.219
flat angles P-C4'-P energy: -15.018
tors. eta vs tors. theta energy: -13.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -125.920475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.920475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.920475 (E_RNA)
where:
Base-Base interactions energy: -46.213
where: short stacking energy: -46.213
Base-Backbone interact. energy: -0.101
local terms energy: -79.606900
where:
bonds (distance) C4'-P energy: -20.200
bonds (distance) P-C4' energy: -20.252
flat angles C4'-P-C4' energy: -19.101
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -9.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -119.696550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.696550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.696550 (E_RNA)
where:
Base-Base interactions energy: -52.837
where: short stacking energy: -25.658
Base-Backbone interact. energy: -0.760
local terms energy: -66.099789
where:
bonds (distance) C4'-P energy: -19.321
bonds (distance) P-C4' energy: -19.549
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -0.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -106.963719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.963719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.963719 (E_RNA)
where:
Base-Base interactions energy: -35.947
where: short stacking energy: -20.272
Base-Backbone interact. energy: -0.164
local terms energy: -70.853476
where:
bonds (distance) C4'-P energy: -21.025
bonds (distance) P-C4' energy: -20.715
flat angles C4'-P-C4' energy: -19.135
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: 2.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -390.794792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.794792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.794792 (E_RNA)
where:
Base-Base interactions energy: -272.006
where: short stacking energy: -109.533
Base-Backbone interact. energy: -0.071
local terms energy: -118.717437
where:
bonds (distance) C4'-P energy: -21.785
bonds (distance) P-C4' energy: -22.140
flat angles C4'-P-C4' energy: -22.949
flat angles P-C4'-P energy: -18.828
tors. eta vs tors. theta energy: -33.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -392.489072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.489072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.489072 (E_RNA)
where:
Base-Base interactions energy: -282.176
where: short stacking energy: -114.217
Base-Backbone interact. energy: -0.004
local terms energy: -110.308550
where:
bonds (distance) C4'-P energy: -18.151
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -24.629
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -32.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -370.248011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.248011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.248011 (E_RNA)
where:
Base-Base interactions energy: -253.520
where: short stacking energy: -113.024
Base-Backbone interact. energy: -0.006
local terms energy: -116.722237
where:
bonds (distance) C4'-P energy: -20.411
bonds (distance) P-C4' energy: -20.580
flat angles C4'-P-C4' energy: -25.439
flat angles P-C4'-P energy: -16.062
tors. eta vs tors. theta energy: -34.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -317.285560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.285560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.285560 (E_RNA)
where:
Base-Base interactions energy: -219.304
where: short stacking energy: -99.975
Base-Backbone interact. energy: -0.307
local terms energy: -97.674614
where:
bonds (distance) C4'-P energy: -21.433
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -19.423
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -26.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -366.849108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.849108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.849108 (E_RNA)
where:
Base-Base interactions energy: -255.208
where: short stacking energy: -111.418
Base-Backbone interact. energy: -0.002
local terms energy: -111.639365
where:
bonds (distance) C4'-P energy: -18.027
bonds (distance) P-C4' energy: -25.589
flat angles C4'-P-C4' energy: -20.292
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: -32.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -296.313652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.313652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.313652 (E_RNA)
where:
Base-Base interactions energy: -191.282
where: short stacking energy: -92.103
Base-Backbone interact. energy: -0.083
local terms energy: -104.948133
where:
bonds (distance) C4'-P energy: -19.707
bonds (distance) P-C4' energy: -23.095
flat angles C4'-P-C4' energy: -19.708
flat angles P-C4'-P energy: -14.078
tors. eta vs tors. theta energy: -28.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -220.475775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.475775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.475775 (E_RNA)
where:
Base-Base interactions energy: -136.779
where: short stacking energy: -63.095
Base-Backbone interact. energy: -0.568
local terms energy: -83.128756
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -21.569
flat angles C4'-P-C4' energy: -19.047
flat angles P-C4'-P energy: -12.727
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: 6
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -157.856099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.856099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.856099 (E_RNA)
where:
Base-Base interactions energy: -76.478
where: short stacking energy: -44.167
Base-Backbone interact. energy: -0.481
local terms energy: -80.897851
where:
bonds (distance) C4'-P energy: -16.527
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -17.252
tors. eta vs tors. theta energy: -11.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -124.618410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.618410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.618410 (E_RNA)
where:
Base-Base interactions energy: -56.513
where: short stacking energy: -40.178
Base-Backbone interact. energy: -0.017
local terms energy: -68.088189
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -20.315
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -6.393
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: 1
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -95.727851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.727851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.727851 (E_RNA)
where:
Base-Base interactions energy: -31.490
where: short stacking energy: -30.079
Base-Backbone interact. energy: -0.166
local terms energy: -64.071529
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -21.939
flat angles C4'-P-C4' energy: -19.050
flat angles P-C4'-P energy: -5.939
tors. eta vs tors. theta energy: -0.731
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: 5
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -390.553068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.553068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.553068 (E_RNA)
where:
Base-Base interactions energy: -268.397
where: short stacking energy: -109.730
Base-Backbone interact. energy: -0.078
local terms energy: -122.077385
where:
bonds (distance) C4'-P energy: -23.861
bonds (distance) P-C4' energy: -24.471
flat angles C4'-P-C4' energy: -21.500
flat angles P-C4'-P energy: -16.342
tors. eta vs tors. theta energy: -35.903
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: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -373.956467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.956467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.956467 (E_RNA)
where:
Base-Base interactions energy: -257.053
where: short stacking energy: -104.753
Base-Backbone interact. energy: -1.365
local terms energy: -115.538642
where:
bonds (distance) C4'-P energy: -17.671
bonds (distance) P-C4' energy: -18.776
flat angles C4'-P-C4' energy: -26.630
flat angles P-C4'-P energy: -18.007
tors. eta vs tors. theta energy: -34.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -382.123312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.123312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.123312 (E_RNA)
where:
Base-Base interactions energy: -268.977
where: short stacking energy: -101.465
Base-Backbone interact. energy: -0.097
local terms energy: -113.048548
where:
bonds (distance) C4'-P energy: -20.252
bonds (distance) P-C4' energy: -21.015
flat angles C4'-P-C4' energy: -23.766
flat angles P-C4'-P energy: -15.384
tors. eta vs tors. theta energy: -32.631
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: 10
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -382.593845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.593845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.593845 (E_RNA)
where:
Base-Base interactions energy: -271.728
where: short stacking energy: -110.052
Base-Backbone interact. energy: -0.003
local terms energy: -110.862826
where:
bonds (distance) C4'-P energy: -22.607
bonds (distance) P-C4' energy: -18.770
flat angles C4'-P-C4' energy: -22.494
flat angles P-C4'-P energy: -14.034
tors. eta vs tors. theta energy: -32.957
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: 5, replica: 4
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -332.248318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.248318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.248318 (E_RNA)
where:
Base-Base interactions energy: -226.627
where: short stacking energy: -89.300
Base-Backbone interact. energy: -1.031
local terms energy: -104.590880
where:
bonds (distance) C4'-P energy: -19.692
bonds (distance) P-C4' energy: -20.852
flat angles C4'-P-C4' energy: -18.387
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -31.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -284.013860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.013860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.013860 (E_RNA)
where:
Base-Base interactions energy: -182.773
where: short stacking energy: -79.169
Base-Backbone interact. energy: 0.558
local terms energy: -101.799008
where:
bonds (distance) C4'-P energy: -22.493
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -23.062
flat angles P-C4'-P energy: -14.432
tors. eta vs tors. theta energy: -23.463
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: 8
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -212.609629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.609629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.609629 (E_RNA)
where:
Base-Base interactions energy: -120.796
where: short stacking energy: -66.751
Base-Backbone interact. energy: -0.088
local terms energy: -91.725684
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -22.761
flat angles C4'-P-C4' energy: -19.337
flat angles P-C4'-P energy: -14.563
tors. eta vs tors. theta energy: -18.312
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: 7
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -120.073566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.073566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.073566 (E_RNA)
where:
Base-Base interactions energy: -49.306
where: short stacking energy: -44.287
Base-Backbone interact. energy: -0.604
local terms energy: -70.163976
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -15.162
tors. eta vs tors. theta energy: -8.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -111.405157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.405157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.405157 (E_RNA)
where:
Base-Base interactions energy: -46.501
where: short stacking energy: -35.394
Base-Backbone interact. energy: -0.164
local terms energy: -64.740183
where:
bonds (distance) C4'-P energy: -16.655
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -2.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -115.433198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.433198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.433198 (E_RNA)
where:
Base-Base interactions energy: -55.128
where: short stacking energy: -37.288
Base-Backbone interact. energy: -0.801
local terms energy: -59.504119
where:
bonds (distance) C4'-P energy: -7.259
bonds (distance) P-C4' energy: -22.728
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -2.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -368.662932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.662932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.662932 (E_RNA)
where:
Base-Base interactions energy: -256.328
where: short stacking energy: -114.180
Base-Backbone interact. energy: -0.638
local terms energy: -111.696120
where:
bonds (distance) C4'-P energy: -21.033
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -23.259
flat angles P-C4'-P energy: -14.147
tors. eta vs tors. theta energy: -33.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -382.991960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.991960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.991960 (E_RNA)
where:
Base-Base interactions energy: -269.056
where: short stacking energy: -104.755
Base-Backbone interact. energy: -0.000
local terms energy: -113.935977
where:
bonds (distance) C4'-P energy: -22.585
bonds (distance) P-C4' energy: -20.831
flat angles C4'-P-C4' energy: -24.118
flat angles P-C4'-P energy: -14.082
tors. eta vs tors. theta energy: -32.320
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: 10
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -381.157452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.157452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.157452 (E_RNA)
where:
Base-Base interactions energy: -275.674
where: short stacking energy: -113.220
Base-Backbone interact. energy: -0.122
local terms energy: -105.362126
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -22.405
flat angles C4'-P-C4' energy: -25.281
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -33.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -382.249173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.249173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.249173 (E_RNA)
where:
Base-Base interactions energy: -271.683
where: short stacking energy: -114.215
Base-Backbone interact. energy: -0.000
local terms energy: -110.565554
where:
bonds (distance) C4'-P energy: -22.188
bonds (distance) P-C4' energy: -19.976
flat angles C4'-P-C4' energy: -25.299
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -30.394
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: 3
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -308.475569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.475569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.475569 (E_RNA)
where:
Base-Base interactions energy: -208.166
where: short stacking energy: -94.017
Base-Backbone interact. energy: -0.056
local terms energy: -100.253600
where:
bonds (distance) C4'-P energy: -18.620
bonds (distance) P-C4' energy: -18.804
flat angles C4'-P-C4' energy: -20.860
flat angles P-C4'-P energy: -16.204
tors. eta vs tors. theta energy: -25.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -286.482896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.482896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.482896 (E_RNA)
where:
Base-Base interactions energy: -190.004
where: short stacking energy: -90.858
Base-Backbone interact. energy: -0.254
local terms energy: -96.224618
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -22.426
flat angles C4'-P-C4' energy: -18.386
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -26.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -234.808376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.808376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.808376 (E_RNA)
where:
Base-Base interactions energy: -136.386
where: short stacking energy: -67.213
Base-Backbone interact. energy: -0.177
local terms energy: -98.244914
where:
bonds (distance) C4'-P energy: -21.418
bonds (distance) P-C4' energy: -20.906
flat angles C4'-P-C4' energy: -20.435
flat angles P-C4'-P energy: -16.328
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: 7
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -115.345322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.345322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.345322 (E_RNA)
where:
Base-Base interactions energy: -40.190
where: short stacking energy: -30.141
Base-Backbone interact. energy: 0.063
local terms energy: -75.218437
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -22.975
flat angles C4'-P-C4' energy: -18.282
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -5.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -95.517046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.517046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.517046 (E_RNA)
where:
Base-Base interactions energy: -33.808
where: short stacking energy: -28.256
Base-Backbone interact. energy: -0.627
local terms energy: -61.082670
where:
bonds (distance) C4'-P energy: -19.658
bonds (distance) P-C4' energy: -18.106
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: 3.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -107.238097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.238097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.238097 (E_RNA)
where:
Base-Base interactions energy: -46.370
where: short stacking energy: -29.025
Base-Backbone interact. energy: -0.760
local terms energy: -60.108191
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -21.083
flat angles C4'-P-C4' energy: -8.652
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -8.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -380.496358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.496358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.496358 (E_RNA)
where:
Base-Base interactions energy: -264.098
where: short stacking energy: -110.261
Base-Backbone interact. energy: -0.205
local terms energy: -116.193209
where:
bonds (distance) C4'-P energy: -19.818
bonds (distance) P-C4' energy: -19.658
flat angles C4'-P-C4' energy: -23.766
flat angles P-C4'-P energy: -18.265
tors. eta vs tors. theta energy: -34.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -393.584670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.584670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.584670 (E_RNA)
where:
Base-Base interactions energy: -281.258
where: short stacking energy: -114.446
Base-Backbone interact. energy: -0.162
local terms energy: -112.164150
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -21.614
flat angles C4'-P-C4' energy: -23.281
flat angles P-C4'-P energy: -15.024
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: 3, replica: 10
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -383.556353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.556353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.556353 (E_RNA)
where:
Base-Base interactions energy: -266.255
where: short stacking energy: -108.289
Base-Backbone interact. energy: -0.042
local terms energy: -117.259231
where:
bonds (distance) C4'-P energy: -22.962
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -20.573
flat angles P-C4'-P energy: -20.012
tors. eta vs tors. theta energy: -33.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -381.075667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.075667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.075667 (E_RNA)
where:
Base-Base interactions energy: -274.401
where: short stacking energy: -110.781
Base-Backbone interact. energy: -0.001
local terms energy: -106.674584
where:
bonds (distance) C4'-P energy: -22.729
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -21.756
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -31.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -306.221293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.221293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.221293 (E_RNA)
where:
Base-Base interactions energy: -212.559
where: short stacking energy: -102.044
Base-Backbone interact. energy: -0.792
local terms energy: -92.870164
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -23.328
flat angles C4'-P-C4' energy: -19.647
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -24.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -282.280674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.280674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.280674 (E_RNA)
where:
Base-Base interactions energy: -191.827
where: short stacking energy: -93.269
Base-Backbone interact. energy: -0.146
local terms energy: -90.307241
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -18.255
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -27.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -235.636965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.636965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.636965 (E_RNA)
where:
Base-Base interactions energy: -141.678
where: short stacking energy: -72.046
Base-Backbone interact. energy: -0.474
local terms energy: -93.484522
where:
bonds (distance) C4'-P energy: -22.241
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -20.617
flat angles P-C4'-P energy: -16.009
tors. eta vs tors. theta energy: -16.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -109.297175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.297175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.297175 (E_RNA)
where:
Base-Base interactions energy: -38.808
where: short stacking energy: -36.609
Base-Backbone interact. energy: -0.122
local terms energy: -70.366824
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -22.098
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -2.652
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: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -123.440662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.440662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.440662 (E_RNA)
where:
Base-Base interactions energy: -63.356
where: short stacking energy: -29.171
Base-Backbone interact. energy: -0.318
local terms energy: -59.766449
where:
bonds (distance) C4'-P energy: -9.639
bonds (distance) P-C4' energy: -19.837
flat angles C4'-P-C4' energy: -19.675
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: 1.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -95.825375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.825375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.825375 (E_RNA)
where:
Base-Base interactions energy: -24.148
where: short stacking energy: -23.674
Base-Backbone interact. energy: 2.943
local terms energy: -74.620361
where:
bonds (distance) C4'-P energy: -21.011
bonds (distance) P-C4' energy: -21.149
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -15.818
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: 5
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -392.428242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.428242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.428242 (E_RNA)
where:
Base-Base interactions energy: -275.660
where: short stacking energy: -113.526
Base-Backbone interact. energy: -0.289
local terms energy: -116.478648
where:
bonds (distance) C4'-P energy: -25.421
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -24.057
flat angles P-C4'-P energy: -15.193
tors. eta vs tors. theta energy: -34.176
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: 2, replica: 2
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -376.059346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.059346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.059346 (E_RNA)
where:
Base-Base interactions energy: -257.114
where: short stacking energy: -116.732
Base-Backbone interact. energy: -0.008
local terms energy: -118.937305
where:
bonds (distance) C4'-P energy: -22.205
bonds (distance) P-C4' energy: -21.231
flat angles C4'-P-C4' energy: -25.228
flat angles P-C4'-P energy: -18.711
tors. eta vs tors. theta energy: -31.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -389.855391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.855391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.855391 (E_RNA)
where:
Base-Base interactions energy: -273.729
where: short stacking energy: -114.911
Base-Backbone interact. energy: -0.295
local terms energy: -115.832114
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -26.178
flat angles C4'-P-C4' energy: -26.740
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: -32.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -375.019459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.019459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.019459 (E_RNA)
where:
Base-Base interactions energy: -260.564
where: short stacking energy: -103.133
Base-Backbone interact. energy: -0.040
local terms energy: -114.415481
where:
bonds (distance) C4'-P energy: -25.115
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -21.803
flat angles P-C4'-P energy: -17.993
tors. eta vs tors. theta energy: -30.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -332.230909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.230909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.230909 (E_RNA)
where:
Base-Base interactions energy: -226.736
where: short stacking energy: -98.253
Base-Backbone interact. energy: -0.122
local terms energy: -105.372788
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -19.010
flat angles P-C4'-P energy: -16.609
tors. eta vs tors. theta energy: -31.377
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: 6, replica: 4
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -286.869981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.869981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.869981 (E_RNA)
where:
Base-Base interactions energy: -192.354
where: short stacking energy: -80.617
Base-Backbone interact. energy: -0.749
local terms energy: -93.766789
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -18.949
flat angles C4'-P-C4' energy: -23.948
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -21.791
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: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -237.156966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.156966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.156966 (E_RNA)
where:
Base-Base interactions energy: -158.761
where: short stacking energy: -67.073
Base-Backbone interact. energy: -0.088
local terms energy: -78.308669
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -20.332
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -16.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -115.662220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.662220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.662220 (E_RNA)
where:
Base-Base interactions energy: -49.834
where: short stacking energy: -41.775
Base-Backbone interact. energy: -0.136
local terms energy: -65.692248
where:
bonds (distance) C4'-P energy: -21.261
bonds (distance) P-C4' energy: -19.743
flat angles C4'-P-C4' energy: -8.347
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -3.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -119.408333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.408333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.408333 (E_RNA)
where:
Base-Base interactions energy: -50.057
where: short stacking energy: -44.198
Base-Backbone interact. energy: 0.870
local terms energy: -70.220451
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -18.144
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -14.727
tors. eta vs tors. theta energy: -2.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -94.005791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.005791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.005791 (E_RNA)
where:
Base-Base interactions energy: -27.123
where: short stacking energy: -21.726
Base-Backbone interact. energy: -0.776
local terms energy: -66.106671
where:
bonds (distance) C4'-P energy: -19.347
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -0.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -393.472307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.472307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.472307 (E_RNA)
where:
Base-Base interactions energy: -275.952
where: short stacking energy: -108.803
Base-Backbone interact. energy: -0.003
local terms energy: -117.517379
where:
bonds (distance) C4'-P energy: -20.072
bonds (distance) P-C4' energy: -24.065
flat angles C4'-P-C4' energy: -23.006
flat angles P-C4'-P energy: -15.041
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: 2, replica: 9
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -391.817406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.817406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.817406 (E_RNA)
where:
Base-Base interactions energy: -274.890
where: short stacking energy: -110.154
Base-Backbone interact. energy: -0.122
local terms energy: -116.805886
where:
bonds (distance) C4'-P energy: -22.783
bonds (distance) P-C4' energy: -22.607
flat angles C4'-P-C4' energy: -23.942
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -35.073
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: 2
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -363.956974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.956974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.956974 (E_RNA)
where:
Base-Base interactions energy: -251.405
where: short stacking energy: -106.304
Base-Backbone interact. energy: 0.483
local terms energy: -113.034859
where:
bonds (distance) C4'-P energy: -18.454
bonds (distance) P-C4' energy: -20.935
flat angles C4'-P-C4' energy: -22.916
flat angles P-C4'-P energy: -18.625
tors. eta vs tors. theta energy: -32.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -382.522226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.522226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.522226 (E_RNA)
where:
Base-Base interactions energy: -272.993
where: short stacking energy: -106.620
Base-Backbone interact. energy: -0.101
local terms energy: -109.428051
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -21.691
flat angles C4'-P-C4' energy: -22.195
flat angles P-C4'-P energy: -15.485
tors. eta vs tors. theta energy: -32.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -324.739176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.739176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.739176 (E_RNA)
where:
Base-Base interactions energy: -224.294
where: short stacking energy: -95.441
Base-Backbone interact. energy: -0.042
local terms energy: -100.402602
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -22.113
flat angles C4'-P-C4' energy: -20.088
flat angles P-C4'-P energy: -16.616
tors. eta vs tors. theta energy: -28.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -297.201055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.201055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.201055 (E_RNA)
where:
Base-Base interactions energy: -201.751
where: short stacking energy: -92.471
Base-Backbone interact. energy: -0.486
local terms energy: -94.964683
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -21.648
flat angles P-C4'-P energy: -14.192
tors. eta vs tors. theta energy: -27.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -214.508396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.508396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.508396 (E_RNA)
where:
Base-Base interactions energy: -140.851
where: short stacking energy: -80.740
Base-Backbone interact. energy: -0.083
local terms energy: -73.573856
where:
bonds (distance) C4'-P energy: -18.459
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -8.657
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -17.760
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: 7
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -105.729211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.729211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.729211 (E_RNA)
where:
Base-Base interactions energy: -34.326
where: short stacking energy: -33.871
Base-Backbone interact. energy: 0.437
local terms energy: -71.840494
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -21.942
flat angles C4'-P-C4' energy: -19.631
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -2.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -100.001426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.001426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.001426 (E_RNA)
where:
Base-Base interactions energy: -35.548
where: short stacking energy: -30.419
Base-Backbone interact. energy: 0.359
local terms energy: -64.812760
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -19.097
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: 0.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -100.358732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.358732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.358732 (E_RNA)
where:
Base-Base interactions energy: -41.137
where: short stacking energy: -26.214
Base-Backbone interact. energy: 0.166
local terms energy: -59.387921
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -17.363
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -5.281
tors. eta vs tors. theta energy: -2.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -387.662628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.662628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.662628 (E_RNA)
where:
Base-Base interactions energy: -268.899
where: short stacking energy: -105.597
Base-Backbone interact. energy: -0.975
local terms energy: -117.788048
where:
bonds (distance) C4'-P energy: -23.859
bonds (distance) P-C4' energy: -22.038
flat angles C4'-P-C4' energy: -19.486
flat angles P-C4'-P energy: -16.590
tors. eta vs tors. theta energy: -35.815
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: 5
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -386.203621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.203621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.203621 (E_RNA)
where:
Base-Base interactions energy: -278.506
where: short stacking energy: -117.355
Base-Backbone interact. energy: -0.006
local terms energy: -107.692236
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -24.026
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -33.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -383.746755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.746755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.746755 (E_RNA)
where:
Base-Base interactions energy: -269.279
where: short stacking energy: -107.774
Base-Backbone interact. energy: -0.017
local terms energy: -114.450493
where:
bonds (distance) C4'-P energy: -21.885
bonds (distance) P-C4' energy: -22.175
flat angles C4'-P-C4' energy: -22.412
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -33.520
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: 2
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -362.976380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.976380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.976380 (E_RNA)
where:
Base-Base interactions energy: -254.542
where: short stacking energy: -109.164
Base-Backbone interact. energy: 0.007
local terms energy: -108.442197
where:
bonds (distance) C4'-P energy: -23.938
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -19.329
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -30.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -311.174815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.174815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.174815 (E_RNA)
where:
Base-Base interactions energy: -210.188
where: short stacking energy: -86.609
Base-Backbone interact. energy: -0.075
local terms energy: -100.911075
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -23.830
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -32.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -250.123072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.123072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.123072 (E_RNA)
where:
Base-Base interactions energy: -162.326
where: short stacking energy: -77.092
Base-Backbone interact. energy: -0.261
local terms energy: -87.536221
where:
bonds (distance) C4'-P energy: -18.441
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -20.799
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -20.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -202.044963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.044963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.044963 (E_RNA)
where:
Base-Base interactions energy: -117.848
where: short stacking energy: -45.819
Base-Backbone interact. energy: 1.042
local terms energy: -85.238608
where:
bonds (distance) C4'-P energy: -19.032
bonds (distance) P-C4' energy: -21.003
flat angles C4'-P-C4' energy: -20.101
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -10.827
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: 7
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -109.752658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.752658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.752658 (E_RNA)
where:
Base-Base interactions energy: -41.167
where: short stacking energy: -41.671
Base-Backbone interact. energy: -0.303
local terms energy: -68.282741
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -21.861
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -2.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -110.994601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.994601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.994601 (E_RNA)
where:
Base-Base interactions energy: -37.705
where: short stacking energy: -29.152
Base-Backbone interact. energy: 1.138
local terms energy: -74.428033
where:
bonds (distance) C4'-P energy: -18.710
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -22.855
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -2.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -99.098933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.098933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.098933 (E_RNA)
where:
Base-Base interactions energy: -36.787
where: short stacking energy: -32.560
Base-Backbone interact. energy: -0.472
local terms energy: -61.839304
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -20.998
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -0.281
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: 9
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -390.485547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.485547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.485547 (E_RNA)
where:
Base-Base interactions energy: -272.246
where: short stacking energy: -107.513
Base-Backbone interact. energy: -0.865
local terms energy: -117.374809
where:
bonds (distance) C4'-P energy: -22.675
bonds (distance) P-C4' energy: -22.451
flat angles C4'-P-C4' energy: -20.670
flat angles P-C4'-P energy: -17.141
tors. eta vs tors. theta energy: -34.437
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: 10
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -387.041290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.041290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.041290 (E_RNA)
where:
Base-Base interactions energy: -275.142
where: short stacking energy: -114.721
Base-Backbone interact. energy: -0.289
local terms energy: -111.610408
where:
bonds (distance) C4'-P energy: -17.513
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -23.307
flat angles P-C4'-P energy: -18.893
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: 5
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -382.575108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.575108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.575108 (E_RNA)
where:
Base-Base interactions energy: -275.065
where: short stacking energy: -111.803
Base-Backbone interact. energy: -0.059
local terms energy: -107.451158
where:
bonds (distance) C4'-P energy: -16.104
bonds (distance) P-C4' energy: -23.434
flat angles C4'-P-C4' energy: -21.684
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -32.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -364.131576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.131576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.131576 (E_RNA)
where:
Base-Base interactions energy: -250.971
where: short stacking energy: -112.133
Base-Backbone interact. energy: -0.281
local terms energy: -112.879291
where:
bonds (distance) C4'-P energy: -18.756
bonds (distance) P-C4' energy: -23.550
flat angles C4'-P-C4' energy: -24.453
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: -32.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -301.728374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.728374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.728374 (E_RNA)
where:
Base-Base interactions energy: -210.581
where: short stacking energy: -88.750
Base-Backbone interact. energy: 0.197
local terms energy: -91.344438
where:
bonds (distance) C4'-P energy: -20.813
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -20.175
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -22.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -249.969957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.969957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.969957 (E_RNA)
where:
Base-Base interactions energy: -159.944
where: short stacking energy: -65.380
Base-Backbone interact. energy: -0.773
local terms energy: -89.253305
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -24.335
flat angles C4'-P-C4' energy: -20.689
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: -16.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -227.550153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.550153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.550153 (E_RNA)
where:
Base-Base interactions energy: -152.712
where: short stacking energy: -75.226
Base-Backbone interact. energy: -0.794
local terms energy: -74.044800
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -17.509
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -13.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -118.753819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.753819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.753819 (E_RNA)
where:
Base-Base interactions energy: -50.921
where: short stacking energy: -37.515
Base-Backbone interact. energy: -0.601
local terms energy: -67.231027
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -15.996
tors. eta vs tors. theta energy: -1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -103.541582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.541582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.541582 (E_RNA)
where:
Base-Base interactions energy: -41.030
where: short stacking energy: -40.487
Base-Backbone interact. energy: 0.460
local terms energy: -62.971836
where:
bonds (distance) C4'-P energy: -18.310
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -1.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -112.427464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.427464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.427464 (E_RNA)
where:
Base-Base interactions energy: -42.231
where: short stacking energy: -31.132
Base-Backbone interact. energy: -0.344
local terms energy: -69.852352
where:
bonds (distance) C4'-P energy: -18.855
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -18.352
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -0.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -399.054426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.054426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.054426 (E_RNA)
where:
Base-Base interactions energy: -272.008
where: short stacking energy: -105.643
Base-Backbone interact. energy: -0.062
local terms energy: -126.984303
where:
bonds (distance) C4'-P energy: -25.296
bonds (distance) P-C4' energy: -25.069
flat angles C4'-P-C4' energy: -22.302
flat angles P-C4'-P energy: -19.570
tors. eta vs tors. theta energy: -34.748
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: 364
Temperature: 0.950000
Total energy: -388.815583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.815583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.815583 (E_RNA)
where:
Base-Base interactions energy: -272.125
where: short stacking energy: -109.516
Base-Backbone interact. energy: -0.001
local terms energy: -116.690043
where:
bonds (distance) C4'-P energy: -22.668
bonds (distance) P-C4' energy: -22.886
flat angles C4'-P-C4' energy: -23.408
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -34.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -385.096685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.096685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.096685 (E_RNA)
where:
Base-Base interactions energy: -274.774
where: short stacking energy: -113.997
Base-Backbone interact. energy: 1.055
local terms energy: -111.377647
where:
bonds (distance) C4'-P energy: -18.553
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -25.968
flat angles P-C4'-P energy: -16.573
tors. eta vs tors. theta energy: -32.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -357.189679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.189679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.189679 (E_RNA)
where:
Base-Base interactions energy: -240.307
where: short stacking energy: -108.921
Base-Backbone interact. energy: -0.021
local terms energy: -116.861166
where:
bonds (distance) C4'-P energy: -18.947
bonds (distance) P-C4' energy: -24.849
flat angles C4'-P-C4' energy: -25.316
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -34.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -292.849750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.849750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.849750 (E_RNA)
where:
Base-Base interactions energy: -193.305
where: short stacking energy: -74.666
Base-Backbone interact. energy: 0.633
local terms energy: -100.177613
where:
bonds (distance) C4'-P energy: -24.495
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -19.481
flat angles P-C4'-P energy: -15.957
tors. eta vs tors. theta energy: -21.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -249.651395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.651395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.651395 (E_RNA)
where:
Base-Base interactions energy: -170.023
where: short stacking energy: -70.481
Base-Backbone interact. energy: -0.073
local terms energy: -79.554779
where:
bonds (distance) C4'-P energy: -20.027
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -3.795
tors. eta vs tors. theta energy: -25.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -216.975221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.975221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.975221 (E_RNA)
where:
Base-Base interactions energy: -148.938
where: short stacking energy: -53.646
Base-Backbone interact. energy: 0.028
local terms energy: -68.065284
where:
bonds (distance) C4'-P energy: -21.339
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -7.100
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: 6
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -117.702629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.702629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.702629 (E_RNA)
where:
Base-Base interactions energy: -56.087
where: short stacking energy: -28.441
Base-Backbone interact. energy: 0.865
local terms energy: -62.480205
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -16.313
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -14.898
tors. eta vs tors. theta energy: -0.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -115.585121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.585121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.585121 (E_RNA)
where:
Base-Base interactions energy: -53.502
where: short stacking energy: -38.191
Base-Backbone interact. energy: -0.504
local terms energy: -61.578513
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -21.678
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -0.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -112.276847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.276847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.276847 (E_RNA)
where:
Base-Base interactions energy: -63.996
where: short stacking energy: -24.420
Base-Backbone interact. energy: -0.376
local terms energy: -47.904097
where:
bonds (distance) C4'-P energy: -19.025
bonds (distance) P-C4' energy: -11.288
flat angles C4'-P-C4' energy: -20.034
flat angles P-C4'-P energy: -2.978
tors. eta vs tors. theta energy: 5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -394.344348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.344348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.344348 (E_RNA)
where:
Base-Base interactions energy: -279.617
where: short stacking energy: -117.309
Base-Backbone interact. energy: -0.004
local terms energy: -114.723398
where:
bonds (distance) C4'-P energy: -20.905
bonds (distance) P-C4' energy: -24.132
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -15.198
tors. eta vs tors. theta energy: -35.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -387.267028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.267028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.267028 (E_RNA)
where:
Base-Base interactions energy: -274.732
where: short stacking energy: -108.643
Base-Backbone interact. energy: -0.218
local terms energy: -112.316503
where:
bonds (distance) C4'-P energy: -19.224
bonds (distance) P-C4' energy: -22.186
flat angles C4'-P-C4' energy: -24.049
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -33.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -390.304442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.304442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.304442 (E_RNA)
where:
Base-Base interactions energy: -273.950
where: short stacking energy: -113.304
Base-Backbone interact. energy: -0.032
local terms energy: -116.323050
where:
bonds (distance) C4'-P energy: -20.527
bonds (distance) P-C4' energy: -23.207
flat angles C4'-P-C4' energy: -25.074
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -35.018
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: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -358.423074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.423074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.423074 (E_RNA)
where:
Base-Base interactions energy: -247.931
where: short stacking energy: -108.455
Base-Backbone interact. energy: -0.104
local terms energy: -110.387955
where:
bonds (distance) C4'-P energy: -19.789
bonds (distance) P-C4' energy: -21.620
flat angles C4'-P-C4' energy: -20.652
flat angles P-C4'-P energy: -15.582
tors. eta vs tors. theta energy: -32.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -281.699649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.699649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.699649 (E_RNA)
where:
Base-Base interactions energy: -192.831
where: short stacking energy: -76.153
Base-Backbone interact. energy: -0.029
local terms energy: -88.839429
where:
bonds (distance) C4'-P energy: -19.854
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -22.439
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -19.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -361.903250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.903250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.903250 (E_RNA)
where:
Base-Base interactions energy: -254.974
where: short stacking energy: -117.252
Base-Backbone interact. energy: 0.160
local terms energy: -107.088889
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -13.407
flat angles C4'-P-C4' energy: -24.213
flat angles P-C4'-P energy: -15.955
tors. eta vs tors. theta energy: -35.617
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: 4
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -227.847934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.847934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.847934 (E_RNA)
where:
Base-Base interactions energy: -140.401
where: short stacking energy: -65.396
Base-Backbone interact. energy: -0.238
local terms energy: -87.209179
where:
bonds (distance) C4'-P energy: -22.005
bonds (distance) P-C4' energy: -19.642
flat angles C4'-P-C4' energy: -19.544
flat angles P-C4'-P energy: -16.967
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: 8, replica: 1
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -110.134990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.134990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.134990 (E_RNA)
where:
Base-Base interactions energy: -36.630
where: short stacking energy: -36.630
Base-Backbone interact. energy: -0.340
local terms energy: -73.165007
where:
bonds (distance) C4'-P energy: -21.996
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -6.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -107.453939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.453939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.453939 (E_RNA)
where:
Base-Base interactions energy: -37.321
where: short stacking energy: -30.706
Base-Backbone interact. energy: -0.085
local terms energy: -70.047466
where:
bonds (distance) C4'-P energy: -21.471
bonds (distance) P-C4' energy: -19.303
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -0.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -114.175926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.175926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.175926 (E_RNA)
where:
Base-Base interactions energy: -41.739
where: short stacking energy: -35.186
Base-Backbone interact. energy: -0.192
local terms energy: -72.244617
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -19.110
flat angles C4'-P-C4' energy: -20.108
flat angles P-C4'-P energy: -13.908
tors. eta vs tors. theta energy: -8.243
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: 9
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -390.613421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.613421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.613421 (E_RNA)
where:
Base-Base interactions energy: -275.647
where: short stacking energy: -111.966
Base-Backbone interact. energy: -0.124
local terms energy: -114.841968
where:
bonds (distance) C4'-P energy: -20.659
bonds (distance) P-C4' energy: -21.623
flat angles C4'-P-C4' energy: -25.981
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -33.894
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: 10
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -388.050137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.050137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.050137 (E_RNA)
where:
Base-Base interactions energy: -276.516
where: short stacking energy: -115.067
Base-Backbone interact. energy: -0.283
local terms energy: -111.251145
where:
bonds (distance) C4'-P energy: -18.283
bonds (distance) P-C4' energy: -18.592
flat angles C4'-P-C4' energy: -24.567
flat angles P-C4'-P energy: -17.213
tors. eta vs tors. theta energy: -32.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -361.916852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.916852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.916852 (E_RNA)
where:
Base-Base interactions energy: -252.803
where: short stacking energy: -104.995
Base-Backbone interact. energy: -1.741
local terms energy: -107.372845
where:
bonds (distance) C4'-P energy: -19.310
bonds (distance) P-C4' energy: -18.863
flat angles C4'-P-C4' energy: -21.664
flat angles P-C4'-P energy: -19.938
tors. eta vs tors. theta energy: -27.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -380.412129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.412129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.412129 (E_RNA)
where:
Base-Base interactions energy: -266.415
where: short stacking energy: -104.140
Base-Backbone interact. energy: -0.007
local terms energy: -113.990314
where:
bonds (distance) C4'-P energy: -21.156
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -26.376
flat angles P-C4'-P energy: -13.287
tors. eta vs tors. theta energy: -32.170
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: 8
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -361.767910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.767910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.767910 (E_RNA)
where:
Base-Base interactions energy: -251.283
where: short stacking energy: -113.396
Base-Backbone interact. energy: -0.275
local terms energy: -110.209771
where:
bonds (distance) C4'-P energy: -18.315
bonds (distance) P-C4' energy: -19.596
flat angles C4'-P-C4' energy: -21.929
flat angles P-C4'-P energy: -16.852
tors. eta vs tors. theta energy: -33.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -285.445567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.445567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.445567 (E_RNA)
where:
Base-Base interactions energy: -192.945
where: short stacking energy: -82.719
Base-Backbone interact. energy: -0.053
local terms energy: -92.447702
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -19.332
flat angles C4'-P-C4' energy: -22.361
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -20.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -195.174751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.174751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.174751 (E_RNA)
where:
Base-Base interactions energy: -114.609
where: short stacking energy: -55.657
Base-Backbone interact. energy: 0.357
local terms energy: -80.923006
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -22.596
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -15.445
tors. eta vs tors. theta energy: -13.827
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: 1
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -119.490231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.490231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.490231 (E_RNA)
where:
Base-Base interactions energy: -40.795
where: short stacking energy: -36.171
Base-Backbone interact. energy: -0.093
local terms energy: -78.602183
where:
bonds (distance) C4'-P energy: -24.838
bonds (distance) P-C4' energy: -22.200
flat angles C4'-P-C4' energy: -19.045
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -1.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -159.880580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.880580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.880580 (E_RNA)
where:
Base-Base interactions energy: -92.029
where: short stacking energy: -58.186
Base-Backbone interact. energy: -0.139
local terms energy: -67.712520
where:
bonds (distance) C4'-P energy: -18.532
bonds (distance) P-C4' energy: -21.779
flat angles C4'-P-C4' energy: -19.561
flat angles P-C4'-P energy: -0.177
tors. eta vs tors. theta energy: -7.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -112.865665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.865665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.865665 (E_RNA)
where:
Base-Base interactions energy: -41.430
where: short stacking energy: -27.430
Base-Backbone interact. energy: 0.561
local terms energy: -71.996070
where:
bonds (distance) C4'-P energy: -20.350
bonds (distance) P-C4' energy: -21.102
flat angles C4'-P-C4' energy: -23.276
flat angles P-C4'-P energy: -4.267
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -393.246115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.246115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.246115 (E_RNA)
where:
Base-Base interactions energy: -276.475
where: short stacking energy: -114.032
Base-Backbone interact. energy: -0.115
local terms energy: -116.655469
where:
bonds (distance) C4'-P energy: -20.747
bonds (distance) P-C4' energy: -22.017
flat angles C4'-P-C4' energy: -24.087
flat angles P-C4'-P energy: -16.153
tors. eta vs tors. theta energy: -33.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -385.122958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.122958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.122958 (E_RNA)
where:
Base-Base interactions energy: -273.911
where: short stacking energy: -113.649
Base-Backbone interact. energy: -0.034
local terms energy: -111.177791
where:
bonds (distance) C4'-P energy: -23.512
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -19.857
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -34.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -366.755283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.755283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.755283 (E_RNA)
where:
Base-Base interactions energy: -257.564
where: short stacking energy: -109.370
Base-Backbone interact. energy: 0.376
local terms energy: -109.566887
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -24.453
flat angles P-C4'-P energy: -16.691
tors. eta vs tors. theta energy: -34.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -365.852165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.852165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.852165 (E_RNA)
where:
Base-Base interactions energy: -255.399
where: short stacking energy: -110.766
Base-Backbone interact. energy: -0.001
local terms energy: -110.451793
where:
bonds (distance) C4'-P energy: -18.754
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -25.182
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -32.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -368.298447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.298447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.298447 (E_RNA)
where:
Base-Base interactions energy: -262.219
where: short stacking energy: -110.144
Base-Backbone interact. energy: -0.024
local terms energy: -106.055646
where:
bonds (distance) C4'-P energy: -24.337
bonds (distance) P-C4' energy: -17.388
flat angles C4'-P-C4' energy: -18.652
flat angles P-C4'-P energy: -14.888
tors. eta vs tors. theta energy: -30.791
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: 3
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -239.817183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.817183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.817183 (E_RNA)
where:
Base-Base interactions energy: -148.843
where: short stacking energy: -65.787
Base-Backbone interact. energy: -0.686
local terms energy: -90.288222
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -20.359
flat angles P-C4'-P energy: -18.157
tors. eta vs tors. theta energy: -17.356
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: 367
Temperature: 1.200000
Total energy: -181.104556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.104556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.104556 (E_RNA)
where:
Base-Base interactions energy: -107.614
where: short stacking energy: -46.550
Base-Backbone interact. energy: -0.776
local terms energy: -72.714142
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -22.023
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -6.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -138.593879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.593879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.593879 (E_RNA)
where:
Base-Base interactions energy: -70.537
where: short stacking energy: -40.425
Base-Backbone interact. energy: -0.421
local terms energy: -67.636094
where:
bonds (distance) C4'-P energy: -21.617
bonds (distance) P-C4' energy: -25.148
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: 0.052
tors. eta vs tors. theta energy: -5.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -111.407410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.407410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.407410 (E_RNA)
where:
Base-Base interactions energy: -32.439
where: short stacking energy: -27.977
Base-Backbone interact. energy: -0.082
local terms energy: -78.886965
where:
bonds (distance) C4'-P energy: -19.314
bonds (distance) P-C4' energy: -18.466
flat angles C4'-P-C4' energy: -19.509
flat angles P-C4'-P energy: -13.987
tors. eta vs tors. theta energy: -7.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -138.898638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.898638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.898638 (E_RNA)
where:
Base-Base interactions energy: -80.337
where: short stacking energy: -34.722
Base-Backbone interact. energy: -0.640
local terms energy: -57.921789
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -5.085
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: 10
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -390.273804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.273804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.273804 (E_RNA)
where:
Base-Base interactions energy: -275.771
where: short stacking energy: -109.790
Base-Backbone interact. energy: -0.233
local terms energy: -114.269784
where:
bonds (distance) C4'-P energy: -18.312
bonds (distance) P-C4' energy: -22.713
flat angles C4'-P-C4' energy: -24.993
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -36.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -393.466524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.466524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.466524 (E_RNA)
where:
Base-Base interactions energy: -282.224
where: short stacking energy: -117.830
Base-Backbone interact. energy: -0.001
local terms energy: -111.241508
where:
bonds (distance) C4'-P energy: -18.381
bonds (distance) P-C4' energy: -21.364
flat angles C4'-P-C4' energy: -24.282
flat angles P-C4'-P energy: -15.558
tors. eta vs tors. theta energy: -31.658
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: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -368.471142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.471142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.471142 (E_RNA)
where:
Base-Base interactions energy: -254.925
where: short stacking energy: -100.519
Base-Backbone interact. energy: -0.470
local terms energy: -113.075779
where:
bonds (distance) C4'-P energy: -20.871
bonds (distance) P-C4' energy: -25.629
flat angles C4'-P-C4' energy: -22.898
flat angles P-C4'-P energy: -11.800
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: 4, replica: 8
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -358.137663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.137663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.137663 (E_RNA)
where:
Base-Base interactions energy: -239.118
where: short stacking energy: -106.833
Base-Backbone interact. energy: -0.004
local terms energy: -119.016184
where:
bonds (distance) C4'-P energy: -20.982
bonds (distance) P-C4' energy: -22.338
flat angles C4'-P-C4' energy: -24.757
flat angles P-C4'-P energy: -18.653
tors. eta vs tors. theta energy: -32.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -368.229162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.229162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.229162 (E_RNA)
where:
Base-Base interactions energy: -253.716
where: short stacking energy: -100.968
Base-Backbone interact. energy: -0.019
local terms energy: -114.493864
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -23.283
flat angles C4'-P-C4' energy: -23.242
flat angles P-C4'-P energy: -16.895
tors. eta vs tors. theta energy: -32.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -300.609781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.609781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.609781 (E_RNA)
where:
Base-Base interactions energy: -192.380
where: short stacking energy: -91.613
Base-Backbone interact. energy: -0.223
local terms energy: -108.006861
where:
bonds (distance) C4'-P energy: -23.181
bonds (distance) P-C4' energy: -18.078
flat angles C4'-P-C4' energy: -22.000
flat angles P-C4'-P energy: -16.821
tors. eta vs tors. theta energy: -27.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -125.918030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.918030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.918030 (E_RNA)
where:
Base-Base interactions energy: -43.444
where: short stacking energy: -38.422
Base-Backbone interact. energy: -0.175
local terms energy: -82.298752
where:
bonds (distance) C4'-P energy: -19.434
bonds (distance) P-C4' energy: -20.970
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -17.089
tors. eta vs tors. theta energy: -7.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -165.670656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.670656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.670656 (E_RNA)
where:
Base-Base interactions energy: -91.192
where: short stacking energy: -53.399
Base-Backbone interact. energy: -0.253
local terms energy: -74.225639
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -24.560
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -13.407
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: 9, replica: 6
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -200.067107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.067107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.067107 (E_RNA)
where:
Base-Base interactions energy: -123.978
where: short stacking energy: -58.537
Base-Backbone interact. energy: -0.594
local terms energy: -75.495003
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -18.137
tors. eta vs tors. theta energy: -8.949
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: 1
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -103.863891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.863891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.863891 (E_RNA)
where:
Base-Base interactions energy: -42.188
where: short stacking energy: -38.975
Base-Backbone interact. energy: -0.089
local terms energy: -61.586280
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -21.422
flat angles C4'-P-C4' energy: -10.849
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -8.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -392.387279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.387279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.387279 (E_RNA)
where:
Base-Base interactions energy: -273.186
where: short stacking energy: -112.703
Base-Backbone interact. energy: -0.197
local terms energy: -119.003618
where:
bonds (distance) C4'-P energy: -21.346
bonds (distance) P-C4' energy: -22.127
flat angles C4'-P-C4' energy: -22.531
flat angles P-C4'-P energy: -18.646
tors. eta vs tors. theta energy: -34.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -389.635863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.635863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.635863 (E_RNA)
where:
Base-Base interactions energy: -271.261
where: short stacking energy: -110.618
Base-Backbone interact. energy: -0.098
local terms energy: -118.277433
where:
bonds (distance) C4'-P energy: -22.093
bonds (distance) P-C4' energy: -22.689
flat angles C4'-P-C4' energy: -22.936
flat angles P-C4'-P energy: -14.969
tors. eta vs tors. theta energy: -35.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -362.067270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.067270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.067270 (E_RNA)
where:
Base-Base interactions energy: -252.232
where: short stacking energy: -107.160
Base-Backbone interact. energy: -0.441
local terms energy: -109.394024
where:
bonds (distance) C4'-P energy: -21.073
bonds (distance) P-C4' energy: -18.804
flat angles C4'-P-C4' energy: -22.411
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -33.129
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: 4, replica: 5
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -371.446775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.446775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.446775 (E_RNA)
where:
Base-Base interactions energy: -263.576
where: short stacking energy: -104.625
Base-Backbone interact. energy: -0.007
local terms energy: -107.863286
where:
bonds (distance) C4'-P energy: -21.173
bonds (distance) P-C4' energy: -19.005
flat angles C4'-P-C4' energy: -22.779
flat angles P-C4'-P energy: -15.036
tors. eta vs tors. theta energy: -29.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -355.875874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.875874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.875874 (E_RNA)
where:
Base-Base interactions energy: -241.803
where: short stacking energy: -106.874
Base-Backbone interact. energy: -0.515
local terms energy: -113.558136
where:
bonds (distance) C4'-P energy: -22.661
bonds (distance) P-C4' energy: -21.714
flat angles C4'-P-C4' energy: -20.305
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -34.043
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: 3
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -300.688904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.688904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.688904 (E_RNA)
where:
Base-Base interactions energy: -196.963
where: short stacking energy: -84.033
Base-Backbone interact. energy: -0.003
local terms energy: -103.722792
where:
bonds (distance) C4'-P energy: -20.370
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -24.082
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -26.672
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: 7, replica: 7
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -130.503560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.503560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.503560 (E_RNA)
where:
Base-Base interactions energy: -63.441
where: short stacking energy: -26.217
Base-Backbone interact. energy: -1.271
local terms energy: -65.792243
where:
bonds (distance) C4'-P energy: -24.505
bonds (distance) P-C4' energy: -16.285
flat angles C4'-P-C4' energy: -18.753
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: 2.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -237.234976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.234976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.234976 (E_RNA)
where:
Base-Base interactions energy: -144.251
where: short stacking energy: -62.658
Base-Backbone interact. energy: -0.179
local terms energy: -92.805090
where:
bonds (distance) C4'-P energy: -18.592
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -18.080
tors. eta vs tors. theta energy: -18.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -209.651799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.651799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.651799 (E_RNA)
where:
Base-Base interactions energy: -127.302
where: short stacking energy: -55.087
Base-Backbone interact. energy: -0.414
local terms energy: -81.935569
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -21.253
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -16.187
tors. eta vs tors. theta energy: -10.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -97.890562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.890562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.890562 (E_RNA)
where:
Base-Base interactions energy: -29.657
where: short stacking energy: -25.744
Base-Backbone interact. energy: -0.057
local terms energy: -68.176060
where:
bonds (distance) C4'-P energy: -22.092
bonds (distance) P-C4' energy: -18.264
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -14.463
tors. eta vs tors. theta energy: 0.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -392.111877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.111877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.111877 (E_RNA)
where:
Base-Base interactions energy: -275.468
where: short stacking energy: -111.760
Base-Backbone interact. energy: -0.061
local terms energy: -116.582895
where:
bonds (distance) C4'-P energy: -20.963
bonds (distance) P-C4' energy: -22.912
flat angles C4'-P-C4' energy: -25.082
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -35.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -384.934632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.934632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.934632 (E_RNA)
where:
Base-Base interactions energy: -260.935
where: short stacking energy: -110.738
Base-Backbone interact. energy: -0.069
local terms energy: -123.930752
where:
bonds (distance) C4'-P energy: -24.027
bonds (distance) P-C4' energy: -23.647
flat angles C4'-P-C4' energy: -25.797
flat angles P-C4'-P energy: -17.973
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: 5
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -375.878731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.878731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.878731 (E_RNA)
where:
Base-Base interactions energy: -272.618
where: short stacking energy: -110.863
Base-Backbone interact. energy: -0.116
local terms energy: -103.144772
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -23.101
flat angles C4'-P-C4' energy: -22.455
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -33.226
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: 2
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -372.384176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.384176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.384176 (E_RNA)
where:
Base-Base interactions energy: -260.921
where: short stacking energy: -116.688
Base-Backbone interact. energy: 0.119
local terms energy: -111.582152
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -19.787
flat angles C4'-P-C4' energy: -23.535
flat angles P-C4'-P energy: -15.309
tors. eta vs tors. theta energy: -33.614
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: 3
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -298.912818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.912818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.912818 (E_RNA)
where:
Base-Base interactions energy: -203.535
where: short stacking energy: -85.193
Base-Backbone interact. energy: -2.585
local terms energy: -92.792461
where:
bonds (distance) C4'-P energy: -20.440
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -25.226
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: 8
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -331.890887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.890887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.890887 (E_RNA)
where:
Base-Base interactions energy: -228.488
where: short stacking energy: -102.709
Base-Backbone interact. energy: -0.038
local terms energy: -103.364957
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -20.479
flat angles C4'-P-C4' energy: -22.873
flat angles P-C4'-P energy: -17.892
tors. eta vs tors. theta energy: -26.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -317.683672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.683672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.683672 (E_RNA)
where:
Base-Base interactions energy: -225.203
where: short stacking energy: -94.087
Base-Backbone interact. energy: -0.819
local terms energy: -91.661129
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -22.310
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -24.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -116.817243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.817243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.817243 (E_RNA)
where:
Base-Base interactions energy: -42.632
where: short stacking energy: -34.786
Base-Backbone interact. energy: -0.189
local terms energy: -73.995458
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -23.969
flat angles C4'-P-C4' energy: -22.281
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -1.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -190.271206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.271206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.271206 (E_RNA)
where:
Base-Base interactions energy: -119.292
where: short stacking energy: -59.437
Base-Backbone interact. energy: 1.388
local terms energy: -72.367118
where:
bonds (distance) C4'-P energy: -19.131
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -13.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -106.725174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.725174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.725174 (E_RNA)
where:
Base-Base interactions energy: -47.094
where: short stacking energy: -29.217
Base-Backbone interact. energy: -0.223
local terms energy: -59.407609
where:
bonds (distance) C4'-P energy: -19.512
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -18.176
flat angles P-C4'-P energy: -4.292
tors. eta vs tors. theta energy: -1.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -394.892048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.892048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.892048 (E_RNA)
where:
Base-Base interactions energy: -274.505
where: short stacking energy: -112.447
Base-Backbone interact. energy: -0.077
local terms energy: -120.310160
where:
bonds (distance) C4'-P energy: -24.122
bonds (distance) P-C4' energy: -23.377
flat angles C4'-P-C4' energy: -23.286
flat angles P-C4'-P energy: -14.585
tors. eta vs tors. theta energy: -34.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -388.266661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.266661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.266661 (E_RNA)
where:
Base-Base interactions energy: -270.829
where: short stacking energy: -114.654
Base-Backbone interact. energy: -0.987
local terms energy: -116.450606
where:
bonds (distance) C4'-P energy: -21.926
bonds (distance) P-C4' energy: -24.889
flat angles C4'-P-C4' energy: -20.316
flat angles P-C4'-P energy: -16.524
tors. eta vs tors. theta energy: -32.795
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: 10
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -382.201280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.201280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.201280 (E_RNA)
where:
Base-Base interactions energy: -268.512
where: short stacking energy: -107.229
Base-Backbone interact. energy: -0.709
local terms energy: -112.979995
where:
bonds (distance) C4'-P energy: -20.158
bonds (distance) P-C4' energy: -22.766
flat angles C4'-P-C4' energy: -25.418
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -33.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -362.507805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.507805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.507805 (E_RNA)
where:
Base-Base interactions energy: -248.553
where: short stacking energy: -102.986
Base-Backbone interact. energy: -0.049
local terms energy: -113.905576
where:
bonds (distance) C4'-P energy: -20.659
bonds (distance) P-C4' energy: -25.219
flat angles C4'-P-C4' energy: -23.189
flat angles P-C4'-P energy: -14.670
tors. eta vs tors. theta energy: -30.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -308.904081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.904081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.904081 (E_RNA)
where:
Base-Base interactions energy: -202.271
where: short stacking energy: -89.806
Base-Backbone interact. energy: -0.007
local terms energy: -106.625510
where:
bonds (distance) C4'-P energy: -24.262
bonds (distance) P-C4' energy: -18.110
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -18.915
tors. eta vs tors. theta energy: -27.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -339.113874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.113874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.113874 (E_RNA)
where:
Base-Base interactions energy: -242.387
where: short stacking energy: -95.656
Base-Backbone interact. energy: -0.121
local terms energy: -96.606046
where:
bonds (distance) C4'-P energy: -22.750
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -26.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -322.445975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.445975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.445975 (E_RNA)
where:
Base-Base interactions energy: -226.256
where: short stacking energy: -92.619
Base-Backbone interact. energy: -0.106
local terms energy: -96.083751
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -25.741
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -16.957
tors. eta vs tors. theta energy: -24.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -210.076661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.076661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.076661 (E_RNA)
where:
Base-Base interactions energy: -142.454
where: short stacking energy: -67.313
Base-Backbone interact. energy: -0.444
local terms energy: -67.178347
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -17.845
flat angles C4'-P-C4' energy: -18.512
flat angles P-C4'-P energy: -5.770
tors. eta vs tors. theta energy: -8.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -115.784145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.784145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.784145 (E_RNA)
where:
Base-Base interactions energy: -48.427
where: short stacking energy: -45.752
Base-Backbone interact. energy: 1.937
local terms energy: -69.294805
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -19.505
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -7.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -106.168518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.168518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.168518 (E_RNA)
where:
Base-Base interactions energy: -38.239
where: short stacking energy: -35.340
Base-Backbone interact. energy: 0.547
local terms energy: -68.476934
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -20.890
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -13.954
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: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -398.801138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.801138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.801138 (E_RNA)
where:
Base-Base interactions energy: -281.964
where: short stacking energy: -118.874
Base-Backbone interact. energy: -0.008
local terms energy: -116.829763
where:
bonds (distance) C4'-P energy: -21.858
bonds (distance) P-C4' energy: -18.667
flat angles C4'-P-C4' energy: -23.882
flat angles P-C4'-P energy: -17.644
tors. eta vs tors. theta energy: -34.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -393.093910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.093910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.093910 (E_RNA)
where:
Base-Base interactions energy: -272.191
where: short stacking energy: -109.567
Base-Backbone interact. energy: -0.016
local terms energy: -120.887430
where:
bonds (distance) C4'-P energy: -25.540
bonds (distance) P-C4' energy: -23.409
flat angles C4'-P-C4' energy: -24.739
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: -33.481
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: 3, replica: 2
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -366.591374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.591374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.591374 (E_RNA)
where:
Base-Base interactions energy: -252.459
where: short stacking energy: -108.820
Base-Backbone interact. energy: -0.004
local terms energy: -114.128705
where:
bonds (distance) C4'-P energy: -20.114
bonds (distance) P-C4' energy: -18.485
flat angles C4'-P-C4' energy: -23.215
flat angles P-C4'-P energy: -19.427
tors. eta vs tors. theta energy: -32.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -381.142044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.142044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.142044 (E_RNA)
where:
Base-Base interactions energy: -274.347
where: short stacking energy: -109.742
Base-Backbone interact. energy: 0.919
local terms energy: -107.714377
where:
bonds (distance) C4'-P energy: -21.123
bonds (distance) P-C4' energy: -19.494
flat angles C4'-P-C4' energy: -21.886
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -32.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -317.759557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.759557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.759557 (E_RNA)
where:
Base-Base interactions energy: -216.592
where: short stacking energy: -94.493
Base-Backbone interact. energy: -0.003
local terms energy: -101.164180
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -19.749
flat angles C4'-P-C4' energy: -22.717
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -31.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -338.844268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.844268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.844268 (E_RNA)
where:
Base-Base interactions energy: -228.136
where: short stacking energy: -95.136
Base-Backbone interact. energy: -0.462
local terms energy: -110.246245
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -24.744
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -30.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -272.861613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.861613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.861613 (E_RNA)
where:
Base-Base interactions energy: -172.763
where: short stacking energy: -71.687
Base-Backbone interact. energy: -0.283
local terms energy: -99.816108
where:
bonds (distance) C4'-P energy: -20.267
bonds (distance) P-C4' energy: -24.476
flat angles C4'-P-C4' energy: -23.926
flat angles P-C4'-P energy: -15.368
tors. eta vs tors. theta energy: -15.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -216.897609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.897609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.897609 (E_RNA)
where:
Base-Base interactions energy: -146.251
where: short stacking energy: -63.684
Base-Backbone interact. energy: -0.199
local terms energy: -70.448138
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -22.521
flat angles C4'-P-C4' energy: -9.807
flat angles P-C4'-P energy: -3.861
tors. eta vs tors. theta energy: -18.393
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: 7
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -109.938055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.938055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.938055 (E_RNA)
where:
Base-Base interactions energy: -39.599
where: short stacking energy: -39.599
Base-Backbone interact. energy: -0.121
local terms energy: -70.218796
where:
bonds (distance) C4'-P energy: -18.453
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -18.616
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -4.006
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: 1
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -121.641049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.641049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.641049 (E_RNA)
where:
Base-Base interactions energy: -51.574
where: short stacking energy: -46.403
Base-Backbone interact. energy: -0.116
local terms energy: -69.950709
where:
bonds (distance) C4'-P energy: -18.684
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -19.493
flat angles P-C4'-P energy: -8.863
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: 1, replica: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -392.544732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.544732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.544732 (E_RNA)
where:
Base-Base interactions energy: -277.276
where: short stacking energy: -112.786
Base-Backbone interact. energy: -0.151
local terms energy: -115.117791
where:
bonds (distance) C4'-P energy: -21.534
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -20.878
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -36.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -372.639946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.639946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.639946 (E_RNA)
where:
Base-Base interactions energy: -261.434
where: short stacking energy: -107.404
Base-Backbone interact. energy: 0.916
local terms energy: -112.121871
where:
bonds (distance) C4'-P energy: -20.784
bonds (distance) P-C4' energy: -20.483
flat angles C4'-P-C4' energy: -21.895
flat angles P-C4'-P energy: -15.655
tors. eta vs tors. theta energy: -33.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -386.172332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.172332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.172332 (E_RNA)
where:
Base-Base interactions energy: -272.668
where: short stacking energy: -112.658
Base-Backbone interact. energy: -0.005
local terms energy: -113.500038
where:
bonds (distance) C4'-P energy: -21.688
bonds (distance) P-C4' energy: -21.327
flat angles C4'-P-C4' energy: -24.472
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -33.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -386.432890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.432890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.432890 (E_RNA)
where:
Base-Base interactions energy: -267.159
where: short stacking energy: -109.128
Base-Backbone interact. energy: -0.020
local terms energy: -119.254428
where:
bonds (distance) C4'-P energy: -22.543
bonds (distance) P-C4' energy: -21.027
flat angles C4'-P-C4' energy: -23.146
flat angles P-C4'-P energy: -20.702
tors. eta vs tors. theta energy: -31.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -313.257176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.257176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.257176 (E_RNA)
where:
Base-Base interactions energy: -208.227
where: short stacking energy: -96.845
Base-Backbone interact. energy: -0.104
local terms energy: -104.925960
where:
bonds (distance) C4'-P energy: -20.114
bonds (distance) P-C4' energy: -20.025
flat angles C4'-P-C4' energy: -21.018
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -30.325
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: 6
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -353.157646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.157646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.157646 (E_RNA)
where:
Base-Base interactions energy: -251.439
where: short stacking energy: -105.996
Base-Backbone interact. energy: -0.498
local terms energy: -101.220132
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -21.915
flat angles C4'-P-C4' energy: -22.667
flat angles P-C4'-P energy: -15.337
tors. eta vs tors. theta energy: -31.036
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: 7, replica: 8
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -274.145911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.145911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.145911 (E_RNA)
where:
Base-Base interactions energy: -178.436
where: short stacking energy: -74.807
Base-Backbone interact. energy: 0.600
local terms energy: -96.310348
where:
bonds (distance) C4'-P energy: -18.993
bonds (distance) P-C4' energy: -20.702
flat angles C4'-P-C4' energy: -20.699
flat angles P-C4'-P energy: -18.614
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: 8, replica: 4
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -228.403903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.403903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.403903 (E_RNA)
where:
Base-Base interactions energy: -141.214
where: short stacking energy: -72.426
Base-Backbone interact. energy: -0.587
local terms energy: -86.602928
where:
bonds (distance) C4'-P energy: -18.151
bonds (distance) P-C4' energy: -21.335
flat angles C4'-P-C4' energy: -18.428
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -15.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -121.654383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.654383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.654383 (E_RNA)
where:
Base-Base interactions energy: -43.371
where: short stacking energy: -37.129
Base-Backbone interact. energy: -0.178
local terms energy: -78.105910
where:
bonds (distance) C4'-P energy: -22.787
bonds (distance) P-C4' energy: -22.864
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -5.701
tors. eta vs tors. theta energy: -8.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -112.561158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.561158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.561158 (E_RNA)
where:
Base-Base interactions energy: -50.317
where: short stacking energy: -31.184
Base-Backbone interact. energy: 1.730
local terms energy: -63.974088
where:
bonds (distance) C4'-P energy: -23.728
bonds (distance) P-C4' energy: -19.229
flat angles C4'-P-C4' energy: -12.391
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -1.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -369.701381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.701381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.701381 (E_RNA)
where:
Base-Base interactions energy: -254.131
where: short stacking energy: -105.644
Base-Backbone interact. energy: 0.403
local terms energy: -115.973079
where:
bonds (distance) C4'-P energy: -21.736
bonds (distance) P-C4' energy: -21.438
flat angles C4'-P-C4' energy: -24.976
flat angles P-C4'-P energy: -18.453
tors. eta vs tors. theta energy: -29.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -392.642483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.642483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.642483 (E_RNA)
where:
Base-Base interactions energy: -274.290
where: short stacking energy: -109.142
Base-Backbone interact. energy: -1.222
local terms energy: -117.130896
where:
bonds (distance) C4'-P energy: -21.151
bonds (distance) P-C4' energy: -24.868
flat angles C4'-P-C4' energy: -21.126
flat angles P-C4'-P energy: -18.836
tors. eta vs tors. theta energy: -31.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -385.314248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.314248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.314248 (E_RNA)
where:
Base-Base interactions energy: -268.008
where: short stacking energy: -114.415
Base-Backbone interact. energy: -0.201
local terms energy: -117.104705
where:
bonds (distance) C4'-P energy: -22.851
bonds (distance) P-C4' energy: -20.913
flat angles C4'-P-C4' energy: -22.603
flat angles P-C4'-P energy: -15.897
tors. eta vs tors. theta energy: -34.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -381.524610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.524610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.524610 (E_RNA)
where:
Base-Base interactions energy: -271.097
where: short stacking energy: -104.386
Base-Backbone interact. energy: -0.007
local terms energy: -110.420763
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -22.936
flat angles C4'-P-C4' energy: -23.977
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: -34.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -366.962248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.962248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.962248 (E_RNA)
where:
Base-Base interactions energy: -268.827
where: short stacking energy: -109.805
Base-Backbone interact. energy: -0.019
local terms energy: -98.116228
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -19.463
flat angles C4'-P-C4' energy: -24.010
flat angles P-C4'-P energy: -4.759
tors. eta vs tors. theta energy: -33.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -305.643505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.643505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.643505 (E_RNA)
where:
Base-Base interactions energy: -207.258
where: short stacking energy: -94.836
Base-Backbone interact. energy: -0.304
local terms energy: -98.081582
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -20.729
flat angles C4'-P-C4' energy: -21.242
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: -28.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -291.209107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.209107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.209107 (E_RNA)
where:
Base-Base interactions energy: -184.867
where: short stacking energy: -85.026
Base-Backbone interact. energy: 1.699
local terms energy: -108.040909
where:
bonds (distance) C4'-P energy: -19.567
bonds (distance) P-C4' energy: -23.669
flat angles C4'-P-C4' energy: -23.896
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -28.190
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: 374
Temperature: 1.250000
Total energy: -194.569563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.569563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.569563 (E_RNA)
where:
Base-Base interactions energy: -122.582
where: short stacking energy: -54.500
Base-Backbone interact. energy: -0.047
local terms energy: -71.939881
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -19.950
flat angles P-C4'-P energy: -5.083
tors. eta vs tors. theta energy: -11.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -112.118452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.118452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.118452 (E_RNA)
where:
Base-Base interactions energy: -39.919
where: short stacking energy: -38.070
Base-Backbone interact. energy: -0.378
local terms energy: -71.821212
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -20.447
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -7.112
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: 10, replica: 7
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -106.480510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.480510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.480510 (E_RNA)
where:
Base-Base interactions energy: -45.252
where: short stacking energy: -44.787
Base-Backbone interact. energy: -0.868
local terms energy: -60.360528
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -3.967
tors. eta vs tors. theta energy: -6.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -375.684587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.684587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.684587 (E_RNA)
where:
Base-Base interactions energy: -252.831
where: short stacking energy: -106.442
Base-Backbone interact. energy: -0.870
local terms energy: -121.982786
where:
bonds (distance) C4'-P energy: -20.694
bonds (distance) P-C4' energy: -21.134
flat angles C4'-P-C4' energy: -27.025
flat angles P-C4'-P energy: -22.842
tors. eta vs tors. theta energy: -30.289
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: 10
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -378.377617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.377617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.377617 (E_RNA)
where:
Base-Base interactions energy: -264.568
where: short stacking energy: -104.608
Base-Backbone interact. energy: -0.034
local terms energy: -113.775593
where:
bonds (distance) C4'-P energy: -24.718
bonds (distance) P-C4' energy: -22.231
flat angles C4'-P-C4' energy: -20.664
flat angles P-C4'-P energy: -14.988
tors. eta vs tors. theta energy: -31.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -378.698423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.698423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.698423 (E_RNA)
where:
Base-Base interactions energy: -265.886
where: short stacking energy: -110.755
Base-Backbone interact. energy: -0.067
local terms energy: -112.745650
where:
bonds (distance) C4'-P energy: -18.119
bonds (distance) P-C4' energy: -23.409
flat angles C4'-P-C4' energy: -22.752
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -34.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -380.671158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.671158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.671158 (E_RNA)
where:
Base-Base interactions energy: -274.997
where: short stacking energy: -106.529
Base-Backbone interact. energy: 1.735
local terms energy: -107.408554
where:
bonds (distance) C4'-P energy: -21.421
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -25.048
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -32.617
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: 5, replica: 6
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -377.275027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.275027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.275027 (E_RNA)
where:
Base-Base interactions energy: -267.618
where: short stacking energy: -108.601
Base-Backbone interact. energy: 0.029
local terms energy: -109.685638
where:
bonds (distance) C4'-P energy: -19.351
bonds (distance) P-C4' energy: -21.994
flat angles C4'-P-C4' energy: -21.698
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -34.634
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: 8
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -293.909031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.909031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.909031 (E_RNA)
where:
Base-Base interactions energy: -203.856
where: short stacking energy: -81.635
Base-Backbone interact. energy: -0.164
local terms energy: -89.889155
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -21.949
flat angles C4'-P-C4' energy: -21.121
flat angles P-C4'-P energy: -15.058
tors. eta vs tors. theta energy: -20.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -251.246431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.246431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.246431 (E_RNA)
where:
Base-Base interactions energy: -166.431
where: short stacking energy: -72.490
Base-Backbone interact. energy: -0.491
local terms energy: -84.323650
where:
bonds (distance) C4'-P energy: -19.757
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -13.446
tors. eta vs tors. theta energy: -18.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -183.997971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.997971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.997971 (E_RNA)
where:
Base-Base interactions energy: -122.507
where: short stacking energy: -55.128
Base-Backbone interact. energy: 0.044
local terms energy: -61.535263
where:
bonds (distance) C4'-P energy: -19.488
bonds (distance) P-C4' energy: -3.807
flat angles C4'-P-C4' energy: -19.212
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -10.703
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: 375
Temperature: 1.300000
Total energy: -121.300051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.300051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.300051 (E_RNA)
where:
Base-Base interactions energy: -41.143
where: short stacking energy: -41.143
Base-Backbone interact. energy: 0.353
local terms energy: -80.509729
where:
bonds (distance) C4'-P energy: -19.116
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -22.760
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -11.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -132.849145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.849145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.849145 (E_RNA)
where:
Base-Base interactions energy: -59.331
where: short stacking energy: -48.676
Base-Backbone interact. energy: -0.557
local terms energy: -72.961275
where:
bonds (distance) C4'-P energy: -20.359
bonds (distance) P-C4' energy: -21.257
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -8.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -390.860766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.860766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.860766 (E_RNA)
where:
Base-Base interactions energy: -276.508
where: short stacking energy: -108.320
Base-Backbone interact. energy: 0.291
local terms energy: -114.643596
where:
bonds (distance) C4'-P energy: -23.582
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -21.827
flat angles P-C4'-P energy: -16.007
tors. eta vs tors. theta energy: -33.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -376.834263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.834263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.834263 (E_RNA)
where:
Base-Base interactions energy: -252.471
where: short stacking energy: -118.594
Base-Backbone interact. energy: -0.625
local terms energy: -123.738374
where:
bonds (distance) C4'-P energy: -23.517
bonds (distance) P-C4' energy: -23.031
flat angles C4'-P-C4' energy: -24.327
flat angles P-C4'-P energy: -18.370
tors. eta vs tors. theta energy: -34.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -381.117129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.117129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.117129 (E_RNA)
where:
Base-Base interactions energy: -270.771
where: short stacking energy: -112.340
Base-Backbone interact. energy: -0.001
local terms energy: -110.344700
where:
bonds (distance) C4'-P energy: -20.301
bonds (distance) P-C4' energy: -20.875
flat angles C4'-P-C4' energy: -21.861
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -33.619
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: 9
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -379.876000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.876000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.876000 (E_RNA)
where:
Base-Base interactions energy: -266.255
where: short stacking energy: -104.101
Base-Backbone interact. energy: -0.447
local terms energy: -113.174080
where:
bonds (distance) C4'-P energy: -21.825
bonds (distance) P-C4' energy: -21.087
flat angles C4'-P-C4' energy: -19.538
flat angles P-C4'-P energy: -18.412
tors. eta vs tors. theta energy: -32.312
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: 376
Temperature: 1.100000
Total energy: -368.531503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.531503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.531503 (E_RNA)
where:
Base-Base interactions energy: -268.137
where: short stacking energy: -107.319
Base-Backbone interact. energy: -0.249
local terms energy: -100.145252
where:
bonds (distance) C4'-P energy: -19.005
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -21.165
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -33.392
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: 8
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -303.210145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.210145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.210145 (E_RNA)
where:
Base-Base interactions energy: -204.252
where: short stacking energy: -83.820
Base-Backbone interact. energy: 0.137
local terms energy: -99.094897
where:
bonds (distance) C4'-P energy: -19.393
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -28.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -261.685293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.685293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.685293 (E_RNA)
where:
Base-Base interactions energy: -174.744
where: short stacking energy: -78.151
Base-Backbone interact. energy: 0.736
local terms energy: -87.677028
where:
bonds (distance) C4'-P energy: -21.956
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -20.904
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -19.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -211.534176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.534176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.534176 (E_RNA)
where:
Base-Base interactions energy: -119.328
where: short stacking energy: -52.480
Base-Backbone interact. energy: 0.484
local terms energy: -92.690289
where:
bonds (distance) C4'-P energy: -16.888
bonds (distance) P-C4' energy: -20.356
flat angles C4'-P-C4' energy: -23.805
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -19.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -129.019646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.019646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.019646 (E_RNA)
where:
Base-Base interactions energy: -68.191
where: short stacking energy: -42.453
Base-Backbone interact. energy: 1.000
local terms energy: -61.828504
where:
bonds (distance) C4'-P energy: -17.892
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -3.426
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: 1
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -106.913893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.913893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.913893 (E_RNA)
where:
Base-Base interactions energy: -43.748
where: short stacking energy: -43.748
Base-Backbone interact. energy: 0.499
local terms energy: -63.665357
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -21.964
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -3.041
tors. eta vs tors. theta energy: -6.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -394.718879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.718879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.718879 (E_RNA)
where:
Base-Base interactions energy: -282.555
where: short stacking energy: -120.328
Base-Backbone interact. energy: -0.002
local terms energy: -112.161653
where:
bonds (distance) C4'-P energy: -17.626
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -22.336
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -36.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -392.802315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.802315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.802315 (E_RNA)
where:
Base-Base interactions energy: -273.354
where: short stacking energy: -109.448
Base-Backbone interact. energy: -0.314
local terms energy: -119.133825
where:
bonds (distance) C4'-P energy: -24.465
bonds (distance) P-C4' energy: -19.444
flat angles C4'-P-C4' energy: -26.196
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -37.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -370.300566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.300566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.300566 (E_RNA)
where:
Base-Base interactions energy: -253.499
where: short stacking energy: -108.439
Base-Backbone interact. energy: -0.596
local terms energy: -116.205826
where:
bonds (distance) C4'-P energy: -22.474
bonds (distance) P-C4' energy: -20.279
flat angles C4'-P-C4' energy: -24.996
flat angles P-C4'-P energy: -18.762
tors. eta vs tors. theta energy: -29.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -374.979892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.979892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.979892 (E_RNA)
where:
Base-Base interactions energy: -266.759
where: short stacking energy: -105.731
Base-Backbone interact. energy: -0.006
local terms energy: -108.215256
where:
bonds (distance) C4'-P energy: -23.555
bonds (distance) P-C4' energy: -19.832
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -33.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -369.699551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.699551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.699551 (E_RNA)
where:
Base-Base interactions energy: -261.911
where: short stacking energy: -107.966
Base-Backbone interact. energy: 0.976
local terms energy: -108.764297
where:
bonds (distance) C4'-P energy: -20.383
bonds (distance) P-C4' energy: -19.062
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -16.444
tors. eta vs tors. theta energy: -34.362
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: 6, replica: 8
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -310.725297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.725297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.725297 (E_RNA)
where:
Base-Base interactions energy: -215.803
where: short stacking energy: -91.174
Base-Backbone interact. energy: -0.308
local terms energy: -94.614040
where:
bonds (distance) C4'-P energy: -21.767
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -19.138
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -26.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -249.827329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.827329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.827329 (E_RNA)
where:
Base-Base interactions energy: -171.853
where: short stacking energy: -69.744
Base-Backbone interact. energy: -0.494
local terms energy: -77.480444
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -12.302
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: 8, replica: 4
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -219.490387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.490387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.490387 (E_RNA)
where:
Base-Base interactions energy: -136.446
where: short stacking energy: -51.256
Base-Backbone interact. energy: -0.173
local terms energy: -82.871119
where:
bonds (distance) C4'-P energy: -23.608
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -20.549
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -8.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -154.245478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.245478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.245478 (E_RNA)
where:
Base-Base interactions energy: -84.434
where: short stacking energy: -57.118
Base-Backbone interact. energy: -0.041
local terms energy: -69.770249
where:
bonds (distance) C4'-P energy: -18.698
bonds (distance) P-C4' energy: -10.966
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -13.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -98.705663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.705663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.705663 (E_RNA)
where:
Base-Base interactions energy: -39.510
where: short stacking energy: -28.959
Base-Backbone interact. energy: -0.299
local terms energy: -58.896829
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -0.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -401.320610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.320610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.320610 (E_RNA)
where:
Base-Base interactions energy: -280.481
where: short stacking energy: -113.300
Base-Backbone interact. energy: -0.011
local terms energy: -120.829320
where:
bonds (distance) C4'-P energy: -23.006
bonds (distance) P-C4' energy: -21.264
flat angles C4'-P-C4' energy: -22.329
flat angles P-C4'-P energy: -18.691
tors. eta vs tors. theta energy: -35.538
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: 10
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -385.763897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.763897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.763897 (E_RNA)
where:
Base-Base interactions energy: -273.972
where: short stacking energy: -114.648
Base-Backbone interact. energy: -0.013
local terms energy: -111.778075
where:
bonds (distance) C4'-P energy: -21.195
bonds (distance) P-C4' energy: -19.585
flat angles C4'-P-C4' energy: -22.077
flat angles P-C4'-P energy: -16.366
tors. eta vs tors. theta energy: -32.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -383.221905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.221905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.221905 (E_RNA)
where:
Base-Base interactions energy: -275.981
where: short stacking energy: -112.858
Base-Backbone interact. energy: -1.161
local terms energy: -106.080376
where:
bonds (distance) C4'-P energy: -22.185
bonds (distance) P-C4' energy: -17.148
flat angles C4'-P-C4' energy: -21.243
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -33.584
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: 2
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -353.585914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.585914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.585914 (E_RNA)
where:
Base-Base interactions energy: -248.108
where: short stacking energy: -95.234
Base-Backbone interact. energy: -0.333
local terms energy: -105.145065
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -22.910
flat angles C4'-P-C4' energy: -24.429
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -28.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -363.679486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.679486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.679486 (E_RNA)
where:
Base-Base interactions energy: -263.049
where: short stacking energy: -105.830
Base-Backbone interact. energy: -0.268
local terms energy: -100.361815
where:
bonds (distance) C4'-P energy: -19.224
bonds (distance) P-C4' energy: -20.074
flat angles C4'-P-C4' energy: -23.066
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -30.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -334.559757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.559757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.559757 (E_RNA)
where:
Base-Base interactions energy: -236.424
where: short stacking energy: -95.752
Base-Backbone interact. energy: -0.097
local terms energy: -98.038368
where:
bonds (distance) C4'-P energy: -21.240
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -27.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -279.193408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.193408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.193408 (E_RNA)
where:
Base-Base interactions energy: -184.071
where: short stacking energy: -70.269
Base-Backbone interact. energy: -1.193
local terms energy: -93.929385
where:
bonds (distance) C4'-P energy: -20.987
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -19.041
tors. eta vs tors. theta energy: -16.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -211.458221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.458221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.458221 (E_RNA)
where:
Base-Base interactions energy: -141.692
where: short stacking energy: -69.914
Base-Backbone interact. energy: 2.131
local terms energy: -71.896607
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -7.378
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -16.260
tors. eta vs tors. theta energy: -17.059
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: 1
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -117.991112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.991112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.991112 (E_RNA)
where:
Base-Base interactions energy: -42.742
where: short stacking energy: -42.602
Base-Backbone interact. energy: -0.114
local terms energy: -75.134622
where:
bonds (distance) C4'-P energy: -18.117
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -22.119
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -4.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -102.835764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.835764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.835764 (E_RNA)
where:
Base-Base interactions energy: -26.985
where: short stacking energy: -26.349
Base-Backbone interact. energy: -0.348
local terms energy: -75.502951
where:
bonds (distance) C4'-P energy: -20.661
bonds (distance) P-C4' energy: -24.010
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -14.914
tors. eta vs tors. theta energy: 0.216
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: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -386.899314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.899314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.899314 (E_RNA)
where:
Base-Base interactions energy: -275.779
where: short stacking energy: -112.436
Base-Backbone interact. energy: -0.004
local terms energy: -111.116318
where:
bonds (distance) C4'-P energy: -18.664
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -25.323
flat angles P-C4'-P energy: -19.821
tors. eta vs tors. theta energy: -32.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -390.217165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.217165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.217165 (E_RNA)
where:
Base-Base interactions energy: -279.859
where: short stacking energy: -113.350
Base-Backbone interact. energy: -0.002
local terms energy: -110.356290
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -20.008
flat angles C4'-P-C4' energy: -23.534
flat angles P-C4'-P energy: -16.048
tors. eta vs tors. theta energy: -31.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -383.959355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.959355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.959355 (E_RNA)
where:
Base-Base interactions energy: -271.371
where: short stacking energy: -108.010
Base-Backbone interact. energy: -0.001
local terms energy: -112.587705
where:
bonds (distance) C4'-P energy: -23.463
bonds (distance) P-C4' energy: -17.758
flat angles C4'-P-C4' energy: -22.480
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -35.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -374.507931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.507931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.507931 (E_RNA)
where:
Base-Base interactions energy: -256.262
where: short stacking energy: -109.524
Base-Backbone interact. energy: -0.025
local terms energy: -118.220732
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -22.862
flat angles C4'-P-C4' energy: -25.722
flat angles P-C4'-P energy: -19.346
tors. eta vs tors. theta energy: -32.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -338.892972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.892972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.892972 (E_RNA)
where:
Base-Base interactions energy: -247.010
where: short stacking energy: -99.675
Base-Backbone interact. energy: -0.054
local terms energy: -91.829337
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -21.552
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -30.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -346.682877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.682877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.682877 (E_RNA)
where:
Base-Base interactions energy: -249.604
where: short stacking energy: -109.915
Base-Backbone interact. energy: 1.632
local terms energy: -98.711105
where:
bonds (distance) C4'-P energy: -19.686
bonds (distance) P-C4' energy: -21.921
flat angles C4'-P-C4' energy: -18.635
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -26.184
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: 3
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -273.087302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.087302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.087302 (E_RNA)
where:
Base-Base interactions energy: -180.101
where: short stacking energy: -77.986
Base-Backbone interact. energy: -0.171
local terms energy: -92.814726
where:
bonds (distance) C4'-P energy: -18.901
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -22.040
flat angles P-C4'-P energy: -15.553
tors. eta vs tors. theta energy: -18.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -196.466151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.466151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.466151 (E_RNA)
where:
Base-Base interactions energy: -115.561
where: short stacking energy: -51.856
Base-Backbone interact. energy: 1.231
local terms energy: -82.135884
where:
bonds (distance) C4'-P energy: -24.774
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -20.903
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -11.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -113.729312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.729312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.729312 (E_RNA)
where:
Base-Base interactions energy: -43.053
where: short stacking energy: -42.473
Base-Backbone interact. energy: -0.095
local terms energy: -70.581795
where:
bonds (distance) C4'-P energy: -19.189
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -7.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -102.391767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.391767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.391767 (E_RNA)
where:
Base-Base interactions energy: -37.891
where: short stacking energy: -27.690
Base-Backbone interact. energy: -0.560
local terms energy: -63.940784
where:
bonds (distance) C4'-P energy: -18.100
bonds (distance) P-C4' energy: -19.902
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: 3.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -391.612157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.612157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.612157 (E_RNA)
where:
Base-Base interactions energy: -268.481
where: short stacking energy: -104.580
Base-Backbone interact. energy: -0.010
local terms energy: -123.121200
where:
bonds (distance) C4'-P energy: -24.845
bonds (distance) P-C4' energy: -22.428
flat angles C4'-P-C4' energy: -22.753
flat angles P-C4'-P energy: -18.274
tors. eta vs tors. theta energy: -34.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -384.934255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.934255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.934255 (E_RNA)
where:
Base-Base interactions energy: -269.587
where: short stacking energy: -108.984
Base-Backbone interact. energy: -0.163
local terms energy: -115.184454
where:
bonds (distance) C4'-P energy: -21.592
bonds (distance) P-C4' energy: -21.241
flat angles C4'-P-C4' energy: -23.275
flat angles P-C4'-P energy: -14.360
tors. eta vs tors. theta energy: -34.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -383.509598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.509598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.509598 (E_RNA)
where:
Base-Base interactions energy: -267.742
where: short stacking energy: -103.992
Base-Backbone interact. energy: -0.100
local terms energy: -115.667152
where:
bonds (distance) C4'-P energy: -21.894
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -23.773
flat angles P-C4'-P energy: -16.620
tors. eta vs tors. theta energy: -34.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -380.353272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.353272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.353272 (E_RNA)
where:
Base-Base interactions energy: -275.396
where: short stacking energy: -114.595
Base-Backbone interact. energy: -0.004
local terms energy: -104.953625
where:
bonds (distance) C4'-P energy: -19.023
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -22.347
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -30.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -345.635116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.635116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.635116 (E_RNA)
where:
Base-Base interactions energy: -239.664
where: short stacking energy: -99.148
Base-Backbone interact. energy: -0.088
local terms energy: -105.883122
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -23.738
flat angles P-C4'-P energy: -13.705
tors. eta vs tors. theta energy: -30.765
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: 6, replica: 8
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -321.656428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.656428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.656428 (E_RNA)
where:
Base-Base interactions energy: -227.984
where: short stacking energy: -91.731
Base-Backbone interact. energy: -0.025
local terms energy: -93.647273
where:
bonds (distance) C4'-P energy: -9.916
bonds (distance) P-C4' energy: -21.252
flat angles C4'-P-C4' energy: -20.446
flat angles P-C4'-P energy: -19.648
tors. eta vs tors. theta energy: -22.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -248.884566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.884566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.884566 (E_RNA)
where:
Base-Base interactions energy: -159.597
where: short stacking energy: -73.158
Base-Backbone interact. energy: 1.066
local terms energy: -90.354191
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -16.047
tors. eta vs tors. theta energy: -22.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -178.387141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.387141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.387141 (E_RNA)
where:
Base-Base interactions energy: -95.709
where: short stacking energy: -51.147
Base-Backbone interact. energy: -1.535
local terms energy: -81.142995
where:
bonds (distance) C4'-P energy: -18.427
bonds (distance) P-C4' energy: -24.868
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -8.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -108.049703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.049703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.049703 (E_RNA)
where:
Base-Base interactions energy: -34.324
where: short stacking energy: -29.978
Base-Backbone interact. energy: -0.453
local terms energy: -73.272522
where:
bonds (distance) C4'-P energy: -20.292
bonds (distance) P-C4' energy: -18.737
flat angles C4'-P-C4' energy: -21.604
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -2.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -124.816348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.816348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.816348 (E_RNA)
where:
Base-Base interactions energy: -61.872
where: short stacking energy: -46.516
Base-Backbone interact. energy: -0.344
local terms energy: -62.601181
where:
bonds (distance) C4'-P energy: -18.309
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -2.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -393.755315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.755315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.755315 (E_RNA)
where:
Base-Base interactions energy: -279.338
where: short stacking energy: -114.115
Base-Backbone interact. energy: -0.083
local terms energy: -114.334115
where:
bonds (distance) C4'-P energy: -24.370
bonds (distance) P-C4' energy: -20.252
flat angles C4'-P-C4' energy: -21.906
flat angles P-C4'-P energy: -15.935
tors. eta vs tors. theta energy: -31.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -387.139574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.139574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.139574 (E_RNA)
where:
Base-Base interactions energy: -274.098
where: short stacking energy: -110.740
Base-Backbone interact. energy: -0.256
local terms energy: -112.786341
where:
bonds (distance) C4'-P energy: -24.229
bonds (distance) P-C4' energy: -20.491
flat angles C4'-P-C4' energy: -23.528
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -32.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -384.958385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.958385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.958385 (E_RNA)
where:
Base-Base interactions energy: -269.247
where: short stacking energy: -109.070
Base-Backbone interact. energy: -0.008
local terms energy: -115.703357
where:
bonds (distance) C4'-P energy: -22.497
bonds (distance) P-C4' energy: -21.602
flat angles C4'-P-C4' energy: -21.948
flat angles P-C4'-P energy: -16.455
tors. eta vs tors. theta energy: -33.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -380.790586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.790586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.790586 (E_RNA)
where:
Base-Base interactions energy: -269.321
where: short stacking energy: -107.656
Base-Backbone interact. energy: -0.514
local terms energy: -110.956105
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -21.213
flat angles C4'-P-C4' energy: -23.142
flat angles P-C4'-P energy: -18.179
tors. eta vs tors. theta energy: -33.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -338.226818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.226818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.226818 (E_RNA)
where:
Base-Base interactions energy: -235.062
where: short stacking energy: -85.288
Base-Backbone interact. energy: -0.490
local terms energy: -102.674739
where:
bonds (distance) C4'-P energy: -18.309
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -23.264
flat angles P-C4'-P energy: -16.157
tors. eta vs tors. theta energy: -27.774
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: 6, replica: 8
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -300.365620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.365620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.365620 (E_RNA)
where:
Base-Base interactions energy: -202.663
where: short stacking energy: -84.135
Base-Backbone interact. energy: -0.213
local terms energy: -97.489689
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -20.960
flat angles C4'-P-C4' energy: -19.970
flat angles P-C4'-P energy: -16.785
tors. eta vs tors. theta energy: -22.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -250.912030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.912030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.912030 (E_RNA)
where:
Base-Base interactions energy: -169.108
where: short stacking energy: -56.741
Base-Backbone interact. energy: 0.847
local terms energy: -82.651394
where:
bonds (distance) C4'-P energy: -23.006
bonds (distance) P-C4' energy: -10.842
flat angles C4'-P-C4' energy: -21.595
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: -13.026
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: 7
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -125.514224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.514224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.514224 (E_RNA)
where:
Base-Base interactions energy: -61.804
where: short stacking energy: -43.576
Base-Backbone interact. energy: -0.524
local terms energy: -63.186448
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -20.895
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -14.420
tors. eta vs tors. theta energy: -1.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -160.504445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.504445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.504445 (E_RNA)
where:
Base-Base interactions energy: -84.780
where: short stacking energy: -46.746
Base-Backbone interact. energy: -0.312
local terms energy: -75.413142
where:
bonds (distance) C4'-P energy: -19.604
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -21.249
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -7.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -112.014046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.014046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.014046 (E_RNA)
where:
Base-Base interactions energy: -53.493
where: short stacking energy: -40.690
Base-Backbone interact. energy: 0.901
local terms energy: -59.422178
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -20.593
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -8.550
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: 10
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -392.277604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.277604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.277604 (E_RNA)
where:
Base-Base interactions energy: -275.468
where: short stacking energy: -114.739
Base-Backbone interact. energy: -0.109
local terms energy: -116.700755
where:
bonds (distance) C4'-P energy: -19.996
bonds (distance) P-C4' energy: -24.154
flat angles C4'-P-C4' energy: -22.573
flat angles P-C4'-P energy: -14.512
tors. eta vs tors. theta energy: -35.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -391.920703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.920703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.920703 (E_RNA)
where:
Base-Base interactions energy: -280.537
where: short stacking energy: -110.992
Base-Backbone interact. energy: -0.045
local terms energy: -111.339094
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -21.126
flat angles C4'-P-C4' energy: -22.023
flat angles P-C4'-P energy: -13.860
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: 3, replica: 9
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -390.229300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.229300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.229300 (E_RNA)
where:
Base-Base interactions energy: -269.549
where: short stacking energy: -108.135
Base-Backbone interact. energy: -0.157
local terms energy: -120.523578
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -22.812
flat angles C4'-P-C4' energy: -21.192
flat angles P-C4'-P energy: -19.866
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: 4, replica: 5
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -371.543730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.543730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.543730 (E_RNA)
where:
Base-Base interactions energy: -260.449
where: short stacking energy: -104.180
Base-Backbone interact. energy: -0.004
local terms energy: -111.089934
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -21.488
flat angles C4'-P-C4' energy: -19.801
flat angles P-C4'-P energy: -19.401
tors. eta vs tors. theta energy: -34.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -339.787304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.787304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.787304 (E_RNA)
where:
Base-Base interactions energy: -230.903
where: short stacking energy: -104.137
Base-Backbone interact. energy: -0.590
local terms energy: -108.295268
where:
bonds (distance) C4'-P energy: -20.739
bonds (distance) P-C4' energy: -21.307
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -31.717
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: 8
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -332.778480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.778480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.778480 (E_RNA)
where:
Base-Base interactions energy: -225.463
where: short stacking energy: -103.644
Base-Backbone interact. energy: -0.084
local terms energy: -107.231384
where:
bonds (distance) C4'-P energy: -20.347
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -20.159
flat angles P-C4'-P energy: -16.988
tors. eta vs tors. theta energy: -30.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -250.372536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.372536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.372536 (E_RNA)
where:
Base-Base interactions energy: -160.788
where: short stacking energy: -76.722
Base-Backbone interact. energy: -0.545
local terms energy: -89.038993
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -19.642
flat angles C4'-P-C4' energy: -21.351
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -21.780
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: 8, replica: 7
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -128.347836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.347836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.347836 (E_RNA)
where:
Base-Base interactions energy: -49.037
where: short stacking energy: -44.552
Base-Backbone interact. energy: -0.667
local terms energy: -78.644246
where:
bonds (distance) C4'-P energy: -18.821
bonds (distance) P-C4' energy: -19.680
flat angles C4'-P-C4' energy: -20.561
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -5.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -200.602947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.602947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.602947 (E_RNA)
where:
Base-Base interactions energy: -122.621
where: short stacking energy: -61.097
Base-Backbone interact. energy: -0.598
local terms energy: -77.383843
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -18.809
flat angles P-C4'-P energy: -6.059
tors. eta vs tors. theta energy: -14.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -129.504651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.504651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.504651 (E_RNA)
where:
Base-Base interactions energy: -63.333
where: short stacking energy: -56.706
Base-Backbone interact. energy: -0.193
local terms energy: -65.979334
where:
bonds (distance) C4'-P energy: -20.172
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -6.370
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: 1, replica: 10
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -392.948446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.948446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.948446 (E_RNA)
where:
Base-Base interactions energy: -274.957
where: short stacking energy: -111.329
Base-Backbone interact. energy: -0.003
local terms energy: -117.989324
where:
bonds (distance) C4'-P energy: -22.655
bonds (distance) P-C4' energy: -19.358
flat angles C4'-P-C4' energy: -25.256
flat angles P-C4'-P energy: -18.222
tors. eta vs tors. theta energy: -32.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -389.830501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.830501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.830501 (E_RNA)
where:
Base-Base interactions energy: -273.671
where: short stacking energy: -108.298
Base-Backbone interact. energy: -0.100
local terms energy: -116.059729
where:
bonds (distance) C4'-P energy: -22.201
bonds (distance) P-C4' energy: -22.756
flat angles C4'-P-C4' energy: -20.779
flat angles P-C4'-P energy: -17.572
tors. eta vs tors. theta energy: -32.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -381.741888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.741888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.741888 (E_RNA)
where:
Base-Base interactions energy: -275.610
where: short stacking energy: -107.507
Base-Backbone interact. energy: -0.124
local terms energy: -106.008577
where:
bonds (distance) C4'-P energy: -19.363
bonds (distance) P-C4' energy: -21.009
flat angles C4'-P-C4' energy: -21.561
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -31.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -383.630450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.630450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.630450 (E_RNA)
where:
Base-Base interactions energy: -267.607
where: short stacking energy: -110.100
Base-Backbone interact. energy: -0.005
local terms energy: -116.018413
where:
bonds (distance) C4'-P energy: -22.893
bonds (distance) P-C4' energy: -22.943
flat angles C4'-P-C4' energy: -18.393
flat angles P-C4'-P energy: -17.145
tors. eta vs tors. theta energy: -34.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -356.384240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.384240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.384240 (E_RNA)
where:
Base-Base interactions energy: -248.259
where: short stacking energy: -107.195
Base-Backbone interact. energy: -0.002
local terms energy: -108.123496
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -21.468
flat angles C4'-P-C4' energy: -21.330
flat angles P-C4'-P energy: -16.244
tors. eta vs tors. theta energy: -31.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -327.368788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.368788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.368788 (E_RNA)
where:
Base-Base interactions energy: -219.715
where: short stacking energy: -94.472
Base-Backbone interact. energy: -0.024
local terms energy: -107.629405
where:
bonds (distance) C4'-P energy: -21.886
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -23.945
flat angles P-C4'-P energy: -16.063
tors. eta vs tors. theta energy: -27.627
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: 3
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -254.440346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.440346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.440346 (E_RNA)
where:
Base-Base interactions energy: -172.651
where: short stacking energy: -66.383
Base-Backbone interact. energy: -0.290
local terms energy: -81.499181
where:
bonds (distance) C4'-P energy: -24.064
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -18.474
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -15.333
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: 8, replica: 4
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -210.439140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.439140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.439140 (E_RNA)
where:
Base-Base interactions energy: -131.870
where: short stacking energy: -56.214
Base-Backbone interact. energy: -0.765
local terms energy: -77.803874
where:
bonds (distance) C4'-P energy: -18.566
bonds (distance) P-C4' energy: -18.875
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -10.995
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: 9, replica: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -111.283536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.283536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.283536 (E_RNA)
where:
Base-Base interactions energy: -46.032
where: short stacking energy: -42.533
Base-Backbone interact. energy: -0.154
local terms energy: -65.097392
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -6.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -121.618486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.618486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.618486 (E_RNA)
where:
Base-Base interactions energy: -71.207
where: short stacking energy: -41.546
Base-Backbone interact. energy: 0.190
local terms energy: -50.600838
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -1.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -390.831176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.831176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.831176 (E_RNA)
where:
Base-Base interactions energy: -276.584
where: short stacking energy: -114.470
Base-Backbone interact. energy: 0.632
local terms energy: -114.879481
where:
bonds (distance) C4'-P energy: -19.640
bonds (distance) P-C4' energy: -24.375
flat angles C4'-P-C4' energy: -21.535
flat angles P-C4'-P energy: -15.001
tors. eta vs tors. theta energy: -34.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -383.144207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.144207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.144207 (E_RNA)
where:
Base-Base interactions energy: -268.476
where: short stacking energy: -107.397
Base-Backbone interact. energy: -0.001
local terms energy: -114.667723
where:
bonds (distance) C4'-P energy: -20.502
bonds (distance) P-C4' energy: -21.248
flat angles C4'-P-C4' energy: -21.366
flat angles P-C4'-P energy: -19.114
tors. eta vs tors. theta energy: -32.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -379.502556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.502556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.502556 (E_RNA)
where:
Base-Base interactions energy: -271.801
where: short stacking energy: -110.221
Base-Backbone interact. energy: -0.005
local terms energy: -107.696574
where:
bonds (distance) C4'-P energy: -21.520
bonds (distance) P-C4' energy: -24.296
flat angles C4'-P-C4' energy: -19.730
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -30.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -380.511772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.511772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.511772 (E_RNA)
where:
Base-Base interactions energy: -272.622
where: short stacking energy: -115.172
Base-Backbone interact. energy: -0.004
local terms energy: -107.885675
where:
bonds (distance) C4'-P energy: -18.740
bonds (distance) P-C4' energy: -23.282
flat angles C4'-P-C4' energy: -22.695
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -30.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -348.245876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.245876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.245876 (E_RNA)
where:
Base-Base interactions energy: -247.762
where: short stacking energy: -112.694
Base-Backbone interact. energy: -0.772
local terms energy: -99.711050
where:
bonds (distance) C4'-P energy: -18.463
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -19.975
flat angles P-C4'-P energy: -14.301
tors. eta vs tors. theta energy: -30.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -344.405268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.405268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.405268 (E_RNA)
where:
Base-Base interactions energy: -236.517
where: short stacking energy: -101.379
Base-Backbone interact. energy: -0.609
local terms energy: -107.279138
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -22.852
flat angles C4'-P-C4' energy: -21.895
flat angles P-C4'-P energy: -18.820
tors. eta vs tors. theta energy: -29.358
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: 3
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -280.347911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.347911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.347911 (E_RNA)
where:
Base-Base interactions energy: -188.268
where: short stacking energy: -83.450
Base-Backbone interact. energy: -0.023
local terms energy: -92.057246
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -28.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -191.907964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.907964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.907964 (E_RNA)
where:
Base-Base interactions energy: -131.711
where: short stacking energy: -60.504
Base-Backbone interact. energy: -0.153
local terms energy: -60.043480
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: -9.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -108.669220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.669220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.669220 (E_RNA)
where:
Base-Base interactions energy: -41.867
where: short stacking energy: -38.279
Base-Backbone interact. energy: -0.750
local terms energy: -66.052321
where:
bonds (distance) C4'-P energy: -19.431
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -10.233
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -7.584
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: 7
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -102.860929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.860929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.860929 (E_RNA)
where:
Base-Base interactions energy: -48.285
where: short stacking energy: -37.694
Base-Backbone interact. energy: 1.167
local terms energy: -55.743272
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: 1.799
tors. eta vs tors. theta energy: -4.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -390.026813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.026813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.026813 (E_RNA)
where:
Base-Base interactions energy: -273.019
where: short stacking energy: -112.355
Base-Backbone interact. energy: -0.003
local terms energy: -117.004548
where:
bonds (distance) C4'-P energy: -24.249
bonds (distance) P-C4' energy: -18.167
flat angles C4'-P-C4' energy: -21.847
flat angles P-C4'-P energy: -18.506
tors. eta vs tors. theta energy: -34.235
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: 2, replica: 5
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -383.135619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.135619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.135619 (E_RNA)
where:
Base-Base interactions energy: -272.532
where: short stacking energy: -108.180
Base-Backbone interact. energy: -0.099
local terms energy: -110.504199
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -23.289
flat angles P-C4'-P energy: -16.646
tors. eta vs tors. theta energy: -34.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -383.413947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.413947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.413947 (E_RNA)
where:
Base-Base interactions energy: -267.264
where: short stacking energy: -106.190
Base-Backbone interact. energy: -0.129
local terms energy: -116.021135
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -22.031
flat angles C4'-P-C4' energy: -24.991
flat angles P-C4'-P energy: -15.710
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: 9
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -372.082153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.082153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.082153 (E_RNA)
where:
Base-Base interactions energy: -258.437
where: short stacking energy: -100.704
Base-Backbone interact. energy: -0.546
local terms energy: -113.098611
where:
bonds (distance) C4'-P energy: -23.153
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -26.592
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: -33.547
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: 2
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -344.038771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.038771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.038771 (E_RNA)
where:
Base-Base interactions energy: -242.733
where: short stacking energy: -97.938
Base-Backbone interact. energy: -2.349
local terms energy: -98.956560
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -20.304
flat angles C4'-P-C4' energy: -19.564
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -30.544
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: 8
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -336.873254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.873254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.873254 (E_RNA)
where:
Base-Base interactions energy: -235.345
where: short stacking energy: -101.921
Base-Backbone interact. energy: -0.097
local terms energy: -101.431687
where:
bonds (distance) C4'-P energy: -19.499
bonds (distance) P-C4' energy: -16.267
flat angles C4'-P-C4' energy: -23.164
flat angles P-C4'-P energy: -15.521
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -270.596900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.596900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.596900 (E_RNA)
where:
Base-Base interactions energy: -177.076
where: short stacking energy: -78.853
Base-Backbone interact. energy: 0.559
local terms energy: -94.080103
where:
bonds (distance) C4'-P energy: -20.610
bonds (distance) P-C4' energy: -23.936
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -23.072
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: 4
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -171.645523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.645523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.645523 (E_RNA)
where:
Base-Base interactions energy: -104.612
where: short stacking energy: -43.375
Base-Backbone interact. energy: -0.366
local terms energy: -66.667169
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -22.003
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -3.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -107.200222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.200222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.200222 (E_RNA)
where:
Base-Base interactions energy: -37.539
where: short stacking energy: -32.216
Base-Backbone interact. energy: -0.000
local terms energy: -69.660804
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -21.514
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -2.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -112.672444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.672444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.672444 (E_RNA)
where:
Base-Base interactions energy: -41.871
where: short stacking energy: -31.140
Base-Backbone interact. energy: -0.624
local terms energy: -70.176859
where:
bonds (distance) C4'-P energy: -20.298
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -18.752
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: -7.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -386.513156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.513156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.513156 (E_RNA)
where:
Base-Base interactions energy: -273.343
where: short stacking energy: -109.378
Base-Backbone interact. energy: -0.038
local terms energy: -113.132944
where:
bonds (distance) C4'-P energy: -22.311
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -21.834
flat angles P-C4'-P energy: -17.641
tors. eta vs tors. theta energy: -33.511
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: 2, replica: 6
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -393.594813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.594813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.594813 (E_RNA)
where:
Base-Base interactions energy: -276.908
where: short stacking energy: -112.841
Base-Backbone interact. energy: -0.126
local terms energy: -116.560755
where:
bonds (distance) C4'-P energy: -21.811
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -24.476
flat angles P-C4'-P energy: -17.601
tors. eta vs tors. theta energy: -34.501
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: 9
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -386.201062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.201062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.201062 (E_RNA)
where:
Base-Base interactions energy: -271.716
where: short stacking energy: -104.708
Base-Backbone interact. energy: -0.015
local terms energy: -114.469881
where:
bonds (distance) C4'-P energy: -19.891
bonds (distance) P-C4' energy: -23.905
flat angles C4'-P-C4' energy: -24.643
flat angles P-C4'-P energy: -15.724
tors. eta vs tors. theta energy: -30.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -375.003315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.003315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.003315 (E_RNA)
where:
Base-Base interactions energy: -274.167
where: short stacking energy: -110.948
Base-Backbone interact. energy: -0.066
local terms energy: -100.770244
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -20.160
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -33.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -358.816877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.816877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.816877 (E_RNA)
where:
Base-Base interactions energy: -246.612
where: short stacking energy: -102.010
Base-Backbone interact. energy: -0.520
local terms energy: -111.684969
where:
bonds (distance) C4'-P energy: -19.530
bonds (distance) P-C4' energy: -20.815
flat angles C4'-P-C4' energy: -26.855
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -33.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -346.991014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.991014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.991014 (E_RNA)
where:
Base-Base interactions energy: -241.624
where: short stacking energy: -96.436
Base-Backbone interact. energy: -0.231
local terms energy: -105.136077
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -22.124
flat angles C4'-P-C4' energy: -23.119
flat angles P-C4'-P energy: -14.014
tors. eta vs tors. theta energy: -29.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -270.336466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.336466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.336466 (E_RNA)
where:
Base-Base interactions energy: -174.161
where: short stacking energy: -84.123
Base-Backbone interact. energy: -0.556
local terms energy: -95.620299
where:
bonds (distance) C4'-P energy: -21.471
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -20.857
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -23.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -105.009564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.009564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.009564 (E_RNA)
where:
Base-Base interactions energy: -37.034
where: short stacking energy: -33.428
Base-Backbone interact. energy: -0.042
local terms energy: -67.932779
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -18.614
flat angles C4'-P-C4' energy: -22.672
flat angles P-C4'-P energy: -14.973
tors. eta vs tors. theta energy: 2.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -102.413517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.413517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.413517 (E_RNA)
where:
Base-Base interactions energy: -31.577
where: short stacking energy: -29.269
Base-Backbone interact. energy: 0.049
local terms energy: -70.885402
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -4.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -113.962838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.962838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.962838 (E_RNA)
where:
Base-Base interactions energy: -33.691
where: short stacking energy: -27.771
Base-Backbone interact. energy: 0.128
local terms energy: -80.400353
where:
bonds (distance) C4'-P energy: -24.746
bonds (distance) P-C4' energy: -19.608
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -6.383
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: 1, replica: 5
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -395.929087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.929087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.929087 (E_RNA)
where:
Base-Base interactions energy: -278.165
where: short stacking energy: -113.733
Base-Backbone interact. energy: 0.305
local terms energy: -118.069409
where:
bonds (distance) C4'-P energy: -18.631
bonds (distance) P-C4' energy: -25.209
flat angles C4'-P-C4' energy: -24.297
flat angles P-C4'-P energy: -15.632
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: 2, replica: 9
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -385.774704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.774704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.774704 (E_RNA)
where:
Base-Base interactions energy: -276.654
where: short stacking energy: -107.654
Base-Backbone interact. energy: -0.001
local terms energy: -109.120229
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -21.942
flat angles C4'-P-C4' energy: -20.190
flat angles P-C4'-P energy: -21.655
tors. eta vs tors. theta energy: -30.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -384.093772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.093772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.093772 (E_RNA)
where:
Base-Base interactions energy: -278.181
where: short stacking energy: -114.874
Base-Backbone interact. energy: -0.003
local terms energy: -105.909292
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -20.621
flat angles C4'-P-C4' energy: -24.632
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -36.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -374.698798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.698798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.698798 (E_RNA)
where:
Base-Base interactions energy: -256.915
where: short stacking energy: -108.791
Base-Backbone interact. energy: -0.830
local terms energy: -116.954190
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -22.500
flat angles C4'-P-C4' energy: -23.700
flat angles P-C4'-P energy: -20.077
tors. eta vs tors. theta energy: -33.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -373.527485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.527485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.527485 (E_RNA)
where:
Base-Base interactions energy: -260.697
where: short stacking energy: -100.259
Base-Backbone interact. energy: -0.091
local terms energy: -112.739282
where:
bonds (distance) C4'-P energy: -22.669
bonds (distance) P-C4' energy: -19.607
flat angles C4'-P-C4' energy: -21.802
flat angles P-C4'-P energy: -17.601
tors. eta vs tors. theta energy: -31.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -305.092848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.092848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.092848 (E_RNA)
where:
Base-Base interactions energy: -206.352
where: short stacking energy: -85.256
Base-Backbone interact. energy: -0.119
local terms energy: -98.622099
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -20.556
flat angles C4'-P-C4' energy: -20.780
flat angles P-C4'-P energy: -13.928
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: 7, replica: 2
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -340.676911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.676911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.676911 (E_RNA)
where:
Base-Base interactions energy: -230.518
where: short stacking energy: -97.470
Base-Backbone interact. energy: -0.037
local terms energy: -110.122467
where:
bonds (distance) C4'-P energy: -21.960
bonds (distance) P-C4' energy: -22.338
flat angles C4'-P-C4' energy: -22.765
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -29.983
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: 4
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -105.548692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.548692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.548692 (E_RNA)
where:
Base-Base interactions energy: -45.628
where: short stacking energy: -43.267
Base-Backbone interact. energy: -0.283
local terms energy: -59.637567
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -0.593
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: 7
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -109.647867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.647867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.647867 (E_RNA)
where:
Base-Base interactions energy: -39.120
where: short stacking energy: -33.540
Base-Backbone interact. energy: -0.538
local terms energy: -69.990320
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -20.897
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -18.465
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: 10, replica: 1
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -108.386539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.386539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.386539 (E_RNA)
where:
Base-Base interactions energy: -43.536
where: short stacking energy: -37.374
Base-Backbone interact. energy: -0.134
local terms energy: -64.716735
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -21.723
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -6.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -394.542533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.542533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.542533 (E_RNA)
where:
Base-Base interactions energy: -273.319
where: short stacking energy: -112.213
Base-Backbone interact. energy: -0.321
local terms energy: -120.902089
where:
bonds (distance) C4'-P energy: -19.943
bonds (distance) P-C4' energy: -24.433
flat angles C4'-P-C4' energy: -25.970
flat angles P-C4'-P energy: -15.870
tors. eta vs tors. theta energy: -34.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -391.563066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.563066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.563066 (E_RNA)
where:
Base-Base interactions energy: -276.951
where: short stacking energy: -110.545
Base-Backbone interact. energy: -0.381
local terms energy: -114.230888
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -24.150
flat angles C4'-P-C4' energy: -25.242
flat angles P-C4'-P energy: -10.870
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: 3, replica: 10
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -383.179477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.179477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.179477 (E_RNA)
where:
Base-Base interactions energy: -274.086
where: short stacking energy: -113.615
Base-Backbone interact. energy: -0.104
local terms energy: -108.989950
where:
bonds (distance) C4'-P energy: -19.206
bonds (distance) P-C4' energy: -20.313
flat angles C4'-P-C4' energy: -24.278
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -35.499
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: 6
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -372.488087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.488087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.488087 (E_RNA)
where:
Base-Base interactions energy: -266.241
where: short stacking energy: -107.037
Base-Backbone interact. energy: -0.013
local terms energy: -106.233486
where:
bonds (distance) C4'-P energy: -19.827
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -22.552
flat angles P-C4'-P energy: -15.170
tors. eta vs tors. theta energy: -34.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -370.279848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.279848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.279848 (E_RNA)
where:
Base-Base interactions energy: -267.200
where: short stacking energy: -109.147
Base-Backbone interact. energy: -0.022
local terms energy: -103.057785
where:
bonds (distance) C4'-P energy: -17.634
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -17.639
flat angles P-C4'-P energy: -16.055
tors. eta vs tors. theta energy: -31.268
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: 6, replica: 3
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -306.994819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.994819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.994819 (E_RNA)
where:
Base-Base interactions energy: -199.036
where: short stacking energy: -97.905
Base-Backbone interact. energy: 1.561
local terms energy: -109.519402
where:
bonds (distance) C4'-P energy: -21.930
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -23.198
flat angles P-C4'-P energy: -16.642
tors. eta vs tors. theta energy: -29.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -325.624174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.624174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.624174 (E_RNA)
where:
Base-Base interactions energy: -224.080
where: short stacking energy: -106.667
Base-Backbone interact. energy: -0.039
local terms energy: -101.505125
where:
bonds (distance) C4'-P energy: -18.268
bonds (distance) P-C4' energy: -22.595
flat angles C4'-P-C4' energy: -20.095
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -29.367
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: 4
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -128.112447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.112447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.112447 (E_RNA)
where:
Base-Base interactions energy: -49.946
where: short stacking energy: -49.372
Base-Backbone interact. energy: -0.050
local terms energy: -78.116376
where:
bonds (distance) C4'-P energy: -20.460
bonds (distance) P-C4' energy: -20.462
flat angles C4'-P-C4' energy: -20.138
flat angles P-C4'-P energy: -8.505
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: 9, replica: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -139.323625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.323625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.323625 (E_RNA)
where:
Base-Base interactions energy: -64.024
where: short stacking energy: -49.073
Base-Backbone interact. energy: -0.109
local terms energy: -75.190340
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -12.434
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: 10, replica: 7
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -98.488861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.488861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.488861 (E_RNA)
where:
Base-Base interactions energy: -37.864
where: short stacking energy: -21.197
Base-Backbone interact. energy: -1.372
local terms energy: -59.252619
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -24.919
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: 7.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -389.764305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.764305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.764305 (E_RNA)
where:
Base-Base interactions energy: -270.719
where: short stacking energy: -112.174
Base-Backbone interact. energy: -0.586
local terms energy: -118.459570
where:
bonds (distance) C4'-P energy: -22.505
bonds (distance) P-C4' energy: -23.538
flat angles C4'-P-C4' energy: -24.718
flat angles P-C4'-P energy: -16.564
tors. eta vs tors. theta energy: -31.134
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: 10
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -387.447648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.447648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.447648 (E_RNA)
where:
Base-Base interactions energy: -271.100
where: short stacking energy: -113.101
Base-Backbone interact. energy: -0.135
local terms energy: -116.212236
where:
bonds (distance) C4'-P energy: -22.648
bonds (distance) P-C4' energy: -19.916
flat angles C4'-P-C4' energy: -24.786
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -36.845
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: 5
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -390.099380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.099380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.099380 (E_RNA)
where:
Base-Base interactions energy: -276.127
where: short stacking energy: -115.751
Base-Backbone interact. energy: 0.611
local terms energy: -114.582826
where:
bonds (distance) C4'-P energy: -21.856
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -24.454
flat angles P-C4'-P energy: -17.641
tors. eta vs tors. theta energy: -33.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -369.695419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.695419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.695419 (E_RNA)
where:
Base-Base interactions energy: -260.421
where: short stacking energy: -107.215
Base-Backbone interact. energy: -0.003
local terms energy: -109.271474
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -21.113
flat angles C4'-P-C4' energy: -24.541
flat angles P-C4'-P energy: -14.554
tors. eta vs tors. theta energy: -33.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -368.656840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.656840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.656840 (E_RNA)
where:
Base-Base interactions energy: -258.103
where: short stacking energy: -99.212
Base-Backbone interact. energy: -0.002
local terms energy: -110.551358
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -22.071
flat angles P-C4'-P energy: -20.538
tors. eta vs tors. theta energy: -30.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -341.661147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.661147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.661147 (E_RNA)
where:
Base-Base interactions energy: -234.093
where: short stacking energy: -99.853
Base-Backbone interact. energy: -0.043
local terms energy: -107.525729
where:
bonds (distance) C4'-P energy: -23.657
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -21.541
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -28.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -256.778781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.778781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.778781 (E_RNA)
where:
Base-Base interactions energy: -174.611
where: short stacking energy: -80.351
Base-Backbone interact. energy: -0.118
local terms energy: -82.049957
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -22.172
flat angles P-C4'-P energy: -7.327
tors. eta vs tors. theta energy: -21.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -112.753506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.753506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.753506 (E_RNA)
where:
Base-Base interactions energy: -47.772
where: short stacking energy: -27.499
Base-Backbone interact. energy: -0.479
local terms energy: -64.502712
where:
bonds (distance) C4'-P energy: -21.363
bonds (distance) P-C4' energy: -22.197
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: 4.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -111.941172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.941172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.941172 (E_RNA)
where:
Base-Base interactions energy: -44.707
where: short stacking energy: -41.699
Base-Backbone interact. energy: -0.500
local terms energy: -66.734278
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -18.318
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -7.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -114.176116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.176116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.176116 (E_RNA)
where:
Base-Base interactions energy: -41.363
where: short stacking energy: -41.475
Base-Backbone interact. energy: -0.186
local terms energy: -72.626704
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -18.750
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -8.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -398.123627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.123627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.123627 (E_RNA)
where:
Base-Base interactions energy: -286.489
where: short stacking energy: -114.390
Base-Backbone interact. energy: -0.132
local terms energy: -111.502504
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -21.084
flat angles C4'-P-C4' energy: -25.953
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -34.203
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: 9
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -386.205583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.205583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.205583 (E_RNA)
where:
Base-Base interactions energy: -272.621
where: short stacking energy: -109.408
Base-Backbone interact. energy: -0.635
local terms energy: -112.949865
where:
bonds (distance) C4'-P energy: -18.024
bonds (distance) P-C4' energy: -21.051
flat angles C4'-P-C4' energy: -21.469
flat angles P-C4'-P energy: -18.537
tors. eta vs tors. theta energy: -33.868
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: 5
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -386.888194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.888194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.888194 (E_RNA)
where:
Base-Base interactions energy: -276.182
where: short stacking energy: -118.324
Base-Backbone interact. energy: 0.577
local terms energy: -111.283100
where:
bonds (distance) C4'-P energy: -21.193
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -23.637
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -33.702
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: 8
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -374.822202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.822202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.822202 (E_RNA)
where:
Base-Base interactions energy: -266.683
where: short stacking energy: -107.429
Base-Backbone interact. energy: -0.513
local terms energy: -107.626090
where:
bonds (distance) C4'-P energy: -18.696
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -22.696
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -34.065
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: 5, replica: 6
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -368.563907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.563907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.563907 (E_RNA)
where:
Base-Base interactions energy: -260.843
where: short stacking energy: -102.785
Base-Backbone interact. energy: 0.277
local terms energy: -107.998019
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -20.713
flat angles C4'-P-C4' energy: -21.780
flat angles P-C4'-P energy: -18.302
tors. eta vs tors. theta energy: -32.641
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: 390
Temperature: 1.150000
Total energy: -321.639977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.639977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.639977 (E_RNA)
where:
Base-Base interactions energy: -212.851
where: short stacking energy: -87.634
Base-Backbone interact. energy: -0.053
local terms energy: -108.735616
where:
bonds (distance) C4'-P energy: -20.555
bonds (distance) P-C4' energy: -20.648
flat angles C4'-P-C4' energy: -22.015
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -28.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -285.498477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.498477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.498477 (E_RNA)
where:
Base-Base interactions energy: -192.980
where: short stacking energy: -82.351
Base-Backbone interact. energy: -0.731
local terms energy: -91.787518
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -22.022
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -21.544
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: 8, replica: 1
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -127.171434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.171434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.171434 (E_RNA)
where:
Base-Base interactions energy: -68.483
where: short stacking energy: -29.277
Base-Backbone interact. energy: -0.251
local terms energy: -58.437168
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -1.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -107.050395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.050395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.050395 (E_RNA)
where:
Base-Base interactions energy: -28.012
where: short stacking energy: -28.012
Base-Backbone interact. energy: -0.236
local terms energy: -78.801787
where:
bonds (distance) C4'-P energy: -23.572
bonds (distance) P-C4' energy: -21.312
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -3.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -108.393752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.393752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.393752 (E_RNA)
where:
Base-Base interactions energy: -37.543
where: short stacking energy: -37.543
Base-Backbone interact. energy: -0.330
local terms energy: -70.520154
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -18.252
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -15.639
tors. eta vs tors. theta energy: -3.876
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: 1, replica: 10
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -397.369229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.369229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.369229 (E_RNA)
where:
Base-Base interactions energy: -275.010
where: short stacking energy: -113.641
Base-Backbone interact. energy: -0.007
local terms energy: -122.351831
where:
bonds (distance) C4'-P energy: -21.703
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -25.249
flat angles P-C4'-P energy: -20.894
tors. eta vs tors. theta energy: -32.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -380.539157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.539157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.539157 (E_RNA)
where:
Base-Base interactions energy: -268.273
where: short stacking energy: -112.980
Base-Backbone interact. energy: -0.022
local terms energy: -112.244766
where:
bonds (distance) C4'-P energy: -19.679
bonds (distance) P-C4' energy: -21.660
flat angles C4'-P-C4' energy: -25.167
flat angles P-C4'-P energy: -15.865
tors. eta vs tors. theta energy: -29.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -381.681774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.681774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.681774 (E_RNA)
where:
Base-Base interactions energy: -264.170
where: short stacking energy: -107.334
Base-Backbone interact. energy: -0.011
local terms energy: -117.500919
where:
bonds (distance) C4'-P energy: -18.445
bonds (distance) P-C4' energy: -26.196
flat angles C4'-P-C4' energy: -23.471
flat angles P-C4'-P energy: -15.173
tors. eta vs tors. theta energy: -34.216
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: 8
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -381.702127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.702127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.702127 (E_RNA)
where:
Base-Base interactions energy: -270.772
where: short stacking energy: -112.482
Base-Backbone interact. energy: -0.222
local terms energy: -110.708121
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -20.708
flat angles C4'-P-C4' energy: -19.871
flat angles P-C4'-P energy: -18.634
tors. eta vs tors. theta energy: -33.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -367.081529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.081529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.081529 (E_RNA)
where:
Base-Base interactions energy: -257.410
where: short stacking energy: -107.970
Base-Backbone interact. energy: -0.468
local terms energy: -109.203611
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -24.487
flat angles C4'-P-C4' energy: -21.535
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -34.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -303.225434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.225434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.225434 (E_RNA)
where:
Base-Base interactions energy: -211.405
where: short stacking energy: -77.635
Base-Backbone interact. energy: -0.131
local terms energy: -91.689044
where:
bonds (distance) C4'-P energy: -18.913
bonds (distance) P-C4' energy: -20.280
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -20.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -278.988717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.988717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.988717 (E_RNA)
where:
Base-Base interactions energy: -179.706
where: short stacking energy: -81.732
Base-Backbone interact. energy: -0.222
local terms energy: -99.059975
where:
bonds (distance) C4'-P energy: -19.509
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -23.206
flat angles P-C4'-P energy: -16.554
tors. eta vs tors. theta energy: -23.250
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: 7
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -118.121702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.121702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.121702 (E_RNA)
where:
Base-Base interactions energy: -57.344
where: short stacking energy: -39.048
Base-Backbone interact. energy: -0.315
local terms energy: -60.463009
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -22.122
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -5.449
tors. eta vs tors. theta energy: 1.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -102.352658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.352658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.352658 (E_RNA)
where:
Base-Base interactions energy: -47.458
where: short stacking energy: -35.013
Base-Backbone interact. energy: 1.860
local terms energy: -56.753930
where:
bonds (distance) C4'-P energy: -18.548
bonds (distance) P-C4' energy: -11.987
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -3.492
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: 4
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -101.593546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.593546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.593546 (E_RNA)
where:
Base-Base interactions energy: -45.794
where: short stacking energy: -19.496
Base-Backbone interact. energy: 0.328
local terms energy: -56.127654
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -23.221
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -5.592
tors. eta vs tors. theta energy: 6.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -392.290404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.290404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.290404 (E_RNA)
where:
Base-Base interactions energy: -276.591
where: short stacking energy: -104.385
Base-Backbone interact. energy: -0.059
local terms energy: -115.640488
where:
bonds (distance) C4'-P energy: -19.837
bonds (distance) P-C4' energy: -23.778
flat angles C4'-P-C4' energy: -26.841
flat angles P-C4'-P energy: -16.266
tors. eta vs tors. theta energy: -28.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -388.521811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.521811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.521811 (E_RNA)
where:
Base-Base interactions energy: -270.691
where: short stacking energy: -117.270
Base-Backbone interact. energy: -0.211
local terms energy: -117.619650
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -25.280
flat angles C4'-P-C4' energy: -24.608
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -33.177
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: 392
Temperature: 1.000000
Total energy: -378.084560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.084560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.084560 (E_RNA)
where:
Base-Base interactions energy: -275.125
where: short stacking energy: -108.657
Base-Backbone interact. energy: -0.630
local terms energy: -102.329512
where:
bonds (distance) C4'-P energy: -20.257
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -20.911
flat angles P-C4'-P energy: -16.054
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: 4, replica: 9
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -376.471787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.471787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.471787 (E_RNA)
where:
Base-Base interactions energy: -267.123
where: short stacking energy: -101.325
Base-Backbone interact. energy: -0.011
local terms energy: -109.338306
where:
bonds (distance) C4'-P energy: -20.043
bonds (distance) P-C4' energy: -22.182
flat angles C4'-P-C4' energy: -20.672
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -33.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -378.933368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.933368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.933368 (E_RNA)
where:
Base-Base interactions energy: -259.430
where: short stacking energy: -99.666
Base-Backbone interact. energy: -0.790
local terms energy: -118.714020
where:
bonds (distance) C4'-P energy: -19.480
bonds (distance) P-C4' energy: -22.922
flat angles C4'-P-C4' energy: -23.597
flat angles P-C4'-P energy: -17.929
tors. eta vs tors. theta energy: -34.786
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: 2
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -313.176251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.176251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.176251 (E_RNA)
where:
Base-Base interactions energy: -224.542
where: short stacking energy: -83.315
Base-Backbone interact. energy: -0.295
local terms energy: -88.339040
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -21.589
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -19.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -254.081466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.081466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.081466 (E_RNA)
where:
Base-Base interactions energy: -166.409
where: short stacking energy: -83.797
Base-Backbone interact. energy: -0.037
local terms energy: -87.635554
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -22.519
flat angles C4'-P-C4' energy: -20.417
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -21.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -118.840423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.840423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.840423 (E_RNA)
where:
Base-Base interactions energy: -51.606
where: short stacking energy: -51.606
Base-Backbone interact. energy: 1.666
local terms energy: -68.900047
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -18.012
flat angles C4'-P-C4' energy: -22.061
flat angles P-C4'-P energy: -15.899
tors. eta vs tors. theta energy: -0.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -131.071565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.071565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.071565 (E_RNA)
where:
Base-Base interactions energy: -57.040
where: short stacking energy: -40.633
Base-Backbone interact. energy: 0.064
local terms energy: -74.095182
where:
bonds (distance) C4'-P energy: -17.951
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -20.885
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -8.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -95.837506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.837506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.837506 (E_RNA)
where:
Base-Base interactions energy: -36.750
where: short stacking energy: -36.750
Base-Backbone interact. energy: 0.970
local terms energy: -60.057743
where:
bonds (distance) C4'-P energy: -20.490
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: -4.308
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: 5
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -391.986480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.986480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.986480 (E_RNA)
where:
Base-Base interactions energy: -275.806
where: short stacking energy: -105.197
Base-Backbone interact. energy: -0.257
local terms energy: -115.923276
where:
bonds (distance) C4'-P energy: -20.334
bonds (distance) P-C4' energy: -23.095
flat angles C4'-P-C4' energy: -24.376
flat angles P-C4'-P energy: -17.801
tors. eta vs tors. theta energy: -30.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -388.193812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.193812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.193812 (E_RNA)
where:
Base-Base interactions energy: -272.222
where: short stacking energy: -112.297
Base-Backbone interact. energy: -0.089
local terms energy: -115.882926
where:
bonds (distance) C4'-P energy: -23.074
bonds (distance) P-C4' energy: -22.958
flat angles C4'-P-C4' energy: -25.077
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -34.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -378.229468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.229468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.229468 (E_RNA)
where:
Base-Base interactions energy: -268.695
where: short stacking energy: -104.392
Base-Backbone interact. energy: -0.509
local terms energy: -109.025472
where:
bonds (distance) C4'-P energy: -20.098
bonds (distance) P-C4' energy: -18.356
flat angles C4'-P-C4' energy: -25.769
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -31.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -374.619313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.619313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.619313 (E_RNA)
where:
Base-Base interactions energy: -272.849
where: short stacking energy: -110.680
Base-Backbone interact. energy: -0.006
local terms energy: -101.763958
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -23.415
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -34.057
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: 393
Temperature: 1.100000
Total energy: -379.095097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.095097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.095097 (E_RNA)
where:
Base-Base interactions energy: -267.588
where: short stacking energy: -109.068
Base-Backbone interact. energy: -0.010
local terms energy: -111.497539
where:
bonds (distance) C4'-P energy: -18.288
bonds (distance) P-C4' energy: -23.451
flat angles C4'-P-C4' energy: -24.358
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -32.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -326.568527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.568527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.568527 (E_RNA)
where:
Base-Base interactions energy: -227.226
where: short stacking energy: -99.477
Base-Backbone interact. energy: -0.106
local terms energy: -99.236364
where:
bonds (distance) C4'-P energy: -19.806
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -22.118
flat angles P-C4'-P energy: -15.389
tors. eta vs tors. theta energy: -24.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -313.377765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.377765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.377765 (E_RNA)
where:
Base-Base interactions energy: -207.506
where: short stacking energy: -87.651
Base-Backbone interact. energy: -0.120
local terms energy: -105.751986
where:
bonds (distance) C4'-P energy: -19.082
bonds (distance) P-C4' energy: -21.108
flat angles C4'-P-C4' energy: -22.022
flat angles P-C4'-P energy: -15.507
tors. eta vs tors. theta energy: -28.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -117.483125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.483125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.483125 (E_RNA)
where:
Base-Base interactions energy: -38.797
where: short stacking energy: -37.682
Base-Backbone interact. energy: -1.293
local terms energy: -77.392990
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -24.364
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -5.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -112.335028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.335028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.335028 (E_RNA)
where:
Base-Base interactions energy: -45.412
where: short stacking energy: -38.166
Base-Backbone interact. energy: -0.556
local terms energy: -66.366971
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -17.133
flat angles C4'-P-C4' energy: -7.354
flat angles P-C4'-P energy: -13.511
tors. eta vs tors. theta energy: -8.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -102.290565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.290565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.290565 (E_RNA)
where:
Base-Base interactions energy: -26.040
where: short stacking energy: -24.185
Base-Backbone interact. energy: -0.269
local terms energy: -75.980687
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -24.162
flat angles C4'-P-C4' energy: -21.191
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: 0.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -385.355733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.355733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.355733 (E_RNA)
where:
Base-Base interactions energy: -271.353
where: short stacking energy: -101.255
Base-Backbone interact. energy: -0.170
local terms energy: -113.833681
where:
bonds (distance) C4'-P energy: -21.294
bonds (distance) P-C4' energy: -22.575
flat angles C4'-P-C4' energy: -22.695
flat angles P-C4'-P energy: -17.225
tors. eta vs tors. theta energy: -30.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -389.899358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.899358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.899358 (E_RNA)
where:
Base-Base interactions energy: -271.371
where: short stacking energy: -113.103
Base-Backbone interact. energy: -0.108
local terms energy: -118.420723
where:
bonds (distance) C4'-P energy: -21.011
bonds (distance) P-C4' energy: -22.882
flat angles C4'-P-C4' energy: -24.683
flat angles P-C4'-P energy: -13.951
tors. eta vs tors. theta energy: -35.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -382.669074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.669074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.669074 (E_RNA)
where:
Base-Base interactions energy: -269.403
where: short stacking energy: -109.880
Base-Backbone interact. energy: -0.737
local terms energy: -112.529562
where:
bonds (distance) C4'-P energy: -24.859
bonds (distance) P-C4' energy: -20.186
flat angles C4'-P-C4' energy: -20.924
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -33.097
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: 8
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -373.979498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.979498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.979498 (E_RNA)
where:
Base-Base interactions energy: -262.550
where: short stacking energy: -104.980
Base-Backbone interact. energy: -0.048
local terms energy: -111.382104
where:
bonds (distance) C4'-P energy: -19.542
bonds (distance) P-C4' energy: -21.538
flat angles C4'-P-C4' energy: -23.953
flat angles P-C4'-P energy: -17.643
tors. eta vs tors. theta energy: -28.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -380.598213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.598213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.598213 (E_RNA)
where:
Base-Base interactions energy: -265.562
where: short stacking energy: -104.706
Base-Backbone interact. energy: -0.098
local terms energy: -114.938315
where:
bonds (distance) C4'-P energy: -24.232
bonds (distance) P-C4' energy: -20.078
flat angles C4'-P-C4' energy: -20.491
flat angles P-C4'-P energy: -14.697
tors. eta vs tors. theta energy: -35.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -339.421988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.421988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.421988 (E_RNA)
where:
Base-Base interactions energy: -242.338
where: short stacking energy: -100.133
Base-Backbone interact. energy: 0.687
local terms energy: -97.771206
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -18.962
flat angles C4'-P-C4' energy: -19.573
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -29.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -297.262169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.262169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.262169 (E_RNA)
where:
Base-Base interactions energy: -204.738
where: short stacking energy: -90.090
Base-Backbone interact. energy: -1.192
local terms energy: -91.332406
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -21.618
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: -29.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -113.139795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.139795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.139795 (E_RNA)
where:
Base-Base interactions energy: -36.634
where: short stacking energy: -24.919
Base-Backbone interact. energy: -0.634
local terms energy: -75.872620
where:
bonds (distance) C4'-P energy: -22.340
bonds (distance) P-C4' energy: -17.582
flat angles C4'-P-C4' energy: -21.013
flat angles P-C4'-P energy: -15.788
tors. eta vs tors. theta energy: 0.850
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: 1
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -107.112613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.112613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.112613 (E_RNA)
where:
Base-Base interactions energy: -37.313
where: short stacking energy: -30.391
Base-Backbone interact. energy: 0.739
local terms energy: -70.538312
where:
bonds (distance) C4'-P energy: -19.266
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -19.145
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -6.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -106.940017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.940017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.940017 (E_RNA)
where:
Base-Base interactions energy: -30.925
where: short stacking energy: -27.660
Base-Backbone interact. energy: 0.523
local terms energy: -76.538537
where:
bonds (distance) C4'-P energy: -20.030
bonds (distance) P-C4' energy: -19.366
flat angles C4'-P-C4' energy: -22.171
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -2.327
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: 5
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -391.718054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.718054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.718054 (E_RNA)
where:
Base-Base interactions energy: -281.095
where: short stacking energy: -118.993
Base-Backbone interact. energy: 0.224
local terms energy: -110.847755
where:
bonds (distance) C4'-P energy: -19.417
bonds (distance) P-C4' energy: -20.932
flat angles C4'-P-C4' energy: -24.110
flat angles P-C4'-P energy: -15.061
tors. eta vs tors. theta energy: -31.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -382.135366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.135366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.135366 (E_RNA)
where:
Base-Base interactions energy: -276.255
where: short stacking energy: -110.859
Base-Backbone interact. energy: 0.734
local terms energy: -106.614930
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -21.389
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -35.784
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: 3, replica: 6
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -377.835386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.835386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.835386 (E_RNA)
where:
Base-Base interactions energy: -274.333
where: short stacking energy: -110.647
Base-Backbone interact. energy: -0.079
local terms energy: -103.423215
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -23.408
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -36.735
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: 395
Temperature: 1.050000
Total energy: -369.502779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.502779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.502779 (E_RNA)
where:
Base-Base interactions energy: -264.989
where: short stacking energy: -105.469
Base-Backbone interact. energy: 0.777
local terms energy: -105.290607
where:
bonds (distance) C4'-P energy: -19.577
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -23.329
flat angles P-C4'-P energy: -13.378
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: 5, replica: 9
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -375.004032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.004032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.004032 (E_RNA)
where:
Base-Base interactions energy: -263.240
where: short stacking energy: -105.268
Base-Backbone interact. energy: -0.001
local terms energy: -111.763180
where:
bonds (distance) C4'-P energy: -21.554
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -25.275
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -33.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -357.127749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.127749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.127749 (E_RNA)
where:
Base-Base interactions energy: -261.042
where: short stacking energy: -107.969
Base-Backbone interact. energy: -0.126
local terms energy: -95.959270
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -17.984
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -15.633
tors. eta vs tors. theta energy: -31.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -270.827179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.827179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.827179 (E_RNA)
where:
Base-Base interactions energy: -185.105
where: short stacking energy: -79.143
Base-Backbone interact. energy: -1.063
local terms energy: -84.659198
where:
bonds (distance) C4'-P energy: -18.408
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -18.714
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -23.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -129.936397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.936397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.936397 (E_RNA)
where:
Base-Base interactions energy: -51.023
where: short stacking energy: -40.881
Base-Backbone interact. energy: -0.696
local terms energy: -78.216930
where:
bonds (distance) C4'-P energy: -21.976
bonds (distance) P-C4' energy: -19.660
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -13.700
tors. eta vs tors. theta energy: -3.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -106.290417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.290417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.290417 (E_RNA)
where:
Base-Base interactions energy: -47.590
where: short stacking energy: -25.013
Base-Backbone interact. energy: 0.950
local terms energy: -59.650494
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -20.537
flat angles C4'-P-C4' energy: -22.236
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: 7.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -114.189630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.189630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.189630 (E_RNA)
where:
Base-Base interactions energy: -58.433
where: short stacking energy: -48.237
Base-Backbone interact. energy: -0.189
local terms energy: -55.568151
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -3.446
tors. eta vs tors. theta energy: -9.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -392.936103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.936103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.936103 (E_RNA)
where:
Base-Base interactions energy: -270.195
where: short stacking energy: -111.563
Base-Backbone interact. energy: -0.090
local terms energy: -122.651739
where:
bonds (distance) C4'-P energy: -23.392
bonds (distance) P-C4' energy: -22.781
flat angles C4'-P-C4' energy: -24.039
flat angles P-C4'-P energy: -18.177
tors. eta vs tors. theta energy: -34.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -383.811021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.811021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.811021 (E_RNA)
where:
Base-Base interactions energy: -268.472
where: short stacking energy: -100.878
Base-Backbone interact. energy: -0.016
local terms energy: -115.322972
where:
bonds (distance) C4'-P energy: -23.918
bonds (distance) P-C4' energy: -23.670
flat angles C4'-P-C4' energy: -19.494
flat angles P-C4'-P energy: -17.024
tors. eta vs tors. theta energy: -31.218
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: 3, replica: 6
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -381.916314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.916314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.916314 (E_RNA)
where:
Base-Base interactions energy: -267.967
where: short stacking energy: -108.903
Base-Backbone interact. energy: -0.090
local terms energy: -113.859210
where:
bonds (distance) C4'-P energy: -21.316
bonds (distance) P-C4' energy: -22.236
flat angles C4'-P-C4' energy: -22.109
flat angles P-C4'-P energy: -16.249
tors. eta vs tors. theta energy: -31.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -373.445380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.445380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.445380 (E_RNA)
where:
Base-Base interactions energy: -273.460
where: short stacking energy: -98.983
Base-Backbone interact. energy: -0.500
local terms energy: -99.485060
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -22.808
flat angles P-C4'-P energy: -17.026
tors. eta vs tors. theta energy: -27.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -369.413320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.413320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.413320 (E_RNA)
where:
Base-Base interactions energy: -263.767
where: short stacking energy: -105.747
Base-Backbone interact. energy: 1.571
local terms energy: -107.217000
where:
bonds (distance) C4'-P energy: -20.921
bonds (distance) P-C4' energy: -18.362
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -16.427
tors. eta vs tors. theta energy: -31.308
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: 9
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -355.709718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.709718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.709718 (E_RNA)
where:
Base-Base interactions energy: -247.832
where: short stacking energy: -104.374
Base-Backbone interact. energy: -0.121
local terms energy: -107.756501
where:
bonds (distance) C4'-P energy: -21.640
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -20.921
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -31.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -301.760265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.760265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.760265 (E_RNA)
where:
Base-Base interactions energy: -205.123
where: short stacking energy: -89.042
Base-Backbone interact. energy: -0.108
local terms energy: -96.529205
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -20.487
flat angles C4'-P-C4' energy: -20.388
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -26.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -117.247242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.247242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.247242 (E_RNA)
where:
Base-Base interactions energy: -46.502
where: short stacking energy: -35.290
Base-Backbone interact. energy: -0.824
local terms energy: -69.920950
where:
bonds (distance) C4'-P energy: -20.042
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -19.589
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -2.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -118.726769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.726769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.726769 (E_RNA)
where:
Base-Base interactions energy: -39.908
where: short stacking energy: -27.429
Base-Backbone interact. energy: -0.275
local terms energy: -78.543107
where:
bonds (distance) C4'-P energy: -19.757
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -19.585
flat angles P-C4'-P energy: -15.977
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: 10, replica: 7
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -110.353053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.353053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.353053 (E_RNA)
where:
Base-Base interactions energy: -50.506
where: short stacking energy: -37.225
Base-Backbone interact. energy: -0.526
local terms energy: -59.320648
where:
bonds (distance) C4'-P energy: -22.270
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -4.998
tors. eta vs tors. theta energy: -1.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -391.203062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.203062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.203062 (E_RNA)
where:
Base-Base interactions energy: -271.208
where: short stacking energy: -106.998
Base-Backbone interact. energy: -0.009
local terms energy: -119.985424
where:
bonds (distance) C4'-P energy: -23.496
bonds (distance) P-C4' energy: -24.622
flat angles C4'-P-C4' energy: -23.241
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -35.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -388.542449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.542449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.542449 (E_RNA)
where:
Base-Base interactions energy: -275.865
where: short stacking energy: -110.603
Base-Backbone interact. energy: -0.396
local terms energy: -112.281626
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -22.543
flat angles C4'-P-C4' energy: -24.621
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -36.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -385.246948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.246948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.246948 (E_RNA)
where:
Base-Base interactions energy: -276.158
where: short stacking energy: -106.549
Base-Backbone interact. energy: 0.414
local terms energy: -109.502910
where:
bonds (distance) C4'-P energy: -19.715
bonds (distance) P-C4' energy: -21.016
flat angles C4'-P-C4' energy: -24.559
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -31.926
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: 2
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -376.563651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.563651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.563651 (E_RNA)
where:
Base-Base interactions energy: -271.289
where: short stacking energy: -109.720
Base-Backbone interact. energy: -0.084
local terms energy: -105.189861
where:
bonds (distance) C4'-P energy: -18.312
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -18.392
flat angles P-C4'-P energy: -16.195
tors. eta vs tors. theta energy: -33.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -373.538381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.538381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.538381 (E_RNA)
where:
Base-Base interactions energy: -267.280
where: short stacking energy: -107.517
Base-Backbone interact. energy: -0.619
local terms energy: -105.638958
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -19.053
flat angles C4'-P-C4' energy: -22.860
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -32.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -362.017365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.017365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.017365 (E_RNA)
where:
Base-Base interactions energy: -259.279
where: short stacking energy: -104.081
Base-Backbone interact. energy: -0.213
local terms energy: -102.525299
where:
bonds (distance) C4'-P energy: -19.280
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -23.717
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -31.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -289.958140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.958140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.958140 (E_RNA)
where:
Base-Base interactions energy: -195.669
where: short stacking energy: -84.422
Base-Backbone interact. energy: -0.411
local terms energy: -93.878029
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -18.430
flat angles C4'-P-C4' energy: -24.725
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -26.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -122.587406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.587406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.587406 (E_RNA)
where:
Base-Base interactions energy: -48.295
where: short stacking energy: -37.703
Base-Backbone interact. energy: -0.351
local terms energy: -73.941428
where:
bonds (distance) C4'-P energy: -18.234
bonds (distance) P-C4' energy: -20.296
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -5.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -108.988680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.988680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.988680 (E_RNA)
where:
Base-Base interactions energy: -44.614
where: short stacking energy: -26.271
Base-Backbone interact. energy: 1.761
local terms energy: -66.136174
where:
bonds (distance) C4'-P energy: -23.521
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: 6.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -91.536125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.536125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.536125 (E_RNA)
where:
Base-Base interactions energy: -43.147
where: short stacking energy: -33.794
Base-Backbone interact. energy: -0.052
local terms energy: -48.336611
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -8.551
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: 1.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -395.302988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.302988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.302988 (E_RNA)
where:
Base-Base interactions energy: -281.889
where: short stacking energy: -113.463
Base-Backbone interact. energy: -0.101
local terms energy: -113.313137
where:
bonds (distance) C4'-P energy: -20.753
bonds (distance) P-C4' energy: -20.889
flat angles C4'-P-C4' energy: -21.614
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -36.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -385.387383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.387383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.387383 (E_RNA)
where:
Base-Base interactions energy: -266.903
where: short stacking energy: -108.348
Base-Backbone interact. energy: -0.332
local terms energy: -118.152323
where:
bonds (distance) C4'-P energy: -21.795
bonds (distance) P-C4' energy: -20.664
flat angles C4'-P-C4' energy: -22.204
flat angles P-C4'-P energy: -19.979
tors. eta vs tors. theta energy: -33.511
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: 3, replica: 2
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -390.912651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.912651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.912651 (E_RNA)
where:
Base-Base interactions energy: -279.073
where: short stacking energy: -110.741
Base-Backbone interact. energy: -0.167
local terms energy: -111.672458
where:
bonds (distance) C4'-P energy: -19.965
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -23.244
flat angles P-C4'-P energy: -13.491
tors. eta vs tors. theta energy: -35.069
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: 398
Temperature: 1.050000
Total energy: -391.014912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.014912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.014912 (E_RNA)
where:
Base-Base interactions energy: -274.723
where: short stacking energy: -111.270
Base-Backbone interact. energy: -0.021
local terms energy: -116.271153
where:
bonds (distance) C4'-P energy: -21.434
bonds (distance) P-C4' energy: -21.751
flat angles C4'-P-C4' energy: -21.671
flat angles P-C4'-P energy: -18.056
tors. eta vs tors. theta energy: -33.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -369.312854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.312854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.312854 (E_RNA)
where:
Base-Base interactions energy: -257.071
where: short stacking energy: -95.896
Base-Backbone interact. energy: -0.093
local terms energy: -112.149163
where:
bonds (distance) C4'-P energy: -20.101
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -25.366
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -32.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -367.956719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.956719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.956719 (E_RNA)
where:
Base-Base interactions energy: -260.256
where: short stacking energy: -99.502
Base-Backbone interact. energy: -0.234
local terms energy: -107.465984
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -23.018
flat angles C4'-P-C4' energy: -22.017
flat angles P-C4'-P energy: -19.040
tors. eta vs tors. theta energy: -27.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -284.403066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.403066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.403066 (E_RNA)
where:
Base-Base interactions energy: -189.200
where: short stacking energy: -80.399
Base-Backbone interact. energy: -0.250
local terms energy: -94.952728
where:
bonds (distance) C4'-P energy: -20.688
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -22.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -118.691942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.691942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.691942 (E_RNA)
where:
Base-Base interactions energy: -53.936
where: short stacking energy: -40.279
Base-Backbone interact. energy: -0.046
local terms energy: -64.709701
where:
bonds (distance) C4'-P energy: -20.122
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -2.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -125.567938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.567938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.567938 (E_RNA)
where:
Base-Base interactions energy: -50.492
where: short stacking energy: -40.901
Base-Backbone interact. energy: -0.057
local terms energy: -75.018983
where:
bonds (distance) C4'-P energy: -19.214
bonds (distance) P-C4' energy: -20.624
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -8.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -117.682381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.682381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.682381 (E_RNA)
where:
Base-Base interactions energy: -55.267
where: short stacking energy: -32.569
Base-Backbone interact. energy: -0.209
local terms energy: -62.206073
where:
bonds (distance) C4'-P energy: -17.902
bonds (distance) P-C4' energy: -22.265
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -9.672
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: 1, replica: 10
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -395.747342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.747342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.747342 (E_RNA)
where:
Base-Base interactions energy: -278.992
where: short stacking energy: -111.680
Base-Backbone interact. energy: -0.099
local terms energy: -116.656381
where:
bonds (distance) C4'-P energy: -18.594
bonds (distance) P-C4' energy: -22.053
flat angles C4'-P-C4' energy: -24.506
flat angles P-C4'-P energy: -17.357
tors. eta vs tors. theta energy: -34.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -388.254670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.254670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.254670 (E_RNA)
where:
Base-Base interactions energy: -277.077
where: short stacking energy: -113.344
Base-Backbone interact. energy: -0.096
local terms energy: -111.081088
where:
bonds (distance) C4'-P energy: -19.439
bonds (distance) P-C4' energy: -21.800
flat angles C4'-P-C4' energy: -23.224
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -33.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -378.139151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.139151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.139151 (E_RNA)
where:
Base-Base interactions energy: -265.417
where: short stacking energy: -108.948
Base-Backbone interact. energy: -0.085
local terms energy: -112.636658
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -27.291
flat angles P-C4'-P energy: -16.509
tors. eta vs tors. theta energy: -34.063
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: 5
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -366.871295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.871295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.871295 (E_RNA)
where:
Base-Base interactions energy: -257.499
where: short stacking energy: -103.350
Base-Backbone interact. energy: -0.047
local terms energy: -109.324832
where:
bonds (distance) C4'-P energy: -19.799
bonds (distance) P-C4' energy: -22.728
flat angles C4'-P-C4' energy: -19.818
flat angles P-C4'-P energy: -16.326
tors. eta vs tors. theta energy: -30.654
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: 5, replica: 9
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -365.796550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.796550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.796550 (E_RNA)
where:
Base-Base interactions energy: -252.545
where: short stacking energy: -100.429
Base-Backbone interact. energy: -0.653
local terms energy: -112.597864
where:
bonds (distance) C4'-P energy: -22.849
bonds (distance) P-C4' energy: -21.884
flat angles C4'-P-C4' energy: -22.896
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -31.618
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: 6, replica: 8
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -360.773125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.773125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.773125 (E_RNA)
where:
Base-Base interactions energy: -251.918
where: short stacking energy: -99.252
Base-Backbone interact. energy: -0.072
local terms energy: -108.783991
where:
bonds (distance) C4'-P energy: -19.568
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -24.536
flat angles P-C4'-P energy: -17.160
tors. eta vs tors. theta energy: -32.186
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: 3
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -274.043540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.043540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.043540 (E_RNA)
where:
Base-Base interactions energy: -180.589
where: short stacking energy: -80.059
Base-Backbone interact. energy: -0.062
local terms energy: -93.392032
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -19.320
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -27.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -107.560150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.560150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.560150 (E_RNA)
where:
Base-Base interactions energy: -31.797
where: short stacking energy: -27.761
Base-Backbone interact. energy: -0.095
local terms energy: -75.668277
where:
bonds (distance) C4'-P energy: -22.743
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -22.961
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: 1.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -105.813400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.813400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.813400 (E_RNA)
where:
Base-Base interactions energy: -41.925
where: short stacking energy: -32.212
Base-Backbone interact. energy: -0.542
local terms energy: -63.345928
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -19.100
flat angles P-C4'-P energy: -7.198
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: 10, replica: 7
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -113.791507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.791507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.791507 (E_RNA)
where:
Base-Base interactions energy: -52.873
where: short stacking energy: -30.344
Base-Backbone interact. energy: -0.351
local terms energy: -60.567491
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: 0.450
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: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -392.244284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.244284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.244284 (E_RNA)
where:
Base-Base interactions energy: -280.463
where: short stacking energy: -115.456
Base-Backbone interact. energy: -0.731
local terms energy: -111.050254
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -23.240
flat angles C4'-P-C4' energy: -23.547
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -33.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -382.941886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.941886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.941886 (E_RNA)
where:
Base-Base interactions energy: -273.290
where: short stacking energy: -108.814
Base-Backbone interact. energy: -0.412
local terms energy: -109.239936
where:
bonds (distance) C4'-P energy: -17.508
bonds (distance) P-C4' energy: -19.881
flat angles C4'-P-C4' energy: -22.855
flat angles P-C4'-P energy: -17.804
tors. eta vs tors. theta energy: -31.192
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: 6
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -383.440375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.440375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.440375 (E_RNA)
where:
Base-Base interactions energy: -266.073
where: short stacking energy: -111.761
Base-Backbone interact. energy: -0.345
local terms energy: -117.022178
where:
bonds (distance) C4'-P energy: -21.240
bonds (distance) P-C4' energy: -19.652
flat angles C4'-P-C4' energy: -26.022
flat angles P-C4'-P energy: -14.479
tors. eta vs tors. theta energy: -35.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -380.566079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.566079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.566079 (E_RNA)
where:
Base-Base interactions energy: -261.213
where: short stacking energy: -107.519
Base-Backbone interact. energy: -0.191
local terms energy: -119.161946
where:
bonds (distance) C4'-P energy: -23.190
bonds (distance) P-C4' energy: -20.004
flat angles C4'-P-C4' energy: -21.717
flat angles P-C4'-P energy: -20.440
tors. eta vs tors. theta energy: -33.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -370.308079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.308079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.308079 (E_RNA)
where:
Base-Base interactions energy: -263.809
where: short stacking energy: -106.623
Base-Backbone interact. energy: -0.068
local terms energy: -106.431164
where:
bonds (distance) C4'-P energy: -22.763
bonds (distance) P-C4' energy: -22.788
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -33.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -369.261355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.261355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.261355 (E_RNA)
where:
Base-Base interactions energy: -254.969
where: short stacking energy: -103.408
Base-Backbone interact. energy: -0.370
local terms energy: -113.922375
where:
bonds (distance) C4'-P energy: -20.941
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -22.485
flat angles P-C4'-P energy: -16.295
tors. eta vs tors. theta energy: -32.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -253.338038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.338038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.338038 (E_RNA)
where:
Base-Base interactions energy: -175.453
where: short stacking energy: -74.486
Base-Backbone interact. energy: 0.496
local terms energy: -78.380767
where:
bonds (distance) C4'-P energy: -19.943
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -19.326
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -16.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -114.100822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.100822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.100822 (E_RNA)
where:
Base-Base interactions energy: -42.489
where: short stacking energy: -33.270
Base-Backbone interact. energy: -0.724
local terms energy: -70.888174
where:
bonds (distance) C4'-P energy: -22.253
bonds (distance) P-C4' energy: -19.329
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: -2.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -110.811294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.811294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.811294 (E_RNA)
where:
Base-Base interactions energy: -50.141
where: short stacking energy: -42.184
Base-Backbone interact. energy: -0.520
local terms energy: -60.149998
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -21.703
flat angles C4'-P-C4' energy: -17.836
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: 4.217
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: 4
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -110.241589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.241589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.241589 (E_RNA)
where:
Base-Base interactions energy: -36.251
where: short stacking energy: -32.230
Base-Backbone interact. energy: -0.070
local terms energy: -73.920659
where:
bonds (distance) C4'-P energy: -20.237
bonds (distance) P-C4' energy: -21.111
flat angles C4'-P-C4' energy: -21.552
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -0.229
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: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -398.348187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.348187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.348187 (E_RNA)
where:
Base-Base interactions energy: -272.643
where: short stacking energy: -112.098
Base-Backbone interact. energy: -0.001
local terms energy: -125.703651
where:
bonds (distance) C4'-P energy: -21.610
bonds (distance) P-C4' energy: -26.122
flat angles C4'-P-C4' energy: -24.024
flat angles P-C4'-P energy: -17.385
tors. eta vs tors. theta energy: -36.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -382.522918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.522918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.522918 (E_RNA)
where:
Base-Base interactions energy: -269.065
where: short stacking energy: -106.580
Base-Backbone interact. energy: -0.488
local terms energy: -112.969610
where:
bonds (distance) C4'-P energy: -21.568
bonds (distance) P-C4' energy: -19.484
flat angles C4'-P-C4' energy: -24.009
flat angles P-C4'-P energy: -16.072
tors. eta vs tors. theta energy: -31.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -379.014593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.014593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.014593 (E_RNA)
where:
Base-Base interactions energy: -260.482
where: short stacking energy: -103.751
Base-Backbone interact. energy: -0.179
local terms energy: -118.353574
where:
bonds (distance) C4'-P energy: -20.180
bonds (distance) P-C4' energy: -25.709
flat angles C4'-P-C4' energy: -21.929
flat angles P-C4'-P energy: -17.587
tors. eta vs tors. theta energy: -32.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -377.223972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.223972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.223972 (E_RNA)
where:
Base-Base interactions energy: -258.613
where: short stacking energy: -108.446
Base-Backbone interact. energy: -0.030
local terms energy: -118.580654
where:
bonds (distance) C4'-P energy: -22.986
bonds (distance) P-C4' energy: -22.402
flat angles C4'-P-C4' energy: -23.752
flat angles P-C4'-P energy: -17.857
tors. eta vs tors. theta energy: -31.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -368.291974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.291974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.291974 (E_RNA)
where:
Base-Base interactions energy: -260.283
where: short stacking energy: -104.406
Base-Backbone interact. energy: -0.378
local terms energy: -107.631406
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -22.471
flat angles C4'-P-C4' energy: -20.322
flat angles P-C4'-P energy: -17.285
tors. eta vs tors. theta energy: -32.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -364.187840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.187840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.187840 (E_RNA)
where:
Base-Base interactions energy: -253.346
where: short stacking energy: -106.513
Base-Backbone interact. energy: -0.104
local terms energy: -110.737263
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -25.205
flat angles C4'-P-C4' energy: -22.179
flat angles P-C4'-P energy: -15.561
tors. eta vs tors. theta energy: -32.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -244.493337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.493337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.493337 (E_RNA)
where:
Base-Base interactions energy: -157.467
where: short stacking energy: -74.875
Base-Backbone interact. energy: -0.810
local terms energy: -86.216259
where:
bonds (distance) C4'-P energy: -20.491
bonds (distance) P-C4' energy: -20.255
flat angles C4'-P-C4' energy: -18.598
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -13.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -122.509185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.509185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.509185 (E_RNA)
where:
Base-Base interactions energy: -55.079
where: short stacking energy: -44.181
Base-Backbone interact. energy: -0.105
local terms energy: -67.325839
where:
bonds (distance) C4'-P energy: -7.498
bonds (distance) P-C4' energy: -21.673
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -9.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -107.632202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.632202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.632202 (E_RNA)
where:
Base-Base interactions energy: -43.345
where: short stacking energy: -38.924
Base-Backbone interact. energy: -0.148
local terms energy: -64.139681
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -7.476
flat angles P-C4'-P energy: -16.477
tors. eta vs tors. theta energy: -3.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -109.739266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.739266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.739266 (E_RNA)
where:
Base-Base interactions energy: -41.439
where: short stacking energy: -30.092
Base-Backbone interact. energy: -0.434
local terms energy: -67.866113
where:
bonds (distance) C4'-P energy: -19.931
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -7.185
tors. eta vs tors. theta energy: -4.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -395.809422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.809422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.809422 (E_RNA)
where:
Base-Base interactions energy: -277.644
where: short stacking energy: -110.137
Base-Backbone interact. energy: -0.032
local terms energy: -118.133548
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -21.159
flat angles C4'-P-C4' energy: -26.105
flat angles P-C4'-P energy: -17.670
tors. eta vs tors. theta energy: -37.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -388.108641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.108641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.108641 (E_RNA)
where:
Base-Base interactions energy: -272.047
where: short stacking energy: -107.005
Base-Backbone interact. energy: -0.067
local terms energy: -115.994431
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -22.168
flat angles C4'-P-C4' energy: -23.765
flat angles P-C4'-P energy: -14.560
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: 3, replica: 6
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -376.701116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.701116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.701116 (E_RNA)
where:
Base-Base interactions energy: -274.907
where: short stacking energy: -107.478
Base-Backbone interact. energy: -0.017
local terms energy: -101.777337
where:
bonds (distance) C4'-P energy: -19.088
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -20.547
flat angles P-C4'-P energy: -17.842
tors. eta vs tors. theta energy: -28.754
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: 4, replica: 5
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -368.097995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.097995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.097995 (E_RNA)
where:
Base-Base interactions energy: -261.993
where: short stacking energy: -102.234
Base-Backbone interact. energy: -0.011
local terms energy: -106.093442
where:
bonds (distance) C4'-P energy: -17.467
bonds (distance) P-C4' energy: -21.327
flat angles C4'-P-C4' energy: -20.176
flat angles P-C4'-P energy: -15.764
tors. eta vs tors. theta energy: -31.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -386.503200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.503200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.503200 (E_RNA)
where:
Base-Base interactions energy: -271.888
where: short stacking energy: -99.634
Base-Backbone interact. energy: -0.046
local terms energy: -114.569558
where:
bonds (distance) C4'-P energy: -20.110
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -22.691
flat angles P-C4'-P energy: -19.375
tors. eta vs tors. theta energy: -33.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -363.754013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.754013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.754013 (E_RNA)
where:
Base-Base interactions energy: -260.019
where: short stacking energy: -100.678
Base-Backbone interact. energy: -0.005
local terms energy: -103.730357
where:
bonds (distance) C4'-P energy: -20.982
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -19.761
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -33.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -250.710777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.710777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.710777 (E_RNA)
where:
Base-Base interactions energy: -157.595
where: short stacking energy: -64.479
Base-Backbone interact. energy: -0.162
local terms energy: -92.953503
where:
bonds (distance) C4'-P energy: -19.512
bonds (distance) P-C4' energy: -21.290
flat angles C4'-P-C4' energy: -21.310
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -18.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -129.537648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.537648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.537648 (E_RNA)
where:
Base-Base interactions energy: -69.430
where: short stacking energy: -30.179
Base-Backbone interact. energy: -0.093
local terms energy: -60.014393
where:
bonds (distance) C4'-P energy: -6.629
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -20.157
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -4.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -114.525255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.525255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.525255 (E_RNA)
where:
Base-Base interactions energy: -36.599
where: short stacking energy: -34.528
Base-Backbone interact. energy: -0.136
local terms energy: -77.789475
where:
bonds (distance) C4'-P energy: -22.588
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -19.127
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -0.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -104.395845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.395845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.395845 (E_RNA)
where:
Base-Base interactions energy: -36.223
where: short stacking energy: -36.223
Base-Backbone interact. energy: -0.291
local terms energy: -67.881887
where:
bonds (distance) C4'-P energy: -19.798
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -19.361
flat angles P-C4'-P energy: -15.117
tors. eta vs tors. theta energy: 1.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -390.229697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.229697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.229697 (E_RNA)
where:
Base-Base interactions energy: -272.775
where: short stacking energy: -113.241
Base-Backbone interact. energy: -0.055
local terms energy: -117.399614
where:
bonds (distance) C4'-P energy: -20.447
bonds (distance) P-C4' energy: -18.859
flat angles C4'-P-C4' energy: -26.047
flat angles P-C4'-P energy: -19.219
tors. eta vs tors. theta energy: -32.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -393.366418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.366418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.366418 (E_RNA)
where:
Base-Base interactions energy: -279.282
where: short stacking energy: -115.871
Base-Backbone interact. energy: -0.020
local terms energy: -114.064559
where:
bonds (distance) C4'-P energy: -22.195
bonds (distance) P-C4' energy: -23.057
flat angles C4'-P-C4' energy: -19.224
flat angles P-C4'-P energy: -16.054
tors. eta vs tors. theta energy: -33.535
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: 10
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -381.853996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.853996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.853996 (E_RNA)
where:
Base-Base interactions energy: -263.654
where: short stacking energy: -107.703
Base-Backbone interact. energy: -0.045
local terms energy: -118.155135
where:
bonds (distance) C4'-P energy: -22.776
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -24.201
flat angles P-C4'-P energy: -20.310
tors. eta vs tors. theta energy: -32.063
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: 5
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -372.294718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.294718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.294718 (E_RNA)
where:
Base-Base interactions energy: -265.876
where: short stacking energy: -108.459
Base-Backbone interact. energy: -0.062
local terms energy: -106.356601
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -23.571
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -17.821
tors. eta vs tors. theta energy: -30.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -372.597351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.597351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.597351 (E_RNA)
where:
Base-Base interactions energy: -264.279
where: short stacking energy: -101.453
Base-Backbone interact. energy: -0.033
local terms energy: -108.284798
where:
bonds (distance) C4'-P energy: -20.522
bonds (distance) P-C4' energy: -23.109
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -16.477
tors. eta vs tors. theta energy: -28.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -372.710067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.710067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.710067 (E_RNA)
where:
Base-Base interactions energy: -262.797
where: short stacking energy: -108.089
Base-Backbone interact. energy: -0.242
local terms energy: -109.670923
where:
bonds (distance) C4'-P energy: -19.546
bonds (distance) P-C4' energy: -17.560
flat angles C4'-P-C4' energy: -20.853
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -34.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -270.641805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.641805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.641805 (E_RNA)
where:
Base-Base interactions energy: -177.881
where: short stacking energy: -70.861
Base-Backbone interact. energy: -0.197
local terms energy: -92.564294
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -19.839
flat angles C4'-P-C4' energy: -22.339
flat angles P-C4'-P energy: -13.965
tors. eta vs tors. theta energy: -20.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -111.656985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.656985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.656985 (E_RNA)
where:
Base-Base interactions energy: -41.308
where: short stacking energy: -40.848
Base-Backbone interact. energy: -0.339
local terms energy: -70.010260
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -22.179
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -4.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -113.616234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.616234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.616234 (E_RNA)
where:
Base-Base interactions energy: -55.487
where: short stacking energy: -29.286
Base-Backbone interact. energy: -0.471
local terms energy: -57.658658
where:
bonds (distance) C4'-P energy: -17.329
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: 1.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -106.821211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.821211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.821211 (E_RNA)
where:
Base-Base interactions energy: -40.129
where: short stacking energy: -34.099
Base-Backbone interact. energy: 1.762
local terms energy: -68.453565
where:
bonds (distance) C4'-P energy: -16.691
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -14.830
tors. eta vs tors. theta energy: -2.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -391.291224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.291224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.291224 (E_RNA)
where:
Base-Base interactions energy: -267.430
where: short stacking energy: -117.704
Base-Backbone interact. energy: -0.765
local terms energy: -123.095910
where:
bonds (distance) C4'-P energy: -21.913
bonds (distance) P-C4' energy: -26.318
flat angles C4'-P-C4' energy: -24.044
flat angles P-C4'-P energy: -15.383
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: 2, replica: 2
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -384.279209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.279209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.279209 (E_RNA)
where:
Base-Base interactions energy: -265.652
where: short stacking energy: -110.870
Base-Backbone interact. energy: -0.020
local terms energy: -118.607426
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -22.429
flat angles C4'-P-C4' energy: -26.543
flat angles P-C4'-P energy: -18.401
tors. eta vs tors. theta energy: -31.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -388.920102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.920102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.920102 (E_RNA)
where:
Base-Base interactions energy: -270.686
where: short stacking energy: -109.666
Base-Backbone interact. energy: -0.222
local terms energy: -118.012126
where:
bonds (distance) C4'-P energy: -22.762
bonds (distance) P-C4' energy: -23.335
flat angles C4'-P-C4' energy: -26.801
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -32.314
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: 10
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -376.644110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.644110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.644110 (E_RNA)
where:
Base-Base interactions energy: -267.716
where: short stacking energy: -109.758
Base-Backbone interact. energy: -1.245
local terms energy: -107.683068
where:
bonds (distance) C4'-P energy: -18.711
bonds (distance) P-C4' energy: -21.075
flat angles C4'-P-C4' energy: -23.031
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -31.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -379.276808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.276808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.276808 (E_RNA)
where:
Base-Base interactions energy: -266.645
where: short stacking energy: -110.889
Base-Backbone interact. energy: -0.712
local terms energy: -111.919399
where:
bonds (distance) C4'-P energy: -19.895
bonds (distance) P-C4' energy: -20.021
flat angles C4'-P-C4' energy: -21.569
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -34.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -356.074724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.074724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.074724 (E_RNA)
where:
Base-Base interactions energy: -251.500
where: short stacking energy: -101.678
Base-Backbone interact. energy: -0.382
local terms energy: -104.192294
where:
bonds (distance) C4'-P energy: -17.889
bonds (distance) P-C4' energy: -20.186
flat angles C4'-P-C4' energy: -20.110
flat angles P-C4'-P energy: -15.565
tors. eta vs tors. theta energy: -30.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -252.857189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.857189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.857189 (E_RNA)
where:
Base-Base interactions energy: -166.035
where: short stacking energy: -60.144
Base-Backbone interact. energy: -0.247
local terms energy: -86.575454
where:
bonds (distance) C4'-P energy: -19.282
bonds (distance) P-C4' energy: -19.953
flat angles C4'-P-C4' energy: -20.278
flat angles P-C4'-P energy: -13.964
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: 8, replica: 4
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -112.941662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.941662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.941662 (E_RNA)
where:
Base-Base interactions energy: -44.371
where: short stacking energy: -41.718
Base-Backbone interact. energy: 0.923
local terms energy: -69.493556
where:
bonds (distance) C4'-P energy: -20.539
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -11.046
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: 9, replica: 1
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -112.303592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.303592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.303592 (E_RNA)
where:
Base-Base interactions energy: -47.499
where: short stacking energy: -30.556
Base-Backbone interact. energy: -0.739
local terms energy: -64.065689
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -23.484
flat angles C4'-P-C4' energy: -11.181
flat angles P-C4'-P energy: -16.460
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: 10, replica: 7
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -116.839225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.839225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.839225 (E_RNA)
where:
Base-Base interactions energy: -46.885
where: short stacking energy: -46.885
Base-Backbone interact. energy: -0.156
local terms energy: -69.798319
where:
bonds (distance) C4'-P energy: -22.677
bonds (distance) P-C4' energy: -19.625
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -0.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -390.930229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.930229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.930229 (E_RNA)
where:
Base-Base interactions energy: -276.433
where: short stacking energy: -113.516
Base-Backbone interact. energy: 0.389
local terms energy: -114.886316
where:
bonds (distance) C4'-P energy: -18.734
bonds (distance) P-C4' energy: -19.726
flat angles C4'-P-C4' energy: -25.035
flat angles P-C4'-P energy: -17.994
tors. eta vs tors. theta energy: -33.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -385.604887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.604887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.604887 (E_RNA)
where:
Base-Base interactions energy: -264.674
where: short stacking energy: -111.793
Base-Backbone interact. energy: -0.004
local terms energy: -120.926785
where:
bonds (distance) C4'-P energy: -21.265
bonds (distance) P-C4' energy: -25.618
flat angles C4'-P-C4' energy: -23.426
flat angles P-C4'-P energy: -17.899
tors. eta vs tors. theta energy: -32.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -389.600194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.600194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.600194 (E_RNA)
where:
Base-Base interactions energy: -274.251
where: short stacking energy: -108.673
Base-Backbone interact. energy: -0.001
local terms energy: -115.348948
where:
bonds (distance) C4'-P energy: -20.353
bonds (distance) P-C4' energy: -24.332
flat angles C4'-P-C4' energy: -21.731
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -36.855
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: 9
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -379.520234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.520234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.520234 (E_RNA)
where:
Base-Base interactions energy: -269.551
where: short stacking energy: -107.468
Base-Backbone interact. energy: -1.047
local terms energy: -108.922071
where:
bonds (distance) C4'-P energy: -20.962
bonds (distance) P-C4' energy: -22.255
flat angles C4'-P-C4' energy: -21.007
flat angles P-C4'-P energy: -9.814
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: 5, replica: 10
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -377.783622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.783622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.783622 (E_RNA)
where:
Base-Base interactions energy: -264.910
where: short stacking energy: -107.408
Base-Backbone interact. energy: -0.042
local terms energy: -112.831875
where:
bonds (distance) C4'-P energy: -17.555
bonds (distance) P-C4' energy: -24.405
flat angles C4'-P-C4' energy: -22.414
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: -32.965
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: 8
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -355.620514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.620514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.620514 (E_RNA)
where:
Base-Base interactions energy: -248.905
where: short stacking energy: -98.078
Base-Backbone interact. energy: -0.007
local terms energy: -106.708469
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -22.241
flat angles C4'-P-C4' energy: -23.730
flat angles P-C4'-P energy: -13.414
tors. eta vs tors. theta energy: -31.887
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: 7, replica: 3
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -225.532312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.532312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.532312 (E_RNA)
where:
Base-Base interactions energy: -152.332
where: short stacking energy: -73.656
Base-Backbone interact. energy: 2.447
local terms energy: -75.647621
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -24.790
flat angles C4'-P-C4' energy: -11.583
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -12.125
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: 8, replica: 1
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -120.696872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.696872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.696872 (E_RNA)
where:
Base-Base interactions energy: -45.224
where: short stacking energy: -43.678
Base-Backbone interact. energy: -0.058
local terms energy: -75.413925
where:
bonds (distance) C4'-P energy: -18.606
bonds (distance) P-C4' energy: -21.290
flat angles C4'-P-C4' energy: -23.418
flat angles P-C4'-P energy: -1.857
tors. eta vs tors. theta energy: -10.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -120.708436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.708436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.708436 (E_RNA)
where:
Base-Base interactions energy: -55.552
where: short stacking energy: -35.403
Base-Backbone interact. energy: -0.266
local terms energy: -64.890884
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -16.446
tors. eta vs tors. theta energy: 0.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -104.714551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.714551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.714551 (E_RNA)
where:
Base-Base interactions energy: -42.057
where: short stacking energy: -35.604
Base-Backbone interact. energy: 0.518
local terms energy: -63.175832
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -22.086
flat angles C4'-P-C4' energy: -7.418
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -2.778
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: 1, replica: 6
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -391.816650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.816650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.816650 (E_RNA)
where:
Base-Base interactions energy: -275.377
where: short stacking energy: -111.478
Base-Backbone interact. energy: 0.971
local terms energy: -117.410105
where:
bonds (distance) C4'-P energy: -22.447
bonds (distance) P-C4' energy: -24.124
flat angles C4'-P-C4' energy: -24.646
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: -32.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -379.214591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.214591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.214591 (E_RNA)
where:
Base-Base interactions energy: -266.427
where: short stacking energy: -102.768
Base-Backbone interact. energy: -0.990
local terms energy: -111.797142
where:
bonds (distance) C4'-P energy: -22.196
bonds (distance) P-C4' energy: -21.560
flat angles C4'-P-C4' energy: -23.834
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -29.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -385.794425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.794425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.794425 (E_RNA)
where:
Base-Base interactions energy: -270.210
where: short stacking energy: -112.722
Base-Backbone interact. energy: -0.085
local terms energy: -115.499005
where:
bonds (distance) C4'-P energy: -19.633
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -26.406
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -36.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -369.325261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.325261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.325261 (E_RNA)
where:
Base-Base interactions energy: -254.977
where: short stacking energy: -100.493
Base-Backbone interact. energy: -1.684
local terms energy: -112.663722
where:
bonds (distance) C4'-P energy: -20.763
bonds (distance) P-C4' energy: -23.535
flat angles C4'-P-C4' energy: -22.406
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -32.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -359.972495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.972495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.972495 (E_RNA)
where:
Base-Base interactions energy: -251.871
where: short stacking energy: -104.251
Base-Backbone interact. energy: -0.302
local terms energy: -107.799415
where:
bonds (distance) C4'-P energy: -17.674
bonds (distance) P-C4' energy: -21.519
flat angles C4'-P-C4' energy: -19.357
flat angles P-C4'-P energy: -13.746
tors. eta vs tors. theta energy: -35.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -366.988097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.988097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.988097 (E_RNA)
where:
Base-Base interactions energy: -255.246
where: short stacking energy: -102.032
Base-Backbone interact. energy: -0.032
local terms energy: -111.709824
where:
bonds (distance) C4'-P energy: -20.341
bonds (distance) P-C4' energy: -20.978
flat angles C4'-P-C4' energy: -22.202
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -33.898
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: 3
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -251.356367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.356367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.356367 (E_RNA)
where:
Base-Base interactions energy: -164.013
where: short stacking energy: -75.827
Base-Backbone interact. energy: -0.425
local terms energy: -86.918229
where:
bonds (distance) C4'-P energy: -24.605
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -19.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -116.778886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.778886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.778886 (E_RNA)
where:
Base-Base interactions energy: -46.827
where: short stacking energy: -32.052
Base-Backbone interact. energy: -0.197
local terms energy: -69.754681
where:
bonds (distance) C4'-P energy: -21.686
bonds (distance) P-C4' energy: -21.617
flat angles C4'-P-C4' energy: -18.866
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: 4.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -111.070049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.070049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.070049 (E_RNA)
where:
Base-Base interactions energy: -44.146
where: short stacking energy: -38.881
Base-Backbone interact. energy: 0.297
local terms energy: -67.220958
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -19.567
flat angles C4'-P-C4' energy: -18.098
flat angles P-C4'-P energy: -9.669
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: 10, replica: 4
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -102.252027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.252027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.252027 (E_RNA)
where:
Base-Base interactions energy: -39.919
where: short stacking energy: -38.350
Base-Backbone interact. energy: -1.085
local terms energy: -61.248864
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -20.964
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: 0.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -394.742612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.742612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.742612 (E_RNA)
where:
Base-Base interactions energy: -278.831
where: short stacking energy: -118.329
Base-Backbone interact. energy: 0.458
local terms energy: -116.369382
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -24.304
flat angles C4'-P-C4' energy: -24.991
flat angles P-C4'-P energy: -17.146
tors. eta vs tors. theta energy: -34.075
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: 2
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -381.540167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.540167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.540167 (E_RNA)
where:
Base-Base interactions energy: -268.322
where: short stacking energy: -105.107
Base-Backbone interact. energy: -0.001
local terms energy: -113.217641
where:
bonds (distance) C4'-P energy: -21.985
bonds (distance) P-C4' energy: -18.723
flat angles C4'-P-C4' energy: -23.960
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -33.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -372.863456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.863456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.863456 (E_RNA)
where:
Base-Base interactions energy: -260.141
where: short stacking energy: -93.326
Base-Backbone interact. energy: -0.015
local terms energy: -112.707306
where:
bonds (distance) C4'-P energy: -21.575
bonds (distance) P-C4' energy: -24.072
flat angles C4'-P-C4' energy: -23.968
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -27.760
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: 407
Temperature: 1.050000
Total energy: -367.453172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.453172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.453172 (E_RNA)
where:
Base-Base interactions energy: -254.350
where: short stacking energy: -106.997
Base-Backbone interact. energy: -0.114
local terms energy: -112.989022
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -22.106
flat angles C4'-P-C4' energy: -25.945
flat angles P-C4'-P energy: -17.361
tors. eta vs tors. theta energy: -33.468
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: 8
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -378.789662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.789662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.789662 (E_RNA)
where:
Base-Base interactions energy: -271.526
where: short stacking energy: -101.525
Base-Backbone interact. energy: -0.208
local terms energy: -107.055729
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -22.894
flat angles C4'-P-C4' energy: -26.801
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -30.792
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: 10
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -360.835590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.835590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.835590 (E_RNA)
where:
Base-Base interactions energy: -246.344
where: short stacking energy: -101.013
Base-Backbone interact. energy: -0.293
local terms energy: -114.199352
where:
bonds (distance) C4'-P energy: -18.350
bonds (distance) P-C4' energy: -21.864
flat angles C4'-P-C4' energy: -23.850
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -33.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -230.607697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.607697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.607697 (E_RNA)
where:
Base-Base interactions energy: -141.673
where: short stacking energy: -74.592
Base-Backbone interact. energy: -0.161
local terms energy: -88.773289
where:
bonds (distance) C4'-P energy: -22.013
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -20.917
flat angles P-C4'-P energy: -10.330
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: 8, replica: 7
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -150.288309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.288309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.288309 (E_RNA)
where:
Base-Base interactions energy: -94.674
where: short stacking energy: -38.809
Base-Backbone interact. energy: -1.553
local terms energy: -54.060870
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -17.887
flat angles C4'-P-C4' energy: -8.434
flat angles P-C4'-P energy: -15.324
tors. eta vs tors. theta energy: 1.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -135.584683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.584683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.584683 (E_RNA)
where:
Base-Base interactions energy: -59.169
where: short stacking energy: -49.187
Base-Backbone interact. energy: -0.248
local terms energy: -76.167577
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -20.926
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -11.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -118.330516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.330516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.330516 (E_RNA)
where:
Base-Base interactions energy: -40.289
where: short stacking energy: -34.430
Base-Backbone interact. energy: -0.281
local terms energy: -77.760343
where:
bonds (distance) C4'-P energy: -22.013
bonds (distance) P-C4' energy: -16.711
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -10.582
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: 6
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -393.187626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.187626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.187626 (E_RNA)
where:
Base-Base interactions energy: -269.847
where: short stacking energy: -112.945
Base-Backbone interact. energy: -0.004
local terms energy: -123.336559
where:
bonds (distance) C4'-P energy: -22.781
bonds (distance) P-C4' energy: -25.007
flat angles C4'-P-C4' energy: -24.398
flat angles P-C4'-P energy: -16.683
tors. eta vs tors. theta energy: -34.468
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: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -384.943049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.943049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.943049 (E_RNA)
where:
Base-Base interactions energy: -271.188
where: short stacking energy: -107.097
Base-Backbone interact. energy: 0.077
local terms energy: -113.831284
where:
bonds (distance) C4'-P energy: -20.880
bonds (distance) P-C4' energy: -19.529
flat angles C4'-P-C4' energy: -25.569
flat angles P-C4'-P energy: -13.881
tors. eta vs tors. theta energy: -33.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -378.085615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.085615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.085615 (E_RNA)
where:
Base-Base interactions energy: -272.849
where: short stacking energy: -99.999
Base-Backbone interact. energy: -0.326
local terms energy: -104.910330
where:
bonds (distance) C4'-P energy: -20.871
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -21.683
flat angles P-C4'-P energy: -16.323
tors. eta vs tors. theta energy: -28.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -380.128796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.128796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.128796 (E_RNA)
where:
Base-Base interactions energy: -269.386
where: short stacking energy: -110.325
Base-Backbone interact. energy: -0.661
local terms energy: -110.081836
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -20.204
flat angles C4'-P-C4' energy: -24.478
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -33.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -378.661488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.661488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.661488 (E_RNA)
where:
Base-Base interactions energy: -267.137
where: short stacking energy: -103.254
Base-Backbone interact. energy: -0.087
local terms energy: -111.437988
where:
bonds (distance) C4'-P energy: -20.573
bonds (distance) P-C4' energy: -21.175
flat angles C4'-P-C4' energy: -20.435
flat angles P-C4'-P energy: -15.066
tors. eta vs tors. theta energy: -34.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -346.438723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.438723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.438723 (E_RNA)
where:
Base-Base interactions energy: -247.420
where: short stacking energy: -95.081
Base-Backbone interact. energy: -0.072
local terms energy: -98.946569
where:
bonds (distance) C4'-P energy: -18.583
bonds (distance) P-C4' energy: -21.939
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -16.281
tors. eta vs tors. theta energy: -23.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -239.048156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.048156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.048156 (E_RNA)
where:
Base-Base interactions energy: -147.868
where: short stacking energy: -63.026
Base-Backbone interact. energy: -0.018
local terms energy: -91.162729
where:
bonds (distance) C4'-P energy: -18.168
bonds (distance) P-C4' energy: -23.435
flat angles C4'-P-C4' energy: -20.649
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -19.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -165.627233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.627233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.627233 (E_RNA)
where:
Base-Base interactions energy: -97.411
where: short stacking energy: -54.533
Base-Backbone interact. energy: 0.380
local terms energy: -68.596216
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -21.316
flat angles C4'-P-C4' energy: -10.785
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -9.549
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: 4
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -102.824056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.824056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.824056 (E_RNA)
where:
Base-Base interactions energy: -35.757
where: short stacking energy: -32.980
Base-Backbone interact. energy: -0.273
local terms energy: -66.794422
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -20.730
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -1.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -106.571428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.571428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.571428 (E_RNA)
where:
Base-Base interactions energy: -46.232
where: short stacking energy: -44.722
Base-Backbone interact. energy: -0.238
local terms energy: -60.102261
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -20.282
flat angles C4'-P-C4' energy: -11.126
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -5.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -395.573063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.573063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.573063 (E_RNA)
where:
Base-Base interactions energy: -279.821
where: short stacking energy: -117.078
Base-Backbone interact. energy: 0.152
local terms energy: -115.904148
where:
bonds (distance) C4'-P energy: -21.164
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -22.806
flat angles P-C4'-P energy: -16.620
tors. eta vs tors. theta energy: -32.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -396.487897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.487897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.487897 (E_RNA)
where:
Base-Base interactions energy: -285.805
where: short stacking energy: -104.123
Base-Backbone interact. energy: -0.117
local terms energy: -110.565122
where:
bonds (distance) C4'-P energy: -22.808
bonds (distance) P-C4' energy: -22.450
flat angles C4'-P-C4' energy: -23.593
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -28.760
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: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -384.132557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.132557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.132557 (E_RNA)
where:
Base-Base interactions energy: -284.361
where: short stacking energy: -117.451
Base-Backbone interact. energy: -0.062
local terms energy: -99.710197
where:
bonds (distance) C4'-P energy: -19.228
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -21.928
flat angles P-C4'-P energy: -5.848
tors. eta vs tors. theta energy: -35.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -375.018632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.018632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.018632 (E_RNA)
where:
Base-Base interactions energy: -263.471
where: short stacking energy: -103.170
Base-Backbone interact. energy: -0.086
local terms energy: -111.462010
where:
bonds (distance) C4'-P energy: -22.132
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -23.831
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -33.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -379.143689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.143689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.143689 (E_RNA)
where:
Base-Base interactions energy: -269.856
where: short stacking energy: -111.519
Base-Backbone interact. energy: -0.140
local terms energy: -109.147578
where:
bonds (distance) C4'-P energy: -23.107
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -23.467
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -33.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -364.253340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.253340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.253340 (E_RNA)
where:
Base-Base interactions energy: -259.044
where: short stacking energy: -97.366
Base-Backbone interact. energy: -0.206
local terms energy: -105.003229
where:
bonds (distance) C4'-P energy: -20.627
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -21.643
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -30.235
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: 3
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -273.733389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.733389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.733389 (E_RNA)
where:
Base-Base interactions energy: -181.055
where: short stacking energy: -85.384
Base-Backbone interact. energy: -0.130
local terms energy: -92.548250
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -15.086
tors. eta vs tors. theta energy: -26.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -161.514257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.514257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.514257 (E_RNA)
where:
Base-Base interactions energy: -85.471
where: short stacking energy: -52.532
Base-Backbone interact. energy: -0.511
local terms energy: -75.532487
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -22.199
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -10.694
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: 9, replica: 4
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -104.866496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.866496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.866496 (E_RNA)
where:
Base-Base interactions energy: -36.534
where: short stacking energy: -36.534
Base-Backbone interact. energy: -0.291
local terms energy: -68.041198
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -19.032
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -4.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -113.164167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.164167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.164167 (E_RNA)
where:
Base-Base interactions energy: -47.115
where: short stacking energy: -41.708
Base-Backbone interact. energy: -0.742
local terms energy: -65.307315
where:
bonds (distance) C4'-P energy: -20.220
bonds (distance) P-C4' energy: -25.731
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -5.550
tors. eta vs tors. theta energy: 1.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -391.440339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.440339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.440339 (E_RNA)
where:
Base-Base interactions energy: -280.149
where: short stacking energy: -102.927
Base-Backbone interact. energy: -0.409
local terms energy: -110.882482
where:
bonds (distance) C4'-P energy: -22.139
bonds (distance) P-C4' energy: -23.760
flat angles C4'-P-C4' energy: -24.746
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -29.636
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: 410
Temperature: 0.950000
Total energy: -394.545773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.545773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.545773 (E_RNA)
where:
Base-Base interactions energy: -279.829
where: short stacking energy: -119.229
Base-Backbone interact. energy: 0.162
local terms energy: -114.878487
where:
bonds (distance) C4'-P energy: -20.237
bonds (distance) P-C4' energy: -23.004
flat angles C4'-P-C4' energy: -24.113
flat angles P-C4'-P energy: -14.454
tors. eta vs tors. theta energy: -33.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -380.247727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.247727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.247727 (E_RNA)
where:
Base-Base interactions energy: -266.946
where: short stacking energy: -113.142
Base-Backbone interact. energy: -0.046
local terms energy: -113.255593
where:
bonds (distance) C4'-P energy: -23.610
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -24.398
flat angles P-C4'-P energy: -15.659
tors. eta vs tors. theta energy: -33.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -372.703395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.703395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.703395 (E_RNA)
where:
Base-Base interactions energy: -259.375
where: short stacking energy: -109.679
Base-Backbone interact. energy: -0.012
local terms energy: -113.316582
where:
bonds (distance) C4'-P energy: -24.104
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -22.653
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -35.049
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: 410
Temperature: 1.100000
Total energy: -366.035487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.035487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.035487 (E_RNA)
where:
Base-Base interactions energy: -252.843
where: short stacking energy: -101.095
Base-Backbone interact. energy: -0.007
local terms energy: -113.184885
where:
bonds (distance) C4'-P energy: -20.613
bonds (distance) P-C4' energy: -22.799
flat angles C4'-P-C4' energy: -23.879
flat angles P-C4'-P energy: -14.643
tors. eta vs tors. theta energy: -31.252
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: 8
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -358.605821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.605821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.605821 (E_RNA)
where:
Base-Base interactions energy: -260.238
where: short stacking energy: -93.089
Base-Backbone interact. energy: -0.346
local terms energy: -98.021418
where:
bonds (distance) C4'-P energy: -18.756
bonds (distance) P-C4' energy: -17.673
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -18.229
tors. eta vs tors. theta energy: -27.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -280.544185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.544185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.544185 (E_RNA)
where:
Base-Base interactions energy: -193.798
where: short stacking energy: -82.068
Base-Backbone interact. energy: -0.002
local terms energy: -86.745082
where:
bonds (distance) C4'-P energy: -17.889
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -25.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -165.675462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.675462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.675462 (E_RNA)
where:
Base-Base interactions energy: -93.292
where: short stacking energy: -51.173
Base-Backbone interact. energy: -0.445
local terms energy: -71.938248
where:
bonds (distance) C4'-P energy: -18.640
bonds (distance) P-C4' energy: -20.145
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -10.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -122.855470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.855470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.855470 (E_RNA)
where:
Base-Base interactions energy: -39.386
where: short stacking energy: -35.443
Base-Backbone interact. energy: 2.106
local terms energy: -85.575735
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -22.411
flat angles C4'-P-C4' energy: -24.356
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: -6.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -95.513642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.513642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.513642 (E_RNA)
where:
Base-Base interactions energy: -30.575
where: short stacking energy: -30.575
Base-Backbone interact. energy: -0.657
local terms energy: -64.281370
where:
bonds (distance) C4'-P energy: -16.691
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -8.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -389.725933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.725933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.725933 (E_RNA)
where:
Base-Base interactions energy: -278.127
where: short stacking energy: -102.308
Base-Backbone interact. energy: -0.193
local terms energy: -111.405227
where:
bonds (distance) C4'-P energy: -19.836
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -23.733
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: -30.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -386.474100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.474100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.474100 (E_RNA)
where:
Base-Base interactions energy: -264.435
where: short stacking energy: -106.294
Base-Backbone interact. energy: -0.669
local terms energy: -121.370321
where:
bonds (distance) C4'-P energy: -25.768
bonds (distance) P-C4' energy: -21.689
flat angles C4'-P-C4' energy: -25.185
flat angles P-C4'-P energy: -15.918
tors. eta vs tors. theta energy: -32.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -382.959019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.959019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.959019 (E_RNA)
where:
Base-Base interactions energy: -264.604
where: short stacking energy: -100.785
Base-Backbone interact. energy: -0.476
local terms energy: -117.878937
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -22.742
flat angles C4'-P-C4' energy: -25.691
flat angles P-C4'-P energy: -17.282
tors. eta vs tors. theta energy: -35.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -383.518490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.518490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.518490 (E_RNA)
where:
Base-Base interactions energy: -273.804
where: short stacking energy: -112.058
Base-Backbone interact. energy: -0.008
local terms energy: -109.706222
where:
bonds (distance) C4'-P energy: -20.464
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -35.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -375.391463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.391463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.391463 (E_RNA)
where:
Base-Base interactions energy: -258.784
where: short stacking energy: -99.676
Base-Backbone interact. energy: -0.263
local terms energy: -116.344285
where:
bonds (distance) C4'-P energy: -21.653
bonds (distance) P-C4' energy: -24.148
flat angles C4'-P-C4' energy: -23.900
flat angles P-C4'-P energy: -15.299
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: 6, replica: 8
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -352.399858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.399858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.399858 (E_RNA)
where:
Base-Base interactions energy: -264.019
where: short stacking energy: -98.737
Base-Backbone interact. energy: -0.560
local terms energy: -87.821318
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -11.233
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -27.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -265.394259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.394259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.394259 (E_RNA)
where:
Base-Base interactions energy: -174.788
where: short stacking energy: -82.000
Base-Backbone interact. energy: -0.848
local terms energy: -89.758761
where:
bonds (distance) C4'-P energy: -17.998
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -15.830
tors. eta vs tors. theta energy: -20.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -171.778969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.778969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.778969 (E_RNA)
where:
Base-Base interactions energy: -95.830
where: short stacking energy: -60.226
Base-Backbone interact. energy: -0.189
local terms energy: -75.760055
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -21.325
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -13.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -110.830339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.830339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.830339 (E_RNA)
where:
Base-Base interactions energy: -54.354
where: short stacking energy: -30.393
Base-Backbone interact. energy: -0.124
local terms energy: -56.351465
where:
bonds (distance) C4'-P energy: -18.268
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: 4.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -111.255754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.255754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.255754 (E_RNA)
where:
Base-Base interactions energy: -41.678
where: short stacking energy: -42.342
Base-Backbone interact. energy: -0.317
local terms energy: -69.261467
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -21.612
flat angles C4'-P-C4' energy: -13.775
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -5.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -389.669105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.669105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.669105 (E_RNA)
where:
Base-Base interactions energy: -269.056
where: short stacking energy: -111.301
Base-Backbone interact. energy: -0.374
local terms energy: -120.239028
where:
bonds (distance) C4'-P energy: -22.792
bonds (distance) P-C4' energy: -23.694
flat angles C4'-P-C4' energy: -23.266
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -35.902
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: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -380.561787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.561787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.561787 (E_RNA)
where:
Base-Base interactions energy: -265.693
where: short stacking energy: -104.357
Base-Backbone interact. energy: -0.101
local terms energy: -114.767326
where:
bonds (distance) C4'-P energy: -24.247
bonds (distance) P-C4' energy: -22.006
flat angles C4'-P-C4' energy: -26.509
flat angles P-C4'-P energy: -14.690
tors. eta vs tors. theta energy: -27.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -375.847729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.847729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.847729 (E_RNA)
where:
Base-Base interactions energy: -266.723
where: short stacking energy: -114.078
Base-Backbone interact. energy: -0.002
local terms energy: -109.122419
where:
bonds (distance) C4'-P energy: -19.861
bonds (distance) P-C4' energy: -24.253
flat angles C4'-P-C4' energy: -23.934
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -30.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -368.400877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.400877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.400877 (E_RNA)
where:
Base-Base interactions energy: -259.954
where: short stacking energy: -105.211
Base-Backbone interact. energy: -0.009
local terms energy: -108.438604
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -21.499
flat angles C4'-P-C4' energy: -20.770
flat angles P-C4'-P energy: -18.650
tors. eta vs tors. theta energy: -32.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -368.804844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.804844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.804844 (E_RNA)
where:
Base-Base interactions energy: -267.378
where: short stacking energy: -112.957
Base-Backbone interact. energy: -0.628
local terms energy: -100.799053
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -24.193
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -32.019
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: 6, replica: 8
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -361.408868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.408868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.408868 (E_RNA)
where:
Base-Base interactions energy: -260.902
where: short stacking energy: -101.214
Base-Backbone interact. energy: -0.266
local terms energy: -100.240000
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -20.930
flat angles C4'-P-C4' energy: -24.096
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -28.123
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: 412
Temperature: 1.200000
Total energy: -269.486805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.486805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.486805 (E_RNA)
where:
Base-Base interactions energy: -190.778
where: short stacking energy: -85.538
Base-Backbone interact. energy: -0.955
local terms energy: -77.753634
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -11.273
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -14.978
tors. eta vs tors. theta energy: -20.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -163.963082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.963082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.963082 (E_RNA)
where:
Base-Base interactions energy: -97.661
where: short stacking energy: -54.218
Base-Backbone interact. energy: -0.146
local terms energy: -66.155501
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -20.200
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -7.386
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: 1
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -110.860014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.860014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.860014 (E_RNA)
where:
Base-Base interactions energy: -41.377
where: short stacking energy: -41.377
Base-Backbone interact. energy: -0.251
local terms energy: -69.232232
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -24.906
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -2.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -116.281193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.281193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.281193 (E_RNA)
where:
Base-Base interactions energy: -58.115
where: short stacking energy: -41.841
Base-Backbone interact. energy: 0.288
local terms energy: -58.454760
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -19.286
flat angles P-C4'-P energy: -8.112
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: 413
Temperature: 0.900000
Total energy: -395.821857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.821857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.821857 (E_RNA)
where:
Base-Base interactions energy: -273.802
where: short stacking energy: -114.465
Base-Backbone interact. energy: -0.001
local terms energy: -122.018650
where:
bonds (distance) C4'-P energy: -22.094
bonds (distance) P-C4' energy: -23.458
flat angles C4'-P-C4' energy: -24.604
flat angles P-C4'-P energy: -18.359
tors. eta vs tors. theta energy: -33.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -392.278046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.278046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.278046 (E_RNA)
where:
Base-Base interactions energy: -267.846
where: short stacking energy: -109.668
Base-Backbone interact. energy: -0.760
local terms energy: -123.672431
where:
bonds (distance) C4'-P energy: -24.352
bonds (distance) P-C4' energy: -23.423
flat angles C4'-P-C4' energy: -25.043
flat angles P-C4'-P energy: -17.376
tors. eta vs tors. theta energy: -33.479
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: 5
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -370.222499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.222499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.222499 (E_RNA)
where:
Base-Base interactions energy: -265.963
where: short stacking energy: -107.608
Base-Backbone interact. energy: -0.029
local terms energy: -104.230204
where:
bonds (distance) C4'-P energy: -21.269
bonds (distance) P-C4' energy: -21.111
flat angles C4'-P-C4' energy: -20.724
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: -27.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -370.371760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.371760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.371760 (E_RNA)
where:
Base-Base interactions energy: -263.311
where: short stacking energy: -100.930
Base-Backbone interact. energy: -0.402
local terms energy: -106.658163
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -23.369
flat angles C4'-P-C4' energy: -24.165
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -31.444
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: 5, replica: 2
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -353.507293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.507293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.507293 (E_RNA)
where:
Base-Base interactions energy: -249.593
where: short stacking energy: -95.680
Base-Backbone interact. energy: -0.377
local terms energy: -103.536445
where:
bonds (distance) C4'-P energy: -17.734
bonds (distance) P-C4' energy: -18.402
flat angles C4'-P-C4' energy: -21.313
flat angles P-C4'-P energy: -16.258
tors. eta vs tors. theta energy: -29.830
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: 8
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -365.549075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.549075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.549075 (E_RNA)
where:
Base-Base interactions energy: -262.393
where: short stacking energy: -93.759
Base-Backbone interact. energy: 0.236
local terms energy: -103.392247
where:
bonds (distance) C4'-P energy: -19.370
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -21.378
flat angles P-C4'-P energy: -15.142
tors. eta vs tors. theta energy: -28.028
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: 3
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -295.538943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.538943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.538943 (E_RNA)
where:
Base-Base interactions energy: -206.410
where: short stacking energy: -84.527
Base-Backbone interact. energy: -0.084
local terms energy: -89.045037
where:
bonds (distance) C4'-P energy: -20.056
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -23.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -120.474536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.474536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.474536 (E_RNA)
where:
Base-Base interactions energy: -55.189
where: short stacking energy: -44.743
Base-Backbone interact. energy: -0.269
local terms energy: -65.016857
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -19.841
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -3.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -104.836580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.836580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.836580 (E_RNA)
where:
Base-Base interactions energy: -37.123
where: short stacking energy: -30.053
Base-Backbone interact. energy: -1.779
local terms energy: -65.934550
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -21.078
flat angles C4'-P-C4' energy: -18.488
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -0.008
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: 4
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -100.957846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.957846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.957846 (E_RNA)
where:
Base-Base interactions energy: -27.633
where: short stacking energy: -23.173
Base-Backbone interact. energy: 0.384
local terms energy: -73.708622
where:
bonds (distance) C4'-P energy: -19.521
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -18.332
flat angles P-C4'-P energy: -14.143
tors. eta vs tors. theta energy: -3.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -397.368222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.368222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.368222 (E_RNA)
where:
Base-Base interactions energy: -278.382
where: short stacking energy: -117.279
Base-Backbone interact. energy: -0.003
local terms energy: -118.983167
where:
bonds (distance) C4'-P energy: -22.679
bonds (distance) P-C4' energy: -21.856
flat angles C4'-P-C4' energy: -23.290
flat angles P-C4'-P energy: -19.163
tors. eta vs tors. theta energy: -31.995
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: 414
Temperature: 0.950000
Total energy: -390.934115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.934115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.934115 (E_RNA)
where:
Base-Base interactions energy: -275.128
where: short stacking energy: -107.378
Base-Backbone interact. energy: -0.058
local terms energy: -115.747930
where:
bonds (distance) C4'-P energy: -21.966
bonds (distance) P-C4' energy: -25.716
flat angles C4'-P-C4' energy: -22.136
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -33.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -380.409193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.409193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.409193 (E_RNA)
where:
Base-Base interactions energy: -268.109
where: short stacking energy: -105.005
Base-Backbone interact. energy: -0.587
local terms energy: -111.713588
where:
bonds (distance) C4'-P energy: -21.297
bonds (distance) P-C4' energy: -18.512
flat angles C4'-P-C4' energy: -19.160
flat angles P-C4'-P energy: -17.881
tors. eta vs tors. theta energy: -34.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -376.496244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.496244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.496244 (E_RNA)
where:
Base-Base interactions energy: -269.688
where: short stacking energy: -100.913
Base-Backbone interact. energy: -0.088
local terms energy: -106.720337
where:
bonds (distance) C4'-P energy: -18.408
bonds (distance) P-C4' energy: -19.096
flat angles C4'-P-C4' energy: -24.382
flat angles P-C4'-P energy: -16.869
tors. eta vs tors. theta energy: -27.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -370.459417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.459417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.459417 (E_RNA)
where:
Base-Base interactions energy: -266.066
where: short stacking energy: -104.295
Base-Backbone interact. energy: -0.002
local terms energy: -104.390736
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -15.228
tors. eta vs tors. theta energy: -33.682
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: 2
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -359.559159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.559159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.559159 (E_RNA)
where:
Base-Base interactions energy: -256.942
where: short stacking energy: -92.846
Base-Backbone interact. energy: -0.081
local terms energy: -102.535954
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -19.494
flat angles C4'-P-C4' energy: -21.942
flat angles P-C4'-P energy: -16.987
tors. eta vs tors. theta energy: -26.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -253.652582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.652582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.652582 (E_RNA)
where:
Base-Base interactions energy: -173.464
where: short stacking energy: -59.561
Base-Backbone interact. energy: -0.482
local terms energy: -79.706625
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -14.659
tors. eta vs tors. theta energy: -13.148
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: 8, replica: 1
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -124.484637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.484637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.484637 (E_RNA)
where:
Base-Base interactions energy: -53.982
where: short stacking energy: -26.461
Base-Backbone interact. energy: -0.272
local terms energy: -70.231077
where:
bonds (distance) C4'-P energy: -18.946
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -21.179
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -0.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -106.689474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.689474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.689474 (E_RNA)
where:
Base-Base interactions energy: -52.483
where: short stacking energy: -46.730
Base-Backbone interact. energy: -0.469
local terms energy: -53.737709
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: 0.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -112.790565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.790565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.790565 (E_RNA)
where:
Base-Base interactions energy: -49.526
where: short stacking energy: -35.061
Base-Backbone interact. energy: -0.862
local terms energy: -62.403105
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: 0.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -395.723123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.723123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.723123 (E_RNA)
where:
Base-Base interactions energy: -279.182
where: short stacking energy: -119.561
Base-Backbone interact. energy: -0.009
local terms energy: -116.531788
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -24.724
flat angles C4'-P-C4' energy: -23.920
flat angles P-C4'-P energy: -15.778
tors. eta vs tors. theta energy: -34.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -391.356843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.356843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.356843 (E_RNA)
where:
Base-Base interactions energy: -273.045
where: short stacking energy: -104.256
Base-Backbone interact. energy: -0.097
local terms energy: -118.214082
where:
bonds (distance) C4'-P energy: -21.482
bonds (distance) P-C4' energy: -21.917
flat angles C4'-P-C4' energy: -26.011
flat angles P-C4'-P energy: -13.835
tors. eta vs tors. theta energy: -34.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -385.301498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.301498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.301498 (E_RNA)
where:
Base-Base interactions energy: -274.312
where: short stacking energy: -109.937
Base-Backbone interact. energy: -0.002
local terms energy: -110.987581
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -20.977
flat angles C4'-P-C4' energy: -21.544
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -33.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -389.472457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.472457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.472457 (E_RNA)
where:
Base-Base interactions energy: -273.246
where: short stacking energy: -113.080
Base-Backbone interact. energy: -0.150
local terms energy: -116.076486
where:
bonds (distance) C4'-P energy: -17.968
bonds (distance) P-C4' energy: -22.750
flat angles C4'-P-C4' energy: -23.186
flat angles P-C4'-P energy: -16.521
tors. eta vs tors. theta energy: -35.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -365.435271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.435271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.435271 (E_RNA)
where:
Base-Base interactions energy: -258.941
where: short stacking energy: -93.543
Base-Backbone interact. energy: -0.030
local terms energy: -106.464649
where:
bonds (distance) C4'-P energy: -17.115
bonds (distance) P-C4' energy: -21.663
flat angles C4'-P-C4' energy: -22.874
flat angles P-C4'-P energy: -15.839
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: 6, replica: 2
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -356.904212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.904212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.904212 (E_RNA)
where:
Base-Base interactions energy: -254.244
where: short stacking energy: -91.304
Base-Backbone interact. energy: 0.824
local terms energy: -103.483489
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -18.306
flat angles C4'-P-C4' energy: -21.398
flat angles P-C4'-P energy: -17.525
tors. eta vs tors. theta energy: -27.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -267.626732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.626732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.626732 (E_RNA)
where:
Base-Base interactions energy: -176.944
where: short stacking energy: -74.340
Base-Backbone interact. energy: -0.043
local terms energy: -90.639784
where:
bonds (distance) C4'-P energy: -20.615
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -10.545
flat angles P-C4'-P energy: -15.346
tors. eta vs tors. theta energy: -27.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -121.980264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.980264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.980264 (E_RNA)
where:
Base-Base interactions energy: -48.163
where: short stacking energy: -44.410
Base-Backbone interact. energy: -0.498
local terms energy: -73.319382
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -25.180
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -5.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -119.345982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.345982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.345982 (E_RNA)
where:
Base-Base interactions energy: -46.067
where: short stacking energy: -45.455
Base-Backbone interact. energy: -0.713
local terms energy: -72.565548
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -9.509
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -14.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -114.346855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.346855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.346855 (E_RNA)
where:
Base-Base interactions energy: -51.957
where: short stacking energy: -28.470
Base-Backbone interact. energy: 0.418
local terms energy: -62.808117
where:
bonds (distance) C4'-P energy: -17.065
bonds (distance) P-C4' energy: -24.437
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -3.452
tors. eta vs tors. theta energy: 0.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -390.982341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.982341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.982341 (E_RNA)
where:
Base-Base interactions energy: -278.611
where: short stacking energy: -112.985
Base-Backbone interact. energy: -0.150
local terms energy: -112.221150
where:
bonds (distance) C4'-P energy: -24.541
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -14.993
tors. eta vs tors. theta energy: -33.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -388.349407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.349407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.349407 (E_RNA)
where:
Base-Base interactions energy: -275.547
where: short stacking energy: -112.228
Base-Backbone interact. energy: 1.160
local terms energy: -113.962266
where:
bonds (distance) C4'-P energy: -21.097
bonds (distance) P-C4' energy: -20.476
flat angles C4'-P-C4' energy: -21.731
flat angles P-C4'-P energy: -17.292
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: 3, replica: 8
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -387.383685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.383685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.383685 (E_RNA)
where:
Base-Base interactions energy: -269.206
where: short stacking energy: -105.910
Base-Backbone interact. energy: -0.973
local terms energy: -117.205088
where:
bonds (distance) C4'-P energy: -21.255
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -21.700
flat angles P-C4'-P energy: -14.853
tors. eta vs tors. theta energy: -36.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -378.993550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.993550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.993550 (E_RNA)
where:
Base-Base interactions energy: -266.500
where: short stacking energy: -105.458
Base-Backbone interact. energy: -0.004
local terms energy: -112.489335
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -21.424
flat angles C4'-P-C4' energy: -24.509
flat angles P-C4'-P energy: -17.360
tors. eta vs tors. theta energy: -32.757
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: 5, replica: 2
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -367.694775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.694775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.694775 (E_RNA)
where:
Base-Base interactions energy: -269.169
where: short stacking energy: -105.739
Base-Backbone interact. energy: -0.016
local terms energy: -98.509449
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -20.145
flat angles C4'-P-C4' energy: -22.372
flat angles P-C4'-P energy: -9.449
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: 6, replica: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -355.638688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.638688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.638688 (E_RNA)
where:
Base-Base interactions energy: -257.311
where: short stacking energy: -96.159
Base-Backbone interact. energy: -0.107
local terms energy: -98.220495
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -19.579
flat angles C4'-P-C4' energy: -18.860
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -25.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -263.767515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.767515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.767515 (E_RNA)
where:
Base-Base interactions energy: -175.901
where: short stacking energy: -67.295
Base-Backbone interact. energy: -0.201
local terms energy: -87.665391
where:
bonds (distance) C4'-P energy: -18.616
bonds (distance) P-C4' energy: -21.182
flat angles C4'-P-C4' energy: -21.121
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -14.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -120.541486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.541486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.541486 (E_RNA)
where:
Base-Base interactions energy: -42.376
where: short stacking energy: -42.776
Base-Backbone interact. energy: -0.536
local terms energy: -77.629568
where:
bonds (distance) C4'-P energy: -10.288
bonds (distance) P-C4' energy: -23.011
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -17.885
tors. eta vs tors. theta energy: -8.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -100.859694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.859694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.859694 (E_RNA)
where:
Base-Base interactions energy: -44.523
where: short stacking energy: -41.344
Base-Backbone interact. energy: -0.247
local terms energy: -56.090187
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -17.944
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -1.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -96.785515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.785515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.785515 (E_RNA)
where:
Base-Base interactions energy: -39.681
where: short stacking energy: -30.381
Base-Backbone interact. energy: -0.360
local terms energy: -56.745177
where:
bonds (distance) C4'-P energy: -21.087
bonds (distance) P-C4' energy: -21.751
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: 3.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -391.939793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.939793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.939793 (E_RNA)
where:
Base-Base interactions energy: -282.291
where: short stacking energy: -112.961
Base-Backbone interact. energy: -0.002
local terms energy: -109.647382
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -20.623
flat angles C4'-P-C4' energy: -22.363
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -33.431
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: 10
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -397.737343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.737343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.737343 (E_RNA)
where:
Base-Base interactions energy: -273.589
where: short stacking energy: -109.504
Base-Backbone interact. energy: -0.493
local terms energy: -123.655035
where:
bonds (distance) C4'-P energy: -20.693
bonds (distance) P-C4' energy: -26.196
flat angles C4'-P-C4' energy: -26.145
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: -36.902
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: 417
Temperature: 1.000000
Total energy: -374.332083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.332083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.332083 (E_RNA)
where:
Base-Base interactions energy: -257.782
where: short stacking energy: -105.578
Base-Backbone interact. energy: -0.144
local terms energy: -116.405626
where:
bonds (distance) C4'-P energy: -22.942
bonds (distance) P-C4' energy: -19.377
flat angles C4'-P-C4' energy: -24.247
flat angles P-C4'-P energy: -15.613
tors. eta vs tors. theta energy: -34.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -372.853556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.853556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.853556 (E_RNA)
where:
Base-Base interactions energy: -265.115
where: short stacking energy: -105.609
Base-Backbone interact. energy: -0.161
local terms energy: -107.577869
where:
bonds (distance) C4'-P energy: -19.967
bonds (distance) P-C4' energy: -17.640
flat angles C4'-P-C4' energy: -18.820
flat angles P-C4'-P energy: -17.223
tors. eta vs tors. theta energy: -33.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -367.695767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.695767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.695767 (E_RNA)
where:
Base-Base interactions energy: -263.972
where: short stacking energy: -108.163
Base-Backbone interact. energy: -0.048
local terms energy: -103.676614
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -20.878
flat angles C4'-P-C4' energy: -24.984
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -34.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -361.964605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.964605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.964605 (E_RNA)
where:
Base-Base interactions energy: -255.282
where: short stacking energy: -97.678
Base-Backbone interact. energy: -1.360
local terms energy: -105.322260
where:
bonds (distance) C4'-P energy: -21.876
bonds (distance) P-C4' energy: -21.521
flat angles C4'-P-C4' energy: -18.795
flat angles P-C4'-P energy: -18.118
tors. eta vs tors. theta energy: -25.013
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: 3
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -242.915719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.915719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.915719 (E_RNA)
where:
Base-Base interactions energy: -149.014
where: short stacking energy: -64.845
Base-Backbone interact. energy: -0.069
local terms energy: -93.832822
where:
bonds (distance) C4'-P energy: -23.703
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -15.084
tors. eta vs tors. theta energy: -21.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -129.142898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.142898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.142898 (E_RNA)
where:
Base-Base interactions energy: -46.713
where: short stacking energy: -38.781
Base-Backbone interact. energy: -0.034
local terms energy: -82.395468
where:
bonds (distance) C4'-P energy: -24.355
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -18.503
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -5.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -198.322975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.322975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.322975 (E_RNA)
where:
Base-Base interactions energy: -104.637
where: short stacking energy: -58.118
Base-Backbone interact. energy: -0.214
local terms energy: -93.471660
where:
bonds (distance) C4'-P energy: -21.761
bonds (distance) P-C4' energy: -22.148
flat angles C4'-P-C4' energy: -22.517
flat angles P-C4'-P energy: -15.940
tors. eta vs tors. theta energy: -11.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -111.732636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.732636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.732636 (E_RNA)
where:
Base-Base interactions energy: -39.211
where: short stacking energy: -38.720
Base-Backbone interact. energy: 0.707
local terms energy: -73.228491
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -20.528
flat angles C4'-P-C4' energy: -20.234
flat angles P-C4'-P energy: -12.253
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: 6
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -391.536286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.536286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.536286 (E_RNA)
where:
Base-Base interactions energy: -275.384
where: short stacking energy: -110.747
Base-Backbone interact. energy: -0.583
local terms energy: -115.569269
where:
bonds (distance) C4'-P energy: -20.460
bonds (distance) P-C4' energy: -19.472
flat angles C4'-P-C4' energy: -21.602
flat angles P-C4'-P energy: -20.330
tors. eta vs tors. theta energy: -33.704
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: 10
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -391.320526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.320526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.320526 (E_RNA)
where:
Base-Base interactions energy: -270.643
where: short stacking energy: -107.443
Base-Backbone interact. energy: -0.344
local terms energy: -120.333513
where:
bonds (distance) C4'-P energy: -20.990
bonds (distance) P-C4' energy: -23.805
flat angles C4'-P-C4' energy: -23.029
flat angles P-C4'-P energy: -16.330
tors. eta vs tors. theta energy: -36.180
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: 3, replica: 2
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -388.396783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.396783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.396783 (E_RNA)
where:
Base-Base interactions energy: -275.579
where: short stacking energy: -114.558
Base-Backbone interact. energy: -0.239
local terms energy: -112.578792
where:
bonds (distance) C4'-P energy: -20.839
bonds (distance) P-C4' energy: -17.895
flat angles C4'-P-C4' energy: -21.922
flat angles P-C4'-P energy: -17.175
tors. eta vs tors. theta energy: -34.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -383.346531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.346531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.346531 (E_RNA)
where:
Base-Base interactions energy: -272.373
where: short stacking energy: -113.923
Base-Backbone interact. energy: -0.160
local terms energy: -110.813626
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -21.160
flat angles C4'-P-C4' energy: -24.126
flat angles P-C4'-P energy: -15.097
tors. eta vs tors. theta energy: -32.566
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: 9
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -372.930057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.930057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.930057 (E_RNA)
where:
Base-Base interactions energy: -265.962
where: short stacking energy: -109.823
Base-Backbone interact. energy: 0.312
local terms energy: -107.279536
where:
bonds (distance) C4'-P energy: -20.002
bonds (distance) P-C4' energy: -19.524
flat angles C4'-P-C4' energy: -20.580
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -33.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -371.295661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.295661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.295661 (E_RNA)
where:
Base-Base interactions energy: -262.348
where: short stacking energy: -97.362
Base-Backbone interact. energy: -0.251
local terms energy: -108.696798
where:
bonds (distance) C4'-P energy: -21.274
bonds (distance) P-C4' energy: -18.994
flat angles C4'-P-C4' energy: -21.464
flat angles P-C4'-P energy: -17.544
tors. eta vs tors. theta energy: -29.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -198.433206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.433206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.433206 (E_RNA)
where:
Base-Base interactions energy: -119.968
where: short stacking energy: -55.221
Base-Backbone interact. energy: -0.349
local terms energy: -78.116641
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -23.285
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -9.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -111.344100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.344100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.344100 (E_RNA)
where:
Base-Base interactions energy: -41.356
where: short stacking energy: -34.390
Base-Backbone interact. energy: 0.887
local terms energy: -70.874780
where:
bonds (distance) C4'-P energy: -19.707
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -21.509
flat angles P-C4'-P energy: -14.301
tors. eta vs tors. theta energy: -2.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -254.195293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.195293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.195293 (E_RNA)
where:
Base-Base interactions energy: -166.260
where: short stacking energy: -72.253
Base-Backbone interact. energy: -0.205
local terms energy: -87.730672
where:
bonds (distance) C4'-P energy: -19.769
bonds (distance) P-C4' energy: -21.201
flat angles C4'-P-C4' energy: -23.183
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: -17.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -106.662611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.662611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.662611 (E_RNA)
where:
Base-Base interactions energy: -37.308
where: short stacking energy: -37.363
Base-Backbone interact. energy: -0.263
local terms energy: -69.092208
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -4.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -389.969090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.969090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.969090 (E_RNA)
where:
Base-Base interactions energy: -281.522
where: short stacking energy: -112.317
Base-Backbone interact. energy: -0.009
local terms energy: -108.438161
where:
bonds (distance) C4'-P energy: -18.146
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -26.006
flat angles P-C4'-P energy: -15.385
tors. eta vs tors. theta energy: -34.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -383.457767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.457767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.457767 (E_RNA)
where:
Base-Base interactions energy: -269.062
where: short stacking energy: -108.892
Base-Backbone interact. energy: -0.046
local terms energy: -114.349675
where:
bonds (distance) C4'-P energy: -19.342
bonds (distance) P-C4' energy: -21.534
flat angles C4'-P-C4' energy: -22.431
flat angles P-C4'-P energy: -16.804
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: 3, replica: 10
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -378.510815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.510815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.510815 (E_RNA)
where:
Base-Base interactions energy: -262.732
where: short stacking energy: -106.296
Base-Backbone interact. energy: -0.002
local terms energy: -115.776625
where:
bonds (distance) C4'-P energy: -19.492
bonds (distance) P-C4' energy: -20.156
flat angles C4'-P-C4' energy: -24.039
flat angles P-C4'-P energy: -16.327
tors. eta vs tors. theta energy: -35.762
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: 9
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -384.316892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.316892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.316892 (E_RNA)
where:
Base-Base interactions energy: -271.962
where: short stacking energy: -110.198
Base-Backbone interact. energy: -0.002
local terms energy: -112.353020
where:
bonds (distance) C4'-P energy: -18.906
bonds (distance) P-C4' energy: -21.267
flat angles C4'-P-C4' energy: -24.063
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: -34.616
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: 8
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -372.616887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.616887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.616887 (E_RNA)
where:
Base-Base interactions energy: -263.290
where: short stacking energy: -107.073
Base-Backbone interact. energy: -0.134
local terms energy: -109.192536
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -20.811
flat angles C4'-P-C4' energy: -19.689
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -36.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -360.382487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.382487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.382487 (E_RNA)
where:
Base-Base interactions energy: -261.701
where: short stacking energy: -103.511
Base-Backbone interact. energy: -0.228
local terms energy: -98.453015
where:
bonds (distance) C4'-P energy: -21.000
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -22.499
flat angles P-C4'-P energy: -12.968
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: 7, replica: 3
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -207.295335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.295335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.295335 (E_RNA)
where:
Base-Base interactions energy: -136.028
where: short stacking energy: -63.597
Base-Backbone interact. energy: -0.232
local terms energy: -71.034854
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -19.187
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: -15.681
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: 7
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -237.804919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.804919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.804919 (E_RNA)
where:
Base-Base interactions energy: -156.280
where: short stacking energy: -68.758
Base-Backbone interact. energy: -0.748
local terms energy: -80.777447
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -21.803
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -16.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -98.054177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.054177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.054177 (E_RNA)
where:
Base-Base interactions energy: -35.500
where: short stacking energy: -35.500
Base-Backbone interact. energy: 0.659
local terms energy: -63.212817
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: 3.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -129.761951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.761951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.761951 (E_RNA)
where:
Base-Base interactions energy: -79.330
where: short stacking energy: -41.073
Base-Backbone interact. energy: -2.034
local terms energy: -48.397736
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -6.233
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: 0.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -390.641716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.641716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.641716 (E_RNA)
where:
Base-Base interactions energy: -270.510
where: short stacking energy: -110.684
Base-Backbone interact. energy: -0.160
local terms energy: -119.971189
where:
bonds (distance) C4'-P energy: -24.001
bonds (distance) P-C4' energy: -22.151
flat angles C4'-P-C4' energy: -23.444
flat angles P-C4'-P energy: -15.077
tors. eta vs tors. theta energy: -35.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -387.518854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.518854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.518854 (E_RNA)
where:
Base-Base interactions energy: -277.006
where: short stacking energy: -111.618
Base-Backbone interact. energy: -0.003
local terms energy: -110.509773
where:
bonds (distance) C4'-P energy: -18.137
bonds (distance) P-C4' energy: -24.650
flat angles C4'-P-C4' energy: -25.559
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -32.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -383.596275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.596275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.596275 (E_RNA)
where:
Base-Base interactions energy: -268.119
where: short stacking energy: -106.096
Base-Backbone interact. energy: -0.314
local terms energy: -115.162764
where:
bonds (distance) C4'-P energy: -20.242
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -22.736
flat angles P-C4'-P energy: -16.566
tors. eta vs tors. theta energy: -35.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -373.975638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.975638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.975638 (E_RNA)
where:
Base-Base interactions energy: -263.739
where: short stacking energy: -105.174
Base-Backbone interact. energy: -0.333
local terms energy: -109.903330
where:
bonds (distance) C4'-P energy: -19.708
bonds (distance) P-C4' energy: -21.275
flat angles C4'-P-C4' energy: -24.281
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: -31.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -356.881602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.881602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.881602 (E_RNA)
where:
Base-Base interactions energy: -270.872
where: short stacking energy: -96.424
Base-Backbone interact. energy: -0.574
local terms energy: -85.435801
where:
bonds (distance) C4'-P energy: -21.922
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -19.617
flat angles P-C4'-P energy: -2.780
tors. eta vs tors. theta energy: -26.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -365.625124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.625124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.625124 (E_RNA)
where:
Base-Base interactions energy: -268.060
where: short stacking energy: -110.086
Base-Backbone interact. energy: -0.007
local terms energy: -97.557544
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -20.644
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -31.558
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: 7
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -289.391415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.391415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.391415 (E_RNA)
where:
Base-Base interactions energy: -199.256
where: short stacking energy: -89.963
Base-Backbone interact. energy: -0.008
local terms energy: -90.127929
where:
bonds (distance) C4'-P energy: -17.752
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -13.556
tors. eta vs tors. theta energy: -24.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -189.962083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.962083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.962083 (E_RNA)
where:
Base-Base interactions energy: -124.222
where: short stacking energy: -48.230
Base-Backbone interact. energy: 4.023
local terms energy: -69.762431
where:
bonds (distance) C4'-P energy: -20.371
bonds (distance) P-C4' energy: -10.293
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -17.414
tors. eta vs tors. theta energy: -8.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -118.368186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.368186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.368186 (E_RNA)
where:
Base-Base interactions energy: -48.873
where: short stacking energy: -41.239
Base-Backbone interact. energy: -0.110
local terms energy: -69.385226
where:
bonds (distance) C4'-P energy: -18.549
bonds (distance) P-C4' energy: -21.856
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -3.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -96.844072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.844072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.844072 (E_RNA)
where:
Base-Base interactions energy: -27.412
where: short stacking energy: -26.692
Base-Backbone interact. energy: -0.455
local terms energy: -68.977152
where:
bonds (distance) C4'-P energy: -19.873
bonds (distance) P-C4' energy: -22.295
flat angles C4'-P-C4' energy: -22.407
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: 7.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -390.815912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.815912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.815912 (E_RNA)
where:
Base-Base interactions energy: -283.633
where: short stacking energy: -113.008
Base-Backbone interact. energy: -0.614
local terms energy: -106.569566
where:
bonds (distance) C4'-P energy: -19.906
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -24.533
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -33.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -390.180669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.180669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.180669 (E_RNA)
where:
Base-Base interactions energy: -272.999
where: short stacking energy: -111.518
Base-Backbone interact. energy: -0.662
local terms energy: -116.519680
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -21.334
flat angles C4'-P-C4' energy: -23.057
flat angles P-C4'-P energy: -18.742
tors. eta vs tors. theta energy: -35.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -379.602727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.602727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.602727 (E_RNA)
where:
Base-Base interactions energy: -260.729
where: short stacking energy: -105.715
Base-Backbone interact. energy: -0.011
local terms energy: -118.862491
where:
bonds (distance) C4'-P energy: -24.114
bonds (distance) P-C4' energy: -21.121
flat angles C4'-P-C4' energy: -27.099
flat angles P-C4'-P energy: -17.051
tors. eta vs tors. theta energy: -29.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -374.103063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.103063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.103063 (E_RNA)
where:
Base-Base interactions energy: -260.140
where: short stacking energy: -98.607
Base-Backbone interact. energy: -0.078
local terms energy: -113.884928
where:
bonds (distance) C4'-P energy: -22.250
bonds (distance) P-C4' energy: -20.354
flat angles C4'-P-C4' energy: -25.140
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: -28.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -367.895642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.895642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.895642 (E_RNA)
where:
Base-Base interactions energy: -258.837
where: short stacking energy: -100.801
Base-Backbone interact. energy: 1.659
local terms energy: -110.717047
where:
bonds (distance) C4'-P energy: -24.549
bonds (distance) P-C4' energy: -18.527
flat angles C4'-P-C4' energy: -22.898
flat angles P-C4'-P energy: -15.622
tors. eta vs tors. theta energy: -29.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -286.749562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.749562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.749562 (E_RNA)
where:
Base-Base interactions energy: -191.046
where: short stacking energy: -80.104
Base-Backbone interact. energy: -0.083
local terms energy: -95.620149
where:
bonds (distance) C4'-P energy: -21.691
bonds (distance) P-C4' energy: -19.050
flat angles C4'-P-C4' energy: -19.429
flat angles P-C4'-P energy: -13.653
tors. eta vs tors. theta energy: -21.797
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: 8
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -337.194956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.194956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.194956 (E_RNA)
where:
Base-Base interactions energy: -241.437
where: short stacking energy: -90.606
Base-Backbone interact. energy: -0.045
local terms energy: -95.713731
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -18.124
flat angles C4'-P-C4' energy: -20.725
flat angles P-C4'-P energy: -16.570
tors. eta vs tors. theta energy: -24.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -193.384544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.384544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.384544 (E_RNA)
where:
Base-Base interactions energy: -108.135
where: short stacking energy: -58.053
Base-Backbone interact. energy: -0.833
local terms energy: -84.415966
where:
bonds (distance) C4'-P energy: -22.816
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -21.615
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -13.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -113.302474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.302474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.302474 (E_RNA)
where:
Base-Base interactions energy: -44.228
where: short stacking energy: -28.443
Base-Backbone interact. energy: -0.183
local terms energy: -68.890878
where:
bonds (distance) C4'-P energy: -20.064
bonds (distance) P-C4' energy: -19.132
flat angles C4'-P-C4' energy: -19.328
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: 2.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -103.494253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.494253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.494253 (E_RNA)
where:
Base-Base interactions energy: -39.411
where: short stacking energy: -38.748
Base-Backbone interact. energy: 0.824
local terms energy: -64.907482
where:
bonds (distance) C4'-P energy: -17.085
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -3.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -398.168794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.168794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.168794 (E_RNA)
where:
Base-Base interactions energy: -279.696
where: short stacking energy: -115.493
Base-Backbone interact. energy: -0.247
local terms energy: -118.225992
where:
bonds (distance) C4'-P energy: -22.295
bonds (distance) P-C4' energy: -22.818
flat angles C4'-P-C4' energy: -24.712
flat angles P-C4'-P energy: -15.049
tors. eta vs tors. theta energy: -33.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -394.616712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.616712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.616712 (E_RNA)
where:
Base-Base interactions energy: -283.403
where: short stacking energy: -113.565
Base-Backbone interact. energy: -0.092
local terms energy: -111.121211
where:
bonds (distance) C4'-P energy: -17.235
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -25.745
flat angles P-C4'-P energy: -14.137
tors. eta vs tors. theta energy: -34.472
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: 422
Temperature: 1.000000
Total energy: -376.728824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.728824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.728824 (E_RNA)
where:
Base-Base interactions energy: -272.312
where: short stacking energy: -105.173
Base-Backbone interact. energy: -0.164
local terms energy: -104.252275
where:
bonds (distance) C4'-P energy: -19.935
bonds (distance) P-C4' energy: -17.708
flat angles C4'-P-C4' energy: -21.356
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -31.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -376.620321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.620321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.620321 (E_RNA)
where:
Base-Base interactions energy: -269.306
where: short stacking energy: -103.528
Base-Backbone interact. energy: 1.253
local terms energy: -108.567871
where:
bonds (distance) C4'-P energy: -19.339
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -19.817
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -33.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -348.750032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.750032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.750032 (E_RNA)
where:
Base-Base interactions energy: -258.961
where: short stacking energy: -111.129
Base-Backbone interact. energy: -0.234
local terms energy: -89.555079
where:
bonds (distance) C4'-P energy: -8.883
bonds (distance) P-C4' energy: -18.141
flat angles C4'-P-C4' energy: -19.300
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -27.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -325.932826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.932826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.932826 (E_RNA)
where:
Base-Base interactions energy: -219.694
where: short stacking energy: -93.921
Base-Backbone interact. energy: -0.588
local terms energy: -105.651005
where:
bonds (distance) C4'-P energy: -20.909
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -23.399
flat angles P-C4'-P energy: -14.435
tors. eta vs tors. theta energy: -30.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -319.730793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.730793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.730793 (E_RNA)
where:
Base-Base interactions energy: -218.227
where: short stacking energy: -89.221
Base-Backbone interact. energy: 0.544
local terms energy: -102.047077
where:
bonds (distance) C4'-P energy: -20.003
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -20.303
flat angles P-C4'-P energy: -17.113
tors. eta vs tors. theta energy: -26.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -213.187990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.187990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.187990 (E_RNA)
where:
Base-Base interactions energy: -138.804
where: short stacking energy: -60.587
Base-Backbone interact. energy: -0.066
local terms energy: -74.318611
where:
bonds (distance) C4'-P energy: -20.079
bonds (distance) P-C4' energy: -20.375
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -5.062
tors. eta vs tors. theta energy: -15.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -106.512524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.512524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.512524 (E_RNA)
where:
Base-Base interactions energy: -37.979
where: short stacking energy: -27.875
Base-Backbone interact. energy: -0.662
local terms energy: -67.871329
where:
bonds (distance) C4'-P energy: -20.644
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -5.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -99.409939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.409939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.409939 (E_RNA)
where:
Base-Base interactions energy: -29.323
where: short stacking energy: -27.581
Base-Backbone interact. energy: -0.152
local terms energy: -69.934620
where:
bonds (distance) C4'-P energy: -21.202
bonds (distance) P-C4' energy: -21.484
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -4.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -392.232263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.232263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.232263 (E_RNA)
where:
Base-Base interactions energy: -278.699
where: short stacking energy: -113.012
Base-Backbone interact. energy: -0.002
local terms energy: -113.530653
where:
bonds (distance) C4'-P energy: -22.804
bonds (distance) P-C4' energy: -22.427
flat angles C4'-P-C4' energy: -20.995
flat angles P-C4'-P energy: -18.431
tors. eta vs tors. theta energy: -28.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -381.123780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.123780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.123780 (E_RNA)
where:
Base-Base interactions energy: -272.853
where: short stacking energy: -111.663
Base-Backbone interact. energy: -0.192
local terms energy: -108.078852
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -21.290
flat angles C4'-P-C4' energy: -24.467
flat angles P-C4'-P energy: -13.693
tors. eta vs tors. theta energy: -31.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -385.840266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.840266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.840266 (E_RNA)
where:
Base-Base interactions energy: -266.474
where: short stacking energy: -107.658
Base-Backbone interact. energy: -0.090
local terms energy: -119.276635
where:
bonds (distance) C4'-P energy: -22.584
bonds (distance) P-C4' energy: -23.584
flat angles C4'-P-C4' energy: -22.453
flat angles P-C4'-P energy: -15.525
tors. eta vs tors. theta energy: -35.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -356.480170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.480170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.480170 (E_RNA)
where:
Base-Base interactions energy: -257.253
where: short stacking energy: -103.399
Base-Backbone interact. energy: -0.202
local terms energy: -99.025710
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -22.232
flat angles C4'-P-C4' energy: -22.323
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -25.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -372.299850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.299850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.299850 (E_RNA)
where:
Base-Base interactions energy: -263.139
where: short stacking energy: -102.390
Base-Backbone interact. energy: -0.576
local terms energy: -108.585075
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -22.751
flat angles P-C4'-P energy: -20.044
tors. eta vs tors. theta energy: -34.430
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: 6, replica: 7
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -340.775708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.775708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.775708 (E_RNA)
where:
Base-Base interactions energy: -236.721
where: short stacking energy: -95.699
Base-Backbone interact. energy: -0.213
local terms energy: -103.841430
where:
bonds (distance) C4'-P energy: -18.485
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -24.291
flat angles P-C4'-P energy: -15.568
tors. eta vs tors. theta energy: -26.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -330.989283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.989283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.989283 (E_RNA)
where:
Base-Base interactions energy: -236.216
where: short stacking energy: -99.286
Base-Backbone interact. energy: 0.602
local terms energy: -95.374462
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -17.860
flat angles C4'-P-C4' energy: -22.130
flat angles P-C4'-P energy: -15.000
tors. eta vs tors. theta energy: -24.382
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: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -233.755817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.755817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.755817 (E_RNA)
where:
Base-Base interactions energy: -142.056
where: short stacking energy: -64.680
Base-Backbone interact. energy: -0.031
local terms energy: -91.668555
where:
bonds (distance) C4'-P energy: -19.506
bonds (distance) P-C4' energy: -22.317
flat angles C4'-P-C4' energy: -22.154
flat angles P-C4'-P energy: -11.893
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: 9, replica: 4
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -127.049666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.049666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.049666 (E_RNA)
where:
Base-Base interactions energy: -55.924
where: short stacking energy: -33.956
Base-Backbone interact. energy: 0.006
local terms energy: -71.131867
where:
bonds (distance) C4'-P energy: -18.930
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -18.525
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -8.114
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: 1
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -104.134798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.134798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.134798 (E_RNA)
where:
Base-Base interactions energy: -35.159
where: short stacking energy: -24.572
Base-Backbone interact. energy: 1.443
local terms energy: -70.418329
where:
bonds (distance) C4'-P energy: -20.411
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -8.229
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: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -396.329287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.329287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.329287 (E_RNA)
where:
Base-Base interactions energy: -274.680
where: short stacking energy: -114.747
Base-Backbone interact. energy: -0.008
local terms energy: -121.640753
where:
bonds (distance) C4'-P energy: -22.254
bonds (distance) P-C4' energy: -22.039
flat angles C4'-P-C4' energy: -26.558
flat angles P-C4'-P energy: -17.776
tors. eta vs tors. theta energy: -33.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -376.919741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.919741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.919741 (E_RNA)
where:
Base-Base interactions energy: -264.996
where: short stacking energy: -104.768
Base-Backbone interact. energy: -0.416
local terms energy: -111.507313
where:
bonds (distance) C4'-P energy: -20.882
bonds (distance) P-C4' energy: -22.461
flat angles C4'-P-C4' energy: -18.777
flat angles P-C4'-P energy: -18.541
tors. eta vs tors. theta energy: -30.845
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: 6
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -381.171144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.171144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.171144 (E_RNA)
where:
Base-Base interactions energy: -262.898
where: short stacking energy: -107.769
Base-Backbone interact. energy: -0.010
local terms energy: -118.262417
where:
bonds (distance) C4'-P energy: -24.974
bonds (distance) P-C4' energy: -21.618
flat angles C4'-P-C4' energy: -21.571
flat angles P-C4'-P energy: -16.064
tors. eta vs tors. theta energy: -34.035
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: 424
Temperature: 1.050000
Total energy: -357.478591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.478591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.478591 (E_RNA)
where:
Base-Base interactions energy: -242.812
where: short stacking energy: -97.785
Base-Backbone interact. energy: 1.559
local terms energy: -116.226412
where:
bonds (distance) C4'-P energy: -21.095
bonds (distance) P-C4' energy: -24.194
flat angles C4'-P-C4' energy: -24.481
flat angles P-C4'-P energy: -16.439
tors. eta vs tors. theta energy: -30.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -387.287469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.287469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.287469 (E_RNA)
where:
Base-Base interactions energy: -268.718
where: short stacking energy: -111.321
Base-Backbone interact. energy: -0.000
local terms energy: -118.568775
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -21.429
flat angles C4'-P-C4' energy: -24.120
flat angles P-C4'-P energy: -19.373
tors. eta vs tors. theta energy: -35.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -337.608007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.608007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.608007 (E_RNA)
where:
Base-Base interactions energy: -250.059
where: short stacking energy: -101.059
Base-Backbone interact. energy: -0.128
local terms energy: -87.420988
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -27.684
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: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -359.081363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.081363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.081363 (E_RNA)
where:
Base-Base interactions energy: -260.667
where: short stacking energy: -102.127
Base-Backbone interact. energy: 0.584
local terms energy: -98.997588
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -23.404
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -29.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -218.467267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.467267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.467267 (E_RNA)
where:
Base-Base interactions energy: -143.780
where: short stacking energy: -60.059
Base-Backbone interact. energy: 0.442
local terms energy: -75.129100
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -15.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -109.352323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.352323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.352323 (E_RNA)
where:
Base-Base interactions energy: -30.786
where: short stacking energy: -27.014
Base-Backbone interact. energy: -0.449
local terms energy: -78.117963
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -23.015
flat angles C4'-P-C4' energy: -19.699
flat angles P-C4'-P energy: -17.145
tors. eta vs tors. theta energy: -4.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -116.172461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.172461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.172461 (E_RNA)
where:
Base-Base interactions energy: -56.976
where: short stacking energy: -38.708
Base-Backbone interact. energy: 1.100
local terms energy: -60.296404
where:
bonds (distance) C4'-P energy: -9.461
bonds (distance) P-C4' energy: -20.429
flat angles C4'-P-C4' energy: -19.008
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -3.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -393.152836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.152836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.152836 (E_RNA)
where:
Base-Base interactions energy: -273.850
where: short stacking energy: -109.988
Base-Backbone interact. energy: -0.280
local terms energy: -119.022833
where:
bonds (distance) C4'-P energy: -20.897
bonds (distance) P-C4' energy: -20.775
flat angles C4'-P-C4' energy: -25.560
flat angles P-C4'-P energy: -18.403
tors. eta vs tors. theta energy: -33.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -384.452059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.452059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.452059 (E_RNA)
where:
Base-Base interactions energy: -264.332
where: short stacking energy: -102.184
Base-Backbone interact. energy: 0.223
local terms energy: -120.342307
where:
bonds (distance) C4'-P energy: -23.843
bonds (distance) P-C4' energy: -24.889
flat angles C4'-P-C4' energy: -21.694
flat angles P-C4'-P energy: -18.324
tors. eta vs tors. theta energy: -31.593
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: 5
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -373.202538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.202538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.202538 (E_RNA)
where:
Base-Base interactions energy: -269.291
where: short stacking energy: -103.498
Base-Backbone interact. energy: -0.107
local terms energy: -103.804278
where:
bonds (distance) C4'-P energy: -20.581
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -20.851
flat angles P-C4'-P energy: -14.578
tors. eta vs tors. theta energy: -30.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -371.045691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.045691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.045691 (E_RNA)
where:
Base-Base interactions energy: -261.811
where: short stacking energy: -103.594
Base-Backbone interact. energy: -0.003
local terms energy: -109.231753
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -21.857
flat angles C4'-P-C4' energy: -22.099
flat angles P-C4'-P energy: -15.681
tors. eta vs tors. theta energy: -31.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -349.937583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.937583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.937583 (E_RNA)
where:
Base-Base interactions energy: -239.231
where: short stacking energy: -95.505
Base-Backbone interact. energy: -0.385
local terms energy: -110.321210
where:
bonds (distance) C4'-P energy: -21.517
bonds (distance) P-C4' energy: -19.541
flat angles C4'-P-C4' energy: -21.278
flat angles P-C4'-P energy: -16.625
tors. eta vs tors. theta energy: -31.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -350.990694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.990694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.990694 (E_RNA)
where:
Base-Base interactions energy: -239.424
where: short stacking energy: -99.897
Base-Backbone interact. energy: -0.032
local terms energy: -111.535265
where:
bonds (distance) C4'-P energy: -20.147
bonds (distance) P-C4' energy: -21.500
flat angles C4'-P-C4' energy: -22.547
flat angles P-C4'-P energy: -15.693
tors. eta vs tors. theta energy: -31.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -334.976682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.976682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.976682 (E_RNA)
where:
Base-Base interactions energy: -241.254
where: short stacking energy: -99.603
Base-Backbone interact. energy: 0.125
local terms energy: -93.848497
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -18.134
flat angles C4'-P-C4' energy: -18.911
flat angles P-C4'-P energy: -15.203
tors. eta vs tors. theta energy: -27.225
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: 425
Temperature: 1.250000
Total energy: -204.553740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.553740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.553740 (E_RNA)
where:
Base-Base interactions energy: -116.429
where: short stacking energy: -60.748
Base-Backbone interact. energy: -1.412
local terms energy: -86.712430
where:
bonds (distance) C4'-P energy: -18.686
bonds (distance) P-C4' energy: -17.848
flat angles C4'-P-C4' energy: -21.604
flat angles P-C4'-P energy: -15.818
tors. eta vs tors. theta energy: -12.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -108.200206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.200206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.200206 (E_RNA)
where:
Base-Base interactions energy: -46.529
where: short stacking energy: -41.313
Base-Backbone interact. energy: -0.058
local terms energy: -61.612566
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -10.329
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -10.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -104.586683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.586683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.586683 (E_RNA)
where:
Base-Base interactions energy: -50.912
where: short stacking energy: -35.898
Base-Backbone interact. energy: 0.003
local terms energy: -53.677523
where:
bonds (distance) C4'-P energy: -18.259
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -6.279
flat angles P-C4'-P energy: -4.855
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: 1, replica: 6
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -393.090949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.090949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.090949 (E_RNA)
where:
Base-Base interactions energy: -271.222
where: short stacking energy: -114.223
Base-Backbone interact. energy: -0.240
local terms energy: -121.628318
where:
bonds (distance) C4'-P energy: -20.259
bonds (distance) P-C4' energy: -25.761
flat angles C4'-P-C4' energy: -22.670
flat angles P-C4'-P energy: -18.678
tors. eta vs tors. theta energy: -34.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -385.652217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.652217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.652217 (E_RNA)
where:
Base-Base interactions energy: -274.007
where: short stacking energy: -105.622
Base-Backbone interact. energy: -0.376
local terms energy: -111.269689
where:
bonds (distance) C4'-P energy: -19.123
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -25.093
flat angles P-C4'-P energy: -15.310
tors. eta vs tors. theta energy: -31.159
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: 3, replica: 5
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -376.440042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.440042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.440042 (E_RNA)
where:
Base-Base interactions energy: -271.594
where: short stacking energy: -99.364
Base-Backbone interact. energy: -0.512
local terms energy: -104.334033
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -24.204
flat angles C4'-P-C4' energy: -26.813
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -26.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -377.793169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.793169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.793169 (E_RNA)
where:
Base-Base interactions energy: -266.986
where: short stacking energy: -98.376
Base-Backbone interact. energy: -0.085
local terms energy: -110.722959
where:
bonds (distance) C4'-P energy: -23.081
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -26.096
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -29.727
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: 10
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -354.557089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.557089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.557089 (E_RNA)
where:
Base-Base interactions energy: -244.336
where: short stacking energy: -106.098
Base-Backbone interact. energy: -0.021
local terms energy: -110.200879
where:
bonds (distance) C4'-P energy: -21.576
bonds (distance) P-C4' energy: -21.992
flat angles C4'-P-C4' energy: -23.030
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -31.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -347.667402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.667402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.667402 (E_RNA)
where:
Base-Base interactions energy: -244.623
where: short stacking energy: -89.624
Base-Backbone interact. energy: -0.097
local terms energy: -102.947520
where:
bonds (distance) C4'-P energy: -18.780
bonds (distance) P-C4' energy: -23.041
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -15.636
tors. eta vs tors. theta energy: -28.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -327.842340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.842340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.842340 (E_RNA)
where:
Base-Base interactions energy: -239.200
where: short stacking energy: -97.479
Base-Backbone interact. energy: -0.050
local terms energy: -88.592154
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -29.088
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: 3
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -192.467565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.467565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.467565 (E_RNA)
where:
Base-Base interactions energy: -110.335
where: short stacking energy: -49.161
Base-Backbone interact. energy: -0.359
local terms energy: -81.773332
where:
bonds (distance) C4'-P energy: -20.696
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -19.983
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -10.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -112.571225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.571225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.571225 (E_RNA)
where:
Base-Base interactions energy: -39.473
where: short stacking energy: -30.594
Base-Backbone interact. energy: -0.773
local terms energy: -72.325276
where:
bonds (distance) C4'-P energy: -23.463
bonds (distance) P-C4' energy: -20.274
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -0.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -102.684488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.684488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.684488 (E_RNA)
where:
Base-Base interactions energy: -42.403
where: short stacking energy: -29.887
Base-Backbone interact. energy: -0.785
local terms energy: -59.496952
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -17.937
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -1.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -394.800704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.800704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.800704 (E_RNA)
where:
Base-Base interactions energy: -277.001
where: short stacking energy: -114.714
Base-Backbone interact. energy: -0.468
local terms energy: -117.331760
where:
bonds (distance) C4'-P energy: -21.316
bonds (distance) P-C4' energy: -23.574
flat angles C4'-P-C4' energy: -24.132
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -36.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -387.002720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.002720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.002720 (E_RNA)
where:
Base-Base interactions energy: -275.967
where: short stacking energy: -106.065
Base-Backbone interact. energy: -0.202
local terms energy: -110.833020
where:
bonds (distance) C4'-P energy: -22.478
bonds (distance) P-C4' energy: -23.390
flat angles C4'-P-C4' energy: -19.400
flat angles P-C4'-P energy: -20.274
tors. eta vs tors. theta energy: -25.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -388.301730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.301730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.301730 (E_RNA)
where:
Base-Base interactions energy: -274.676
where: short stacking energy: -104.250
Base-Backbone interact. energy: -0.169
local terms energy: -113.456837
where:
bonds (distance) C4'-P energy: -20.200
bonds (distance) P-C4' energy: -21.365
flat angles C4'-P-C4' energy: -25.336
flat angles P-C4'-P energy: -13.353
tors. eta vs tors. theta energy: -33.203
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: 9
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -378.932521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.932521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.932521 (E_RNA)
where:
Base-Base interactions energy: -267.557
where: short stacking energy: -99.847
Base-Backbone interact. energy: -0.221
local terms energy: -111.154551
where:
bonds (distance) C4'-P energy: -19.103
bonds (distance) P-C4' energy: -25.111
flat angles C4'-P-C4' energy: -18.809
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -33.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -336.179521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.179521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.179521 (E_RNA)
where:
Base-Base interactions energy: -235.428
where: short stacking energy: -101.913
Base-Backbone interact. energy: -0.695
local terms energy: -100.056756
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -18.875
flat angles C4'-P-C4' energy: -22.856
flat angles P-C4'-P energy: -15.650
tors. eta vs tors. theta energy: -31.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -350.403760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.403760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.403760 (E_RNA)
where:
Base-Base interactions energy: -245.441
where: short stacking energy: -98.741
Base-Backbone interact. energy: -0.351
local terms energy: -104.611662
where:
bonds (distance) C4'-P energy: -17.406
bonds (distance) P-C4' energy: -19.636
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -18.345
tors. eta vs tors. theta energy: -31.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -360.787891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.787891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.787891 (E_RNA)
where:
Base-Base interactions energy: -258.793
where: short stacking energy: -100.226
Base-Backbone interact. energy: -0.143
local terms energy: -101.851549
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -14.481
flat angles C4'-P-C4' energy: -24.569
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -35.665
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: 3
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -184.415123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.415123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.415123 (E_RNA)
where:
Base-Base interactions energy: -106.081
where: short stacking energy: -59.785
Base-Backbone interact. energy: 0.732
local terms energy: -79.066921
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -22.589
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -13.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -120.606250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.606250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.606250 (E_RNA)
where:
Base-Base interactions energy: -46.203
where: short stacking energy: -44.645
Base-Backbone interact. energy: 0.241
local terms energy: -74.644547
where:
bonds (distance) C4'-P energy: -18.204
bonds (distance) P-C4' energy: -19.713
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -7.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -102.499759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.499759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.499759 (E_RNA)
where:
Base-Base interactions energy: -41.101
where: short stacking energy: -33.108
Base-Backbone interact. energy: -0.669
local terms energy: -60.730260
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -20.126
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: 1.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -396.193811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.193811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.193811 (E_RNA)
where:
Base-Base interactions energy: -279.286
where: short stacking energy: -120.643
Base-Backbone interact. energy: -0.721
local terms energy: -116.186933
where:
bonds (distance) C4'-P energy: -23.644
bonds (distance) P-C4' energy: -20.753
flat angles C4'-P-C4' energy: -23.247
flat angles P-C4'-P energy: -15.285
tors. eta vs tors. theta energy: -33.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -379.300888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.300888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.300888 (E_RNA)
where:
Base-Base interactions energy: -271.768
where: short stacking energy: -99.710
Base-Backbone interact. energy: -0.095
local terms energy: -107.437843
where:
bonds (distance) C4'-P energy: -20.113
bonds (distance) P-C4' energy: -23.406
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -18.683
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: 3, replica: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -380.927612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.927612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.927612 (E_RNA)
where:
Base-Base interactions energy: -273.892
where: short stacking energy: -110.199
Base-Backbone interact. energy: -0.063
local terms energy: -106.972802
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -23.282
flat angles C4'-P-C4' energy: -23.782
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -35.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -378.300423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.300423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.300423 (E_RNA)
where:
Base-Base interactions energy: -267.036
where: short stacking energy: -105.002
Base-Backbone interact. energy: -0.116
local terms energy: -111.149014
where:
bonds (distance) C4'-P energy: -24.464
bonds (distance) P-C4' energy: -23.355
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -10.212
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: 5, replica: 7
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -360.715769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.715769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.715769 (E_RNA)
where:
Base-Base interactions energy: -250.817
where: short stacking energy: -108.755
Base-Backbone interact. energy: -0.240
local terms energy: -109.658226
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -21.748
flat angles C4'-P-C4' energy: -22.151
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: -32.555
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: 10
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -336.528074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.528074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.528074 (E_RNA)
where:
Base-Base interactions energy: -224.468
where: short stacking energy: -88.331
Base-Backbone interact. energy: -0.591
local terms energy: -111.469391
where:
bonds (distance) C4'-P energy: -17.473
bonds (distance) P-C4' energy: -20.332
flat angles C4'-P-C4' energy: -26.916
flat angles P-C4'-P energy: -17.107
tors. eta vs tors. theta energy: -29.641
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: 8
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -361.415484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.415484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.415484 (E_RNA)
where:
Base-Base interactions energy: -253.618
where: short stacking energy: -96.595
Base-Backbone interact. energy: -0.005
local terms energy: -107.792183
where:
bonds (distance) C4'-P energy: -20.646
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -20.092
flat angles P-C4'-P energy: -14.995
tors. eta vs tors. theta energy: -33.843
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: 3
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -217.260382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.260382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.260382 (E_RNA)
where:
Base-Base interactions energy: -132.994
where: short stacking energy: -63.876
Base-Backbone interact. energy: -0.472
local terms energy: -83.794334
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -21.001
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -15.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -116.329784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.329784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.329784 (E_RNA)
where:
Base-Base interactions energy: -48.680
where: short stacking energy: -32.595
Base-Backbone interact. energy: -0.203
local terms energy: -67.446556
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -20.507
flat angles C4'-P-C4' energy: -19.568
flat angles P-C4'-P energy: -9.925
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: 4
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -97.456196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.456196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.456196 (E_RNA)
where:
Base-Base interactions energy: -37.227
where: short stacking energy: -29.796
Base-Backbone interact. energy: -0.727
local terms energy: -59.502439
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -18.409
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -2.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -392.570798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.570798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.570798 (E_RNA)
where:
Base-Base interactions energy: -274.892
where: short stacking energy: -112.886
Base-Backbone interact. energy: -0.092
local terms energy: -117.586926
where:
bonds (distance) C4'-P energy: -21.621
bonds (distance) P-C4' energy: -21.085
flat angles C4'-P-C4' energy: -27.640
flat angles P-C4'-P energy: -15.317
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: 2, replica: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -382.954192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.954192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.954192 (E_RNA)
where:
Base-Base interactions energy: -273.687
where: short stacking energy: -102.495
Base-Backbone interact. energy: -0.075
local terms energy: -109.192519
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -23.960
flat angles P-C4'-P energy: -16.493
tors. eta vs tors. theta energy: -29.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -382.039546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.039546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.039546 (E_RNA)
where:
Base-Base interactions energy: -271.323
where: short stacking energy: -111.667
Base-Backbone interact. energy: -0.904
local terms energy: -109.812516
where:
bonds (distance) C4'-P energy: -16.884
bonds (distance) P-C4' energy: -19.329
flat angles C4'-P-C4' energy: -23.403
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: -37.052
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: 429
Temperature: 1.050000
Total energy: -356.146215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.146215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.146215 (E_RNA)
where:
Base-Base interactions energy: -253.040
where: short stacking energy: -113.597
Base-Backbone interact. energy: -0.045
local terms energy: -103.061078
where:
bonds (distance) C4'-P energy: -22.266
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -21.200
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -31.660
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: 429
Temperature: 1.100000
Total energy: -374.057248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.057248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.057248 (E_RNA)
where:
Base-Base interactions energy: -270.439
where: short stacking energy: -110.515
Base-Backbone interact. energy: -0.004
local terms energy: -103.614697
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -24.901
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -33.219
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: 6, replica: 8
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -365.611373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.611373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.611373 (E_RNA)
where:
Base-Base interactions energy: -261.202
where: short stacking energy: -105.721
Base-Backbone interact. energy: -0.002
local terms energy: -104.408080
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -18.307
flat angles C4'-P-C4' energy: -25.911
flat angles P-C4'-P energy: -12.883
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: 10
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -339.265082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.265082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.265082 (E_RNA)
where:
Base-Base interactions energy: -235.338
where: short stacking energy: -101.644
Base-Backbone interact. energy: -0.166
local terms energy: -103.761666
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -20.296
flat angles C4'-P-C4' energy: -22.282
flat angles P-C4'-P energy: -18.510
tors. eta vs tors. theta energy: -31.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -203.466681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.466681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.466681 (E_RNA)
where:
Base-Base interactions energy: -120.600
where: short stacking energy: -64.183
Base-Backbone interact. energy: -0.079
local terms energy: -82.787160
where:
bonds (distance) C4'-P energy: -21.947
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -12.136
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: 1
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -113.885135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.885135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.885135 (E_RNA)
where:
Base-Base interactions energy: -42.748
where: short stacking energy: -36.992
Base-Backbone interact. energy: -0.149
local terms energy: -70.988933
where:
bonds (distance) C4'-P energy: -21.261
bonds (distance) P-C4' energy: -21.033
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -4.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -100.480603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.480603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.480603 (E_RNA)
where:
Base-Base interactions energy: -45.083
where: short stacking energy: -32.615
Base-Backbone interact. energy: 1.259
local terms energy: -56.656357
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -3.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -392.232387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.232387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.232387 (E_RNA)
where:
Base-Base interactions energy: -276.032
where: short stacking energy: -112.294
Base-Backbone interact. energy: -0.102
local terms energy: -116.098166
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -25.219
flat angles C4'-P-C4' energy: -22.577
flat angles P-C4'-P energy: -18.083
tors. eta vs tors. theta energy: -34.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -379.608434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.608434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.608434 (E_RNA)
where:
Base-Base interactions energy: -275.995
where: short stacking energy: -107.566
Base-Backbone interact. energy: -0.021
local terms energy: -103.592378
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -22.100
flat angles C4'-P-C4' energy: -22.865
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -28.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -382.075771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.075771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.075771 (E_RNA)
where:
Base-Base interactions energy: -268.281
where: short stacking energy: -111.104
Base-Backbone interact. energy: -0.001
local terms energy: -113.793175
where:
bonds (distance) C4'-P energy: -21.310
bonds (distance) P-C4' energy: -17.881
flat angles C4'-P-C4' energy: -21.330
flat angles P-C4'-P energy: -18.256
tors. eta vs tors. theta energy: -35.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -355.342196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.342196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.342196 (E_RNA)
where:
Base-Base interactions energy: -246.404
where: short stacking energy: -108.934
Base-Backbone interact. energy: -0.051
local terms energy: -108.887552
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -19.509
flat angles C4'-P-C4' energy: -23.976
flat angles P-C4'-P energy: -15.565
tors. eta vs tors. theta energy: -32.476
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: 5, replica: 2
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -368.386522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.386522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.386522 (E_RNA)
where:
Base-Base interactions energy: -263.586
where: short stacking energy: -111.150
Base-Backbone interact. energy: -0.293
local terms energy: -104.507455
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -22.093
flat angles C4'-P-C4' energy: -23.948
flat angles P-C4'-P energy: -11.512
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: 6, replica: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -350.477609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.477609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.477609 (E_RNA)
where:
Base-Base interactions energy: -247.783
where: short stacking energy: -93.869
Base-Backbone interact. energy: -0.179
local terms energy: -102.515660
where:
bonds (distance) C4'-P energy: -19.975
bonds (distance) P-C4' energy: -23.269
flat angles C4'-P-C4' energy: -20.356
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -29.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -343.415817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.415817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.415817 (E_RNA)
where:
Base-Base interactions energy: -244.258
where: short stacking energy: -93.835
Base-Backbone interact. energy: -0.318
local terms energy: -98.839618
where:
bonds (distance) C4'-P energy: -20.349
bonds (distance) P-C4' energy: -20.166
flat angles C4'-P-C4' energy: -20.859
flat angles P-C4'-P energy: -13.489
tors. eta vs tors. theta energy: -23.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -175.944782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.944782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.944782 (E_RNA)
where:
Base-Base interactions energy: -107.427
where: short stacking energy: -55.090
Base-Backbone interact. energy: -0.284
local terms energy: -68.233709
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -20.093
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -8.926
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: 1
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -136.516583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.516583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.516583 (E_RNA)
where:
Base-Base interactions energy: -64.319
where: short stacking energy: -45.470
Base-Backbone interact. energy: -0.200
local terms energy: -71.997165
where:
bonds (distance) C4'-P energy: -24.172
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -7.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -102.287733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.287733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.287733 (E_RNA)
where:
Base-Base interactions energy: -37.359
where: short stacking energy: -28.410
Base-Backbone interact. energy: -0.208
local terms energy: -64.720958
where:
bonds (distance) C4'-P energy: -19.852
bonds (distance) P-C4' energy: -23.011
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: 1.418
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: 6
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -388.531487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.531487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.531487 (E_RNA)
where:
Base-Base interactions energy: -275.719
where: short stacking energy: -110.057
Base-Backbone interact. energy: -0.132
local terms energy: -112.680022
where:
bonds (distance) C4'-P energy: -20.713
bonds (distance) P-C4' energy: -19.093
flat angles C4'-P-C4' energy: -22.025
flat angles P-C4'-P energy: -16.125
tors. eta vs tors. theta energy: -34.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -378.744790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.744790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.744790 (E_RNA)
where:
Base-Base interactions energy: -265.517
where: short stacking energy: -94.651
Base-Backbone interact. energy: -0.163
local terms energy: -113.064458
where:
bonds (distance) C4'-P energy: -23.306
bonds (distance) P-C4' energy: -21.086
flat angles C4'-P-C4' energy: -24.585
flat angles P-C4'-P energy: -17.189
tors. eta vs tors. theta energy: -26.898
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: 3, replica: 9
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -386.644539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.644539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.644539 (E_RNA)
where:
Base-Base interactions energy: -274.083
where: short stacking energy: -114.024
Base-Backbone interact. energy: -0.058
local terms energy: -112.503347
where:
bonds (distance) C4'-P energy: -21.807
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -25.792
flat angles P-C4'-P energy: -14.817
tors. eta vs tors. theta energy: -33.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -347.354701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.354701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.354701 (E_RNA)
where:
Base-Base interactions energy: -247.750
where: short stacking energy: -105.730
Base-Backbone interact. energy: -0.464
local terms energy: -99.140237
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -21.150
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -31.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -357.580420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.580420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.580420 (E_RNA)
where:
Base-Base interactions energy: -254.723
where: short stacking energy: -106.493
Base-Backbone interact. energy: -0.112
local terms energy: -102.745693
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -18.382
flat angles P-C4'-P energy: -20.795
tors. eta vs tors. theta energy: -28.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -348.349399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.349399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.349399 (E_RNA)
where:
Base-Base interactions energy: -244.322
where: short stacking energy: -97.322
Base-Backbone interact. energy: -0.249
local terms energy: -103.778232
where:
bonds (distance) C4'-P energy: -18.640
bonds (distance) P-C4' energy: -24.402
flat angles C4'-P-C4' energy: -19.248
flat angles P-C4'-P energy: -15.940
tors. eta vs tors. theta energy: -25.548
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: 7, replica: 8
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -360.745059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.745059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.745059 (E_RNA)
where:
Base-Base interactions energy: -260.520
where: short stacking energy: -107.607
Base-Backbone interact. energy: -0.126
local terms energy: -100.099016
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -18.099
flat angles C4'-P-C4' energy: -18.776
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -33.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -133.454536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.454536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.454536 (E_RNA)
where:
Base-Base interactions energy: -54.242
where: short stacking energy: -54.242
Base-Backbone interact. energy: -0.057
local terms energy: -79.156192
where:
bonds (distance) C4'-P energy: -18.041
bonds (distance) P-C4' energy: -20.324
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -10.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -112.606495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.606495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.606495 (E_RNA)
where:
Base-Base interactions energy: -36.489
where: short stacking energy: -27.906
Base-Backbone interact. energy: -0.183
local terms energy: -75.934810
where:
bonds (distance) C4'-P energy: -23.702
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -3.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -96.434361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.434361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.434361 (E_RNA)
where:
Base-Base interactions energy: -33.193
where: short stacking energy: -33.193
Base-Backbone interact. energy: -0.207
local terms energy: -63.034783
where:
bonds (distance) C4'-P energy: -20.896
bonds (distance) P-C4' energy: -21.696
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -3.612
tors. eta vs tors. theta energy: -3.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -392.012127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.012127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.012127 (E_RNA)
where:
Base-Base interactions energy: -279.559
where: short stacking energy: -109.198
Base-Backbone interact. energy: -0.113
local terms energy: -112.340436
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -24.182
flat angles C4'-P-C4' energy: -23.694
flat angles P-C4'-P energy: -19.143
tors. eta vs tors. theta energy: -28.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -384.563502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.563502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.563502 (E_RNA)
where:
Base-Base interactions energy: -272.035
where: short stacking energy: -108.763
Base-Backbone interact. energy: -0.004
local terms energy: -112.524423
where:
bonds (distance) C4'-P energy: -21.935
bonds (distance) P-C4' energy: -20.396
flat angles C4'-P-C4' energy: -22.167
flat angles P-C4'-P energy: -17.150
tors. eta vs tors. theta energy: -30.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -383.955841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.955841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.955841 (E_RNA)
where:
Base-Base interactions energy: -271.507
where: short stacking energy: -115.083
Base-Backbone interact. energy: -0.158
local terms energy: -112.291058
where:
bonds (distance) C4'-P energy: -19.157
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -25.313
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -36.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -361.895930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.895930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.895930 (E_RNA)
where:
Base-Base interactions energy: -247.139
where: short stacking energy: -98.144
Base-Backbone interact. energy: -0.672
local terms energy: -114.084973
where:
bonds (distance) C4'-P energy: -18.413
bonds (distance) P-C4' energy: -21.334
flat angles C4'-P-C4' energy: -23.826
flat angles P-C4'-P energy: -18.825
tors. eta vs tors. theta energy: -31.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -352.605608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.605608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.605608 (E_RNA)
where:
Base-Base interactions energy: -259.078
where: short stacking energy: -96.449
Base-Backbone interact. energy: 0.600
local terms energy: -94.127969
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -16.577
flat angles C4'-P-C4' energy: -23.338
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -25.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -336.265794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.265794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.265794 (E_RNA)
where:
Base-Base interactions energy: -232.591
where: short stacking energy: -91.781
Base-Backbone interact. energy: -0.055
local terms energy: -103.619634
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -21.737
flat angles C4'-P-C4' energy: -19.514
flat angles P-C4'-P energy: -16.346
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: 7, replica: 8
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -363.353875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.353875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.353875 (E_RNA)
where:
Base-Base interactions energy: -258.816
where: short stacking energy: -105.162
Base-Backbone interact. energy: -0.293
local terms energy: -104.245406
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -20.764
flat angles C4'-P-C4' energy: -22.345
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -32.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -114.802181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.802181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.802181 (E_RNA)
where:
Base-Base interactions energy: -39.063
where: short stacking energy: -39.063
Base-Backbone interact. energy: -0.096
local terms energy: -75.642317
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -21.761
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -12.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -117.776700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.776700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.776700 (E_RNA)
where:
Base-Base interactions energy: -36.378
where: short stacking energy: -32.601
Base-Backbone interact. energy: -0.489
local terms energy: -80.909316
where:
bonds (distance) C4'-P energy: -23.922
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -20.724
flat angles P-C4'-P energy: -16.580
tors. eta vs tors. theta energy: -2.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -123.353117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.353117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.353117 (E_RNA)
where:
Base-Base interactions energy: -63.465
where: short stacking energy: -31.890
Base-Backbone interact. energy: 0.014
local terms energy: -59.902025
where:
bonds (distance) C4'-P energy: -19.194
bonds (distance) P-C4' energy: -20.705
flat angles C4'-P-C4' energy: -17.865
flat angles P-C4'-P energy: 0.433
tors. eta vs tors. theta energy: -2.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -384.281261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.281261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.281261 (E_RNA)
where:
Base-Base interactions energy: -273.648
where: short stacking energy: -107.062
Base-Backbone interact. energy: -0.930
local terms energy: -109.702568
where:
bonds (distance) C4'-P energy: -22.861
bonds (distance) P-C4' energy: -23.631
flat angles C4'-P-C4' energy: -24.468
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -28.203
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: 9
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -390.505958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.505958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.505958 (E_RNA)
where:
Base-Base interactions energy: -274.892
where: short stacking energy: -117.382
Base-Backbone interact. energy: -0.261
local terms energy: -115.352824
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -25.091
flat angles C4'-P-C4' energy: -26.148
flat angles P-C4'-P energy: -15.634
tors. eta vs tors. theta energy: -32.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -383.223659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.223659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.223659 (E_RNA)
where:
Base-Base interactions energy: -270.957
where: short stacking energy: -110.132
Base-Backbone interact. energy: -0.005
local terms energy: -112.261635
where:
bonds (distance) C4'-P energy: -20.952
bonds (distance) P-C4' energy: -20.895
flat angles C4'-P-C4' energy: -19.970
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -37.007
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: 2
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -366.045294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.045294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.045294 (E_RNA)
where:
Base-Base interactions energy: -262.557
where: short stacking energy: -105.227
Base-Backbone interact. energy: -0.389
local terms energy: -103.099362
where:
bonds (distance) C4'-P energy: -21.052
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: -22.912
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -31.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -345.787205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.787205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.787205 (E_RNA)
where:
Base-Base interactions energy: -242.970
where: short stacking energy: -97.477
Base-Backbone interact. energy: -0.083
local terms energy: -102.735066
where:
bonds (distance) C4'-P energy: -18.731
bonds (distance) P-C4' energy: -23.092
flat angles C4'-P-C4' energy: -19.669
flat angles P-C4'-P energy: -15.007
tors. eta vs tors. theta energy: -26.235
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: 8
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -365.040609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.040609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.040609 (E_RNA)
where:
Base-Base interactions energy: -253.983
where: short stacking energy: -98.089
Base-Backbone interact. energy: -0.008
local terms energy: -111.050299
where:
bonds (distance) C4'-P energy: -22.406
bonds (distance) P-C4' energy: -26.629
flat angles C4'-P-C4' energy: -21.035
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -33.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -324.315610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.315610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.315610 (E_RNA)
where:
Base-Base interactions energy: -226.550
where: short stacking energy: -100.687
Base-Backbone interact. energy: -0.002
local terms energy: -97.763653
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -17.962
tors. eta vs tors. theta energy: -32.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -106.089929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.089929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.089929 (E_RNA)
where:
Base-Base interactions energy: -31.169
where: short stacking energy: -21.843
Base-Backbone interact. energy: -0.378
local terms energy: -74.542697
where:
bonds (distance) C4'-P energy: -21.135
bonds (distance) P-C4' energy: -24.341
flat angles C4'-P-C4' energy: -18.781
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: 1.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -135.341286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.341286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.341286 (E_RNA)
where:
Base-Base interactions energy: -71.632
where: short stacking energy: -46.236
Base-Backbone interact. energy: 0.431
local terms energy: -64.140079
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -20.562
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -2.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -104.856888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.856888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.856888 (E_RNA)
where:
Base-Base interactions energy: -38.563
where: short stacking energy: -38.563
Base-Backbone interact. energy: -0.236
local terms energy: -66.058540
where:
bonds (distance) C4'-P energy: -22.205
bonds (distance) P-C4' energy: -21.856
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -3.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -393.739421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.739421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.739421 (E_RNA)
where:
Base-Base interactions energy: -277.715
where: short stacking energy: -105.979
Base-Backbone interact. energy: -0.291
local terms energy: -115.734192
where:
bonds (distance) C4'-P energy: -19.178
bonds (distance) P-C4' energy: -21.788
flat angles C4'-P-C4' energy: -23.010
flat angles P-C4'-P energy: -17.271
tors. eta vs tors. theta energy: -34.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -387.954942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.954942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.954942 (E_RNA)
where:
Base-Base interactions energy: -270.742
where: short stacking energy: -101.366
Base-Backbone interact. energy: -0.075
local terms energy: -117.138009
where:
bonds (distance) C4'-P energy: -24.125
bonds (distance) P-C4' energy: -25.545
flat angles C4'-P-C4' energy: -24.614
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -29.595
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: 434
Temperature: 1.000000
Total energy: -378.621209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.621209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.621209 (E_RNA)
where:
Base-Base interactions energy: -274.372
where: short stacking energy: -112.312
Base-Backbone interact. energy: 0.306
local terms energy: -104.555780
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -20.367
flat angles C4'-P-C4' energy: -22.787
flat angles P-C4'-P energy: -16.627
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: 4, replica: 2
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -377.245260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.245260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.245260 (E_RNA)
where:
Base-Base interactions energy: -269.722
where: short stacking energy: -104.643
Base-Backbone interact. energy: -0.597
local terms energy: -106.926302
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -21.397
flat angles C4'-P-C4' energy: -23.492
flat angles P-C4'-P energy: -14.732
tors. eta vs tors. theta energy: -30.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -371.707495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.707495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.707495 (E_RNA)
where:
Base-Base interactions energy: -262.811
where: short stacking energy: -111.113
Base-Backbone interact. energy: -0.167
local terms energy: -108.730085
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -22.363
flat angles C4'-P-C4' energy: -24.923
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -34.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -323.849689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.849689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.849689 (E_RNA)
where:
Base-Base interactions energy: -229.108
where: short stacking energy: -98.267
Base-Backbone interact. energy: -0.005
local terms energy: -94.736852
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -19.491
flat angles C4'-P-C4' energy: -19.409
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -28.157
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: 10
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -323.410979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.410979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.410979 (E_RNA)
where:
Base-Base interactions energy: -233.101
where: short stacking energy: -96.914
Base-Backbone interact. energy: -0.392
local terms energy: -89.917983
where:
bonds (distance) C4'-P energy: -18.437
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -16.264
tors. eta vs tors. theta energy: -26.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -115.587684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.587684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.587684 (E_RNA)
where:
Base-Base interactions energy: -47.713
where: short stacking energy: -32.124
Base-Backbone interact. energy: -0.292
local terms energy: -67.582966
where:
bonds (distance) C4'-P energy: -23.451
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -0.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -110.254822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.254822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.254822 (E_RNA)
where:
Base-Base interactions energy: -45.025
where: short stacking energy: -40.838
Base-Backbone interact. energy: -0.197
local terms energy: -65.033036
where:
bonds (distance) C4'-P energy: -19.038
bonds (distance) P-C4' energy: -20.160
flat angles C4'-P-C4' energy: -19.436
flat angles P-C4'-P energy: -4.740
tors. eta vs tors. theta energy: -1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -98.039930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.039930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.039930 (E_RNA)
where:
Base-Base interactions energy: -29.334
where: short stacking energy: -29.434
Base-Backbone interact. energy: -0.071
local terms energy: -68.634188
where:
bonds (distance) C4'-P energy: -17.919
bonds (distance) P-C4' energy: -16.674
flat angles C4'-P-C4' energy: -22.647
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -0.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -395.112800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.112800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.112800 (E_RNA)
where:
Base-Base interactions energy: -279.613
where: short stacking energy: -110.677
Base-Backbone interact. energy: -0.001
local terms energy: -115.498965
where:
bonds (distance) C4'-P energy: -19.817
bonds (distance) P-C4' energy: -25.252
flat angles C4'-P-C4' energy: -22.694
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -34.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -386.121047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.121047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.121047 (E_RNA)
where:
Base-Base interactions energy: -281.949
where: short stacking energy: -108.341
Base-Backbone interact. energy: -0.216
local terms energy: -103.955715
where:
bonds (distance) C4'-P energy: -21.043
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -19.932
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -28.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -385.886439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.886439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.886439 (E_RNA)
where:
Base-Base interactions energy: -274.168
where: short stacking energy: -113.542
Base-Backbone interact. energy: -0.724
local terms energy: -110.994580
where:
bonds (distance) C4'-P energy: -20.016
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -24.660
flat angles P-C4'-P energy: -15.620
tors. eta vs tors. theta energy: -32.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -370.573820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.573820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.573820 (E_RNA)
where:
Base-Base interactions energy: -260.620
where: short stacking energy: -110.460
Base-Backbone interact. energy: -0.092
local terms energy: -109.862099
where:
bonds (distance) C4'-P energy: -20.406
bonds (distance) P-C4' energy: -21.763
flat angles C4'-P-C4' energy: -20.978
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -32.916
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: 2
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -374.924891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.924891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.924891 (E_RNA)
where:
Base-Base interactions energy: -265.320
where: short stacking energy: -111.577
Base-Backbone interact. energy: -0.005
local terms energy: -109.599458
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -20.544
flat angles P-C4'-P energy: -16.651
tors. eta vs tors. theta energy: -34.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -354.594269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.594269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.594269 (E_RNA)
where:
Base-Base interactions energy: -246.170
where: short stacking energy: -100.392
Base-Backbone interact. energy: -0.134
local terms energy: -108.289889
where:
bonds (distance) C4'-P energy: -21.927
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -23.769
flat angles P-C4'-P energy: -13.940
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: 7, replica: 7
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -328.618085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.618085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.618085 (E_RNA)
where:
Base-Base interactions energy: -218.001
where: short stacking energy: -100.049
Base-Backbone interact. energy: -0.015
local terms energy: -110.602709
where:
bonds (distance) C4'-P energy: -21.211
bonds (distance) P-C4' energy: -20.452
flat angles C4'-P-C4' energy: -24.133
flat angles P-C4'-P energy: -15.798
tors. eta vs tors. theta energy: -29.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -113.245752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.245752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.245752 (E_RNA)
where:
Base-Base interactions energy: -37.638
where: short stacking energy: -34.271
Base-Backbone interact. energy: -0.307
local terms energy: -75.300805
where:
bonds (distance) C4'-P energy: -19.320
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -18.715
flat angles P-C4'-P energy: -13.072
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: 9, replica: 1
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -119.340488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.340488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.340488 (E_RNA)
where:
Base-Base interactions energy: -45.653
where: short stacking energy: -36.806
Base-Backbone interact. energy: -0.232
local terms energy: -73.455884
where:
bonds (distance) C4'-P energy: -25.342
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -19.261
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -4.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -97.147686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.147686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.147686 (E_RNA)
where:
Base-Base interactions energy: -38.704
where: short stacking energy: -37.448
Base-Backbone interact. energy: -0.562
local terms energy: -57.881602
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -18.975
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -2.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -391.970047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.970047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.970047 (E_RNA)
where:
Base-Base interactions energy: -283.684
where: short stacking energy: -121.592
Base-Backbone interact. energy: -0.007
local terms energy: -108.278867
where:
bonds (distance) C4'-P energy: -20.191
bonds (distance) P-C4' energy: -25.104
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -32.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -379.153767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.153767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.153767 (E_RNA)
where:
Base-Base interactions energy: -268.123
where: short stacking energy: -101.819
Base-Backbone interact. energy: -0.172
local terms energy: -110.858939
where:
bonds (distance) C4'-P energy: -21.476
bonds (distance) P-C4' energy: -23.744
flat angles C4'-P-C4' energy: -23.695
flat angles P-C4'-P energy: -14.034
tors. eta vs tors. theta energy: -27.911
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: 8
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -377.446434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.446434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.446434 (E_RNA)
where:
Base-Base interactions energy: -266.133
where: short stacking energy: -107.733
Base-Backbone interact. energy: 1.295
local terms energy: -112.608216
where:
bonds (distance) C4'-P energy: -18.798
bonds (distance) P-C4' energy: -23.511
flat angles C4'-P-C4' energy: -20.100
flat angles P-C4'-P energy: -15.471
tors. eta vs tors. theta energy: -34.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -378.059440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.059440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.059440 (E_RNA)
where:
Base-Base interactions energy: -266.088
where: short stacking energy: -105.107
Base-Backbone interact. energy: -0.856
local terms energy: -111.115444
where:
bonds (distance) C4'-P energy: -22.401
bonds (distance) P-C4' energy: -21.115
flat angles C4'-P-C4' energy: -21.720
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -33.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -341.364978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.364978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.364978 (E_RNA)
where:
Base-Base interactions energy: -240.763
where: short stacking energy: -109.231
Base-Backbone interact. energy: -0.137
local terms energy: -100.464701
where:
bonds (distance) C4'-P energy: -19.539
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -21.318
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -30.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -352.241929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.241929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.241929 (E_RNA)
where:
Base-Base interactions energy: -244.352
where: short stacking energy: -98.097
Base-Backbone interact. energy: -0.338
local terms energy: -107.551303
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -24.537
flat angles C4'-P-C4' energy: -21.856
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -31.901
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: 7, replica: 7
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -335.168278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.168278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.168278 (E_RNA)
where:
Base-Base interactions energy: -229.509
where: short stacking energy: -99.812
Base-Backbone interact. energy: -0.034
local terms energy: -105.625934
where:
bonds (distance) C4'-P energy: -23.172
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -22.342
flat angles P-C4'-P energy: -14.592
tors. eta vs tors. theta energy: -32.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -119.327757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.327757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.327757 (E_RNA)
where:
Base-Base interactions energy: -47.283
where: short stacking energy: -34.729
Base-Backbone interact. energy: -0.398
local terms energy: -71.646877
where:
bonds (distance) C4'-P energy: -19.197
bonds (distance) P-C4' energy: -19.043
flat angles C4'-P-C4' energy: -18.926
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -5.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -131.054091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.054091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.054091 (E_RNA)
where:
Base-Base interactions energy: -55.629
where: short stacking energy: -34.058
Base-Backbone interact. energy: -0.237
local terms energy: -75.188128
where:
bonds (distance) C4'-P energy: -20.042
bonds (distance) P-C4' energy: -18.999
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -6.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -106.519211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.519211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.519211 (E_RNA)
where:
Base-Base interactions energy: -41.578
where: short stacking energy: -30.348
Base-Backbone interact. energy: -0.458
local terms energy: -64.482688
where:
bonds (distance) C4'-P energy: -19.645
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -0.084
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: 9
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -396.628609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.628609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.628609 (E_RNA)
where:
Base-Base interactions energy: -282.493
where: short stacking energy: -113.781
Base-Backbone interact. energy: -0.459
local terms energy: -113.676724
where:
bonds (distance) C4'-P energy: -21.306
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -25.748
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -34.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -389.019250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.019250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.019250 (E_RNA)
where:
Base-Base interactions energy: -272.405
where: short stacking energy: -111.451
Base-Backbone interact. energy: -0.044
local terms energy: -116.569970
where:
bonds (distance) C4'-P energy: -21.513
bonds (distance) P-C4' energy: -17.400
flat angles C4'-P-C4' energy: -25.338
flat angles P-C4'-P energy: -17.244
tors. eta vs tors. theta energy: -35.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -375.302381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.302381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.302381 (E_RNA)
where:
Base-Base interactions energy: -263.598
where: short stacking energy: -97.305
Base-Backbone interact. energy: 0.098
local terms energy: -111.801731
where:
bonds (distance) C4'-P energy: -20.880
bonds (distance) P-C4' energy: -20.273
flat angles C4'-P-C4' energy: -24.035
flat angles P-C4'-P energy: -19.217
tors. eta vs tors. theta energy: -27.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -378.157674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.157674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.157674 (E_RNA)
where:
Base-Base interactions energy: -270.684
where: short stacking energy: -105.015
Base-Backbone interact. energy: -0.005
local terms energy: -107.468386
where:
bonds (distance) C4'-P energy: -21.223
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -19.274
flat angles P-C4'-P energy: -17.001
tors. eta vs tors. theta energy: -34.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -344.585546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.585546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.585546 (E_RNA)
where:
Base-Base interactions energy: -233.001
where: short stacking energy: -101.738
Base-Backbone interact. energy: 0.056
local terms energy: -111.640625
where:
bonds (distance) C4'-P energy: -20.817
bonds (distance) P-C4' energy: -21.918
flat angles C4'-P-C4' energy: -20.868
flat angles P-C4'-P energy: -14.917
tors. eta vs tors. theta energy: -33.121
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: 437
Temperature: 1.150000
Total energy: -356.170346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.170346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.170346 (E_RNA)
where:
Base-Base interactions energy: -254.079
where: short stacking energy: -104.396
Base-Backbone interact. energy: -0.074
local terms energy: -102.016598
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -22.305
flat angles C4'-P-C4' energy: -20.654
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -33.936
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: 437
Temperature: 1.200000
Total energy: -330.112197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.112197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.112197 (E_RNA)
where:
Base-Base interactions energy: -236.737
where: short stacking energy: -94.369
Base-Backbone interact. energy: -0.311
local terms energy: -93.064521
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -21.561
flat angles C4'-P-C4' energy: -21.954
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -26.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -115.583295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.583295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.583295 (E_RNA)
where:
Base-Base interactions energy: -41.319
where: short stacking energy: -41.224
Base-Backbone interact. energy: -1.292
local terms energy: -72.972246
where:
bonds (distance) C4'-P energy: -23.275
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -5.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -163.470269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.470269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.470269 (E_RNA)
where:
Base-Base interactions energy: -87.382
where: short stacking energy: -57.541
Base-Backbone interact. energy: -0.081
local terms energy: -76.006408
where:
bonds (distance) C4'-P energy: -18.809
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -21.097
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -11.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -102.759929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.759929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.759929 (E_RNA)
where:
Base-Base interactions energy: -47.508
where: short stacking energy: -24.663
Base-Backbone interact. energy: -0.230
local terms energy: -55.021645
where:
bonds (distance) C4'-P energy: -18.044
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: 3.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -394.241911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.241911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.241911 (E_RNA)
where:
Base-Base interactions energy: -279.351
where: short stacking energy: -112.378
Base-Backbone interact. energy: -0.002
local terms energy: -114.889263
where:
bonds (distance) C4'-P energy: -20.553
bonds (distance) P-C4' energy: -22.053
flat angles C4'-P-C4' energy: -21.776
flat angles P-C4'-P energy: -15.996
tors. eta vs tors. theta energy: -34.511
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: 2, replica: 8
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -403.585048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.585048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.585048 (E_RNA)
where:
Base-Base interactions energy: -278.271
where: short stacking energy: -115.460
Base-Backbone interact. energy: -0.404
local terms energy: -124.909941
where:
bonds (distance) C4'-P energy: -23.367
bonds (distance) P-C4' energy: -23.107
flat angles C4'-P-C4' energy: -27.469
flat angles P-C4'-P energy: -16.547
tors. eta vs tors. theta energy: -34.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -382.744364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.744364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.744364 (E_RNA)
where:
Base-Base interactions energy: -274.263
where: short stacking energy: -110.155
Base-Backbone interact. energy: -0.190
local terms energy: -108.291123
where:
bonds (distance) C4'-P energy: -23.773
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -22.509
flat angles P-C4'-P energy: -16.050
tors. eta vs tors. theta energy: -31.602
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: 5
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -380.089282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.089282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.089282 (E_RNA)
where:
Base-Base interactions energy: -267.003
where: short stacking energy: -100.602
Base-Backbone interact. energy: -0.211
local terms energy: -112.874900
where:
bonds (distance) C4'-P energy: -23.715
bonds (distance) P-C4' energy: -21.698
flat angles C4'-P-C4' energy: -24.064
flat angles P-C4'-P energy: -14.832
tors. eta vs tors. theta energy: -28.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -370.632275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.632275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.632275 (E_RNA)
where:
Base-Base interactions energy: -260.071
where: short stacking energy: -95.183
Base-Backbone interact. energy: -0.158
local terms energy: -110.402390
where:
bonds (distance) C4'-P energy: -22.205
bonds (distance) P-C4' energy: -20.996
flat angles C4'-P-C4' energy: -22.337
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -28.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -346.677776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.677776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.677776 (E_RNA)
where:
Base-Base interactions energy: -235.516
where: short stacking energy: -97.296
Base-Backbone interact. energy: -0.029
local terms energy: -111.132527
where:
bonds (distance) C4'-P energy: -19.348
bonds (distance) P-C4' energy: -20.205
flat angles C4'-P-C4' energy: -24.025
flat angles P-C4'-P energy: -17.134
tors. eta vs tors. theta energy: -30.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -312.941640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.941640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.941640 (E_RNA)
where:
Base-Base interactions energy: -209.504
where: short stacking energy: -79.404
Base-Backbone interact. energy: -0.140
local terms energy: -103.297502
where:
bonds (distance) C4'-P energy: -19.575
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -24.680
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -25.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -122.446096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.446096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.446096 (E_RNA)
where:
Base-Base interactions energy: -52.394
where: short stacking energy: -45.504
Base-Backbone interact. energy: -0.163
local terms energy: -69.888638
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -19.841
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -15.066
tors. eta vs tors. theta energy: -4.506
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: 3
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -117.344406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.344406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.344406 (E_RNA)
where:
Base-Base interactions energy: -62.301
where: short stacking energy: -34.580
Base-Backbone interact. energy: 1.512
local terms energy: -56.555270
where:
bonds (distance) C4'-P energy: -18.358
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: 1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -108.605965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.605965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.605965 (E_RNA)
where:
Base-Base interactions energy: -49.372
where: short stacking energy: -45.874
Base-Backbone interact. energy: -0.295
local terms energy: -58.938905
where:
bonds (distance) C4'-P energy: -18.991
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -4.336
tors. eta vs tors. theta energy: -5.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -397.953098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.953098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.953098 (E_RNA)
where:
Base-Base interactions energy: -281.330
where: short stacking energy: -118.033
Base-Backbone interact. energy: -0.281
local terms energy: -116.341710
where:
bonds (distance) C4'-P energy: -21.520
bonds (distance) P-C4' energy: -20.790
flat angles C4'-P-C4' energy: -23.748
flat angles P-C4'-P energy: -14.918
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: 2, replica: 6
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -383.058805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.058805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.058805 (E_RNA)
where:
Base-Base interactions energy: -271.316
where: short stacking energy: -105.265
Base-Backbone interact. energy: -0.102
local terms energy: -111.641063
where:
bonds (distance) C4'-P energy: -23.931
bonds (distance) P-C4' energy: -22.285
flat angles C4'-P-C4' energy: -20.188
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -32.221
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: 8
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -385.492656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.492656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.492656 (E_RNA)
where:
Base-Base interactions energy: -276.941
where: short stacking energy: -113.160
Base-Backbone interact. energy: -0.008
local terms energy: -108.542884
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -23.215
flat angles C4'-P-C4' energy: -21.241
flat angles P-C4'-P energy: -17.277
tors. eta vs tors. theta energy: -30.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -375.767250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.767250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.767250 (E_RNA)
where:
Base-Base interactions energy: -263.981
where: short stacking energy: -103.848
Base-Backbone interact. energy: 0.408
local terms energy: -112.194586
where:
bonds (distance) C4'-P energy: -21.587
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -24.701
flat angles P-C4'-P energy: -18.935
tors. eta vs tors. theta energy: -27.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -369.044799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.044799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.044799 (E_RNA)
where:
Base-Base interactions energy: -259.178
where: short stacking energy: -101.431
Base-Backbone interact. energy: -0.051
local terms energy: -109.815792
where:
bonds (distance) C4'-P energy: -19.771
bonds (distance) P-C4' energy: -20.539
flat angles C4'-P-C4' energy: -21.682
flat angles P-C4'-P energy: -15.486
tors. eta vs tors. theta energy: -32.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -334.224174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.224174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.224174 (E_RNA)
where:
Base-Base interactions energy: -233.727
where: short stacking energy: -82.580
Base-Backbone interact. energy: -0.414
local terms energy: -100.082784
where:
bonds (distance) C4'-P energy: -21.457
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -20.291
flat angles P-C4'-P energy: -15.093
tors. eta vs tors. theta energy: -24.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -343.948565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.948565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.948565 (E_RNA)
where:
Base-Base interactions energy: -238.322
where: short stacking energy: -99.727
Base-Backbone interact. energy: -0.477
local terms energy: -105.149738
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -19.531
flat angles C4'-P-C4' energy: -21.653
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -34.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -122.031215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.031215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.031215 (E_RNA)
where:
Base-Base interactions energy: -59.689
where: short stacking energy: -52.352
Base-Backbone interact. energy: -0.071
local terms energy: -62.271098
where:
bonds (distance) C4'-P energy: -10.241
bonds (distance) P-C4' energy: -9.824
flat angles C4'-P-C4' energy: -21.249
flat angles P-C4'-P energy: -15.877
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: 9, replica: 4
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -103.331956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.331956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.331956 (E_RNA)
where:
Base-Base interactions energy: -28.900
where: short stacking energy: -25.113
Base-Backbone interact. energy: -0.667
local terms energy: -73.764613
where:
bonds (distance) C4'-P energy: -22.438
bonds (distance) P-C4' energy: -20.551
flat angles C4'-P-C4' energy: -20.868
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -1.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -104.651748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.651748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.651748 (E_RNA)
where:
Base-Base interactions energy: -42.595
where: short stacking energy: -21.011
Base-Backbone interact. energy: -0.470
local terms energy: -61.586272
where:
bonds (distance) C4'-P energy: -19.746
bonds (distance) P-C4' energy: -19.587
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: 4.835
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: 1, replica: 6
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -386.632875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.632875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.632875 (E_RNA)
where:
Base-Base interactions energy: -271.133
where: short stacking energy: -110.689
Base-Backbone interact. energy: -0.886
local terms energy: -114.613838
where:
bonds (distance) C4'-P energy: -19.186
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -24.391
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: -33.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -382.135853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.135853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.135853 (E_RNA)
where:
Base-Base interactions energy: -273.669
where: short stacking energy: -110.526
Base-Backbone interact. energy: -0.005
local terms energy: -108.462039
where:
bonds (distance) C4'-P energy: -20.796
bonds (distance) P-C4' energy: -22.923
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -33.827
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: 440
Temperature: 1.000000
Total energy: -381.427730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.427730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.427730 (E_RNA)
where:
Base-Base interactions energy: -265.486
where: short stacking energy: -99.807
Base-Backbone interact. energy: -0.141
local terms energy: -115.800400
where:
bonds (distance) C4'-P energy: -22.026
bonds (distance) P-C4' energy: -20.895
flat angles C4'-P-C4' energy: -25.351
flat angles P-C4'-P energy: -15.147
tors. eta vs tors. theta energy: -32.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -381.033921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.033921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.033921 (E_RNA)
where:
Base-Base interactions energy: -266.218
where: short stacking energy: -102.704
Base-Backbone interact. energy: -0.011
local terms energy: -114.804850
where:
bonds (distance) C4'-P energy: -22.304
bonds (distance) P-C4' energy: -21.049
flat angles C4'-P-C4' energy: -24.043
flat angles P-C4'-P energy: -15.180
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: 5, replica: 2
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -374.856511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.856511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.856511 (E_RNA)
where:
Base-Base interactions energy: -264.986
where: short stacking energy: -106.341
Base-Backbone interact. energy: -0.084
local terms energy: -109.786375
where:
bonds (distance) C4'-P energy: -21.478
bonds (distance) P-C4' energy: -17.912
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -34.636
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: 7
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -352.957449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.957449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.957449 (E_RNA)
where:
Base-Base interactions energy: -243.115
where: short stacking energy: -106.049
Base-Backbone interact. energy: -0.672
local terms energy: -109.171220
where:
bonds (distance) C4'-P energy: -19.716
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -23.460
flat angles P-C4'-P energy: -12.727
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: 7, replica: 10
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -322.291848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.291848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.291848 (E_RNA)
where:
Base-Base interactions energy: -220.938
where: short stacking energy: -97.175
Base-Backbone interact. energy: 0.447
local terms energy: -101.801495
where:
bonds (distance) C4'-P energy: -18.673
bonds (distance) P-C4' energy: -20.061
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -17.590
tors. eta vs tors. theta energy: -27.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -118.080968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.080968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.080968 (E_RNA)
where:
Base-Base interactions energy: -56.134
where: short stacking energy: -31.509
Base-Backbone interact. energy: 0.767
local terms energy: -62.713667
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -21.174
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -16.936
tors. eta vs tors. theta energy: 6.972
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: 440
Temperature: 1.300000
Total energy: -117.958653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.958653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.958653 (E_RNA)
where:
Base-Base interactions energy: -53.312
where: short stacking energy: -45.589
Base-Backbone interact. energy: -0.481
local terms energy: -64.164938
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -8.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -112.173824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.173824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.173824 (E_RNA)
where:
Base-Base interactions energy: -40.086
where: short stacking energy: -37.025
Base-Backbone interact. energy: -0.272
local terms energy: -71.816421
where:
bonds (distance) C4'-P energy: -17.773
bonds (distance) P-C4' energy: -22.582
flat angles C4'-P-C4' energy: -20.332
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: 1.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -395.224666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.224666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.224666 (E_RNA)
where:
Base-Base interactions energy: -276.436
where: short stacking energy: -108.291
Base-Backbone interact. energy: -0.039
local terms energy: -118.749541
where:
bonds (distance) C4'-P energy: -21.313
bonds (distance) P-C4' energy: -22.753
flat angles C4'-P-C4' energy: -23.253
flat angles P-C4'-P energy: -18.834
tors. eta vs tors. theta energy: -32.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -378.526870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.526870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.526870 (E_RNA)
where:
Base-Base interactions energy: -269.664
where: short stacking energy: -102.169
Base-Backbone interact. energy: -0.031
local terms energy: -108.831598
where:
bonds (distance) C4'-P energy: -19.666
bonds (distance) P-C4' energy: -23.680
flat angles C4'-P-C4' energy: -22.187
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -30.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -382.477173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.477173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.477173 (E_RNA)
where:
Base-Base interactions energy: -266.768
where: short stacking energy: -104.278
Base-Backbone interact. energy: -0.007
local terms energy: -115.702480
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -22.506
flat angles C4'-P-C4' energy: -23.702
flat angles P-C4'-P energy: -20.022
tors. eta vs tors. theta energy: -35.895
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: 441
Temperature: 1.050000
Total energy: -376.750946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.750946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.750946 (E_RNA)
where:
Base-Base interactions energy: -267.449
where: short stacking energy: -112.629
Base-Backbone interact. energy: -0.001
local terms energy: -109.301244
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -18.046
flat angles C4'-P-C4' energy: -25.340
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -34.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -376.511834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.511834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.511834 (E_RNA)
where:
Base-Base interactions energy: -268.813
where: short stacking energy: -110.312
Base-Backbone interact. energy: -0.104
local terms energy: -107.595679
where:
bonds (distance) C4'-P energy: -20.811
bonds (distance) P-C4' energy: -21.542
flat angles C4'-P-C4' energy: -22.894
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -32.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -340.682140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.682140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.682140 (E_RNA)
where:
Base-Base interactions energy: -234.153
where: short stacking energy: -93.350
Base-Backbone interact. energy: -0.818
local terms energy: -105.711551
where:
bonds (distance) C4'-P energy: -20.478
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -24.506
flat angles P-C4'-P energy: -14.474
tors. eta vs tors. theta energy: -28.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -340.235094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.235094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.235094 (E_RNA)
where:
Base-Base interactions energy: -250.681
where: short stacking energy: -99.314
Base-Backbone interact. energy: -0.131
local terms energy: -89.422697
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -18.387
flat angles C4'-P-C4' energy: -20.058
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -29.090
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: 8, replica: 3
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -125.667912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.667912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.667912 (E_RNA)
where:
Base-Base interactions energy: -53.543
where: short stacking energy: -53.543
Base-Backbone interact. energy: -0.416
local terms energy: -71.708389
where:
bonds (distance) C4'-P energy: -17.743
bonds (distance) P-C4' energy: -23.857
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -4.488
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: 1
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -125.005413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.005413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.005413 (E_RNA)
where:
Base-Base interactions energy: -70.416
where: short stacking energy: -31.599
Base-Backbone interact. energy: -0.755
local terms energy: -53.834178
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -16.278
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -13.492
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: 10, replica: 4
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -106.327030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.327030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.327030 (E_RNA)
where:
Base-Base interactions energy: -32.235
where: short stacking energy: -32.235
Base-Backbone interact. energy: -0.665
local terms energy: -73.427345
where:
bonds (distance) C4'-P energy: -19.190
bonds (distance) P-C4' energy: -19.189
flat angles C4'-P-C4' energy: -21.691
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -4.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -383.308808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.308808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.308808 (E_RNA)
where:
Base-Base interactions energy: -273.932
where: short stacking energy: -108.380
Base-Backbone interact. energy: -0.023
local terms energy: -109.353852
where:
bonds (distance) C4'-P energy: -18.562
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -22.927
flat angles P-C4'-P energy: -17.245
tors. eta vs tors. theta energy: -29.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -388.323778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.323778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.323778 (E_RNA)
where:
Base-Base interactions energy: -285.691
where: short stacking energy: -116.440
Base-Backbone interact. energy: -0.005
local terms energy: -102.627828
where:
bonds (distance) C4'-P energy: -23.918
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -23.380
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -30.926
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: 2
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -387.200892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.200892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.200892 (E_RNA)
where:
Base-Base interactions energy: -273.058
where: short stacking energy: -115.571
Base-Backbone interact. energy: -0.011
local terms energy: -114.131907
where:
bonds (distance) C4'-P energy: -20.277
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -20.349
flat angles P-C4'-P energy: -15.606
tors. eta vs tors. theta energy: -35.142
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: 9
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -373.007990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.007990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.007990 (E_RNA)
where:
Base-Base interactions energy: -266.337
where: short stacking energy: -107.478
Base-Backbone interact. energy: -0.002
local terms energy: -106.668736
where:
bonds (distance) C4'-P energy: -18.557
bonds (distance) P-C4' energy: -19.537
flat angles C4'-P-C4' energy: -20.908
flat angles P-C4'-P energy: -15.143
tors. eta vs tors. theta energy: -32.524
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: 5, replica: 7
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -358.640880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.640880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.640880 (E_RNA)
where:
Base-Base interactions energy: -254.339
where: short stacking energy: -111.663
Base-Backbone interact. energy: -0.003
local terms energy: -104.299340
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -18.959
flat angles C4'-P-C4' energy: -23.091
flat angles P-C4'-P energy: -17.733
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: 6, replica: 8
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -374.186563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.186563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.186563 (E_RNA)
where:
Base-Base interactions energy: -264.576
where: short stacking energy: -108.663
Base-Backbone interact. energy: -0.003
local terms energy: -109.606905
where:
bonds (distance) C4'-P energy: -20.300
bonds (distance) P-C4' energy: -23.630
flat angles C4'-P-C4' energy: -19.335
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -32.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -342.094652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.094652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.094652 (E_RNA)
where:
Base-Base interactions energy: -243.031
where: short stacking energy: -103.192
Base-Backbone interact. energy: -0.411
local terms energy: -98.653059
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -20.445
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -32.140
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: 3
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -109.043311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.043311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.043311 (E_RNA)
where:
Base-Base interactions energy: -44.836
where: short stacking energy: -36.178
Base-Backbone interact. energy: -0.693
local terms energy: -63.514226
where:
bonds (distance) C4'-P energy: -19.190
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -19.505
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -0.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -113.358716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.358716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.358716 (E_RNA)
where:
Base-Base interactions energy: -42.013
where: short stacking energy: -39.617
Base-Backbone interact. energy: -0.089
local terms energy: -71.257269
where:
bonds (distance) C4'-P energy: -20.094
bonds (distance) P-C4' energy: -20.679
flat angles C4'-P-C4' energy: -17.128
flat angles P-C4'-P energy: -8.562
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: 10, replica: 1
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -107.678649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.678649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.678649 (E_RNA)
where:
Base-Base interactions energy: -48.179
where: short stacking energy: -44.915
Base-Backbone interact. energy: -0.744
local terms energy: -58.755023
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -19.274
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: 1.936
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: 1, replica: 5
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -389.046677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.046677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.046677 (E_RNA)
where:
Base-Base interactions energy: -277.680
where: short stacking energy: -109.028
Base-Backbone interact. energy: -0.180
local terms energy: -111.186854
where:
bonds (distance) C4'-P energy: -22.900
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -23.323
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -33.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -381.039987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.039987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.039987 (E_RNA)
where:
Base-Base interactions energy: -269.200
where: short stacking energy: -102.519
Base-Backbone interact. energy: -0.007
local terms energy: -111.832620
where:
bonds (distance) C4'-P energy: -21.484
bonds (distance) P-C4' energy: -22.511
flat angles C4'-P-C4' energy: -25.147
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -31.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -380.773795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.773795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.773795 (E_RNA)
where:
Base-Base interactions energy: -272.897
where: short stacking energy: -111.206
Base-Backbone interact. energy: -0.000
local terms energy: -107.876781
where:
bonds (distance) C4'-P energy: -18.279
bonds (distance) P-C4' energy: -19.733
flat angles C4'-P-C4' energy: -23.475
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -33.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -378.184536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.184536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.184536 (E_RNA)
where:
Base-Base interactions energy: -267.149
where: short stacking energy: -110.457
Base-Backbone interact. energy: -0.458
local terms energy: -110.577674
where:
bonds (distance) C4'-P energy: -19.365
bonds (distance) P-C4' energy: -23.100
flat angles C4'-P-C4' energy: -24.019
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -34.448
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: 7
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -360.436929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.436929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.436929 (E_RNA)
where:
Base-Base interactions energy: -248.528
where: short stacking energy: -105.782
Base-Backbone interact. energy: -0.456
local terms energy: -111.453020
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -22.510
flat angles C4'-P-C4' energy: -25.286
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -33.891
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: 8
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -364.845068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.845068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.845068 (E_RNA)
where:
Base-Base interactions energy: -259.600
where: short stacking energy: -104.879
Base-Backbone interact. energy: 2.488
local terms energy: -107.733430
where:
bonds (distance) C4'-P energy: -19.666
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -24.207
flat angles P-C4'-P energy: -12.232
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: 7, replica: 10
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -346.950802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.950802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.950802 (E_RNA)
where:
Base-Base interactions energy: -243.637
where: short stacking energy: -105.438
Base-Backbone interact. energy: -0.026
local terms energy: -103.287926
where:
bonds (distance) C4'-P energy: -21.777
bonds (distance) P-C4' energy: -22.862
flat angles C4'-P-C4' energy: -21.006
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -26.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -113.436929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.436929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.436929 (E_RNA)
where:
Base-Base interactions energy: -43.627
where: short stacking energy: -43.727
Base-Backbone interact. energy: 0.991
local terms energy: -70.800373
where:
bonds (distance) C4'-P energy: -20.912
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -6.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -124.519285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.519285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.519285 (E_RNA)
where:
Base-Base interactions energy: -51.258
where: short stacking energy: -46.340
Base-Backbone interact. energy: -0.430
local terms energy: -72.831338
where:
bonds (distance) C4'-P energy: -19.090
bonds (distance) P-C4' energy: -24.606
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -5.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -102.788565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.788565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.788565 (E_RNA)
where:
Base-Base interactions energy: -28.860
where: short stacking energy: -28.388
Base-Backbone interact. energy: -1.583
local terms energy: -72.345631
where:
bonds (distance) C4'-P energy: -19.782
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -10.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -396.313012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.313012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.313012 (E_RNA)
where:
Base-Base interactions energy: -281.527
where: short stacking energy: -115.465
Base-Backbone interact. energy: -0.153
local terms energy: -114.633238
where:
bonds (distance) C4'-P energy: -17.671
bonds (distance) P-C4' energy: -22.608
flat angles C4'-P-C4' energy: -24.468
flat angles P-C4'-P energy: -15.804
tors. eta vs tors. theta energy: -34.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -377.722841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.722841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.722841 (E_RNA)
where:
Base-Base interactions energy: -265.032
where: short stacking energy: -103.327
Base-Backbone interact. energy: -0.168
local terms energy: -112.523318
where:
bonds (distance) C4'-P energy: -21.281
bonds (distance) P-C4' energy: -20.603
flat angles C4'-P-C4' energy: -23.218
flat angles P-C4'-P energy: -15.910
tors. eta vs tors. theta energy: -31.511
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: 3, replica: 2
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -383.877977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.877977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.877977 (E_RNA)
where:
Base-Base interactions energy: -266.462
where: short stacking energy: -113.239
Base-Backbone interact. energy: -0.002
local terms energy: -117.413976
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -23.427
flat angles C4'-P-C4' energy: -25.539
flat angles P-C4'-P energy: -17.442
tors. eta vs tors. theta energy: -34.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -377.224784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.224784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.224784 (E_RNA)
where:
Base-Base interactions energy: -267.263
where: short stacking energy: -106.461
Base-Backbone interact. energy: -0.129
local terms energy: -109.833218
where:
bonds (distance) C4'-P energy: -18.764
bonds (distance) P-C4' energy: -22.850
flat angles C4'-P-C4' energy: -22.420
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -33.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -369.249219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.249219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.249219 (E_RNA)
where:
Base-Base interactions energy: -255.783
where: short stacking energy: -101.233
Base-Backbone interact. energy: -0.612
local terms energy: -112.854871
where:
bonds (distance) C4'-P energy: -18.804
bonds (distance) P-C4' energy: -21.996
flat angles C4'-P-C4' energy: -21.803
flat angles P-C4'-P energy: -15.445
tors. eta vs tors. theta energy: -34.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -344.656755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.656755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.656755 (E_RNA)
where:
Base-Base interactions energy: -232.916
where: short stacking energy: -87.477
Base-Backbone interact. energy: -1.842
local terms energy: -109.898112
where:
bonds (distance) C4'-P energy: -21.240
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -21.907
flat angles P-C4'-P energy: -19.185
tors. eta vs tors. theta energy: -27.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -327.404767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.404767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.404767 (E_RNA)
where:
Base-Base interactions energy: -224.236
where: short stacking energy: -91.964
Base-Backbone interact. energy: -0.325
local terms energy: -102.843397
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -23.494
flat angles C4'-P-C4' energy: -21.386
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -26.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -117.219569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.219569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.219569 (E_RNA)
where:
Base-Base interactions energy: -44.121
where: short stacking energy: -33.968
Base-Backbone interact. energy: 3.675
local terms energy: -76.773922
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -25.478
flat angles C4'-P-C4' energy: -21.248
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -1.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -111.433384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.433384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.433384 (E_RNA)
where:
Base-Base interactions energy: -48.802
where: short stacking energy: -37.340
Base-Backbone interact. energy: 0.322
local terms energy: -62.952796
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -17.540
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -1.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -99.798693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.798693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.798693 (E_RNA)
where:
Base-Base interactions energy: -27.420
where: short stacking energy: -27.420
Base-Backbone interact. energy: 0.170
local terms energy: -72.547894
where:
bonds (distance) C4'-P energy: -20.126
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -18.986
flat angles P-C4'-P energy: -12.553
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: 1, replica: 6
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -398.489367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.489367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.489367 (E_RNA)
where:
Base-Base interactions energy: -278.091
where: short stacking energy: -115.705
Base-Backbone interact. energy: -0.047
local terms energy: -120.351332
where:
bonds (distance) C4'-P energy: -22.146
bonds (distance) P-C4' energy: -22.695
flat angles C4'-P-C4' energy: -26.666
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -33.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -390.503912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.503912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.503912 (E_RNA)
where:
Base-Base interactions energy: -274.807
where: short stacking energy: -114.705
Base-Backbone interact. energy: -0.333
local terms energy: -115.364094
where:
bonds (distance) C4'-P energy: -22.146
bonds (distance) P-C4' energy: -18.142
flat angles C4'-P-C4' energy: -25.748
flat angles P-C4'-P energy: -16.128
tors. eta vs tors. theta energy: -33.201
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: 5
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -374.479838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.479838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.479838 (E_RNA)
where:
Base-Base interactions energy: -275.193
where: short stacking energy: -111.467
Base-Backbone interact. energy: -0.271
local terms energy: -99.016784
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -17.214
flat angles C4'-P-C4' energy: -20.764
flat angles P-C4'-P energy: -14.952
tors. eta vs tors. theta energy: -28.337
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: 9
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -370.766637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.766637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.766637 (E_RNA)
where:
Base-Base interactions energy: -263.056
where: short stacking energy: -100.628
Base-Backbone interact. energy: -0.021
local terms energy: -107.689272
where:
bonds (distance) C4'-P energy: -21.881
bonds (distance) P-C4' energy: -19.168
flat angles C4'-P-C4' energy: -18.984
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -34.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -378.627147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.627147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.627147 (E_RNA)
where:
Base-Base interactions energy: -264.329
where: short stacking energy: -111.731
Base-Backbone interact. energy: -0.005
local terms energy: -114.293571
where:
bonds (distance) C4'-P energy: -24.063
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -23.001
flat angles P-C4'-P energy: -16.400
tors. eta vs tors. theta energy: -33.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -343.955360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.955360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.955360 (E_RNA)
where:
Base-Base interactions energy: -236.480
where: short stacking energy: -98.054
Base-Backbone interact. energy: -0.392
local terms energy: -107.084247
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -23.320
flat angles P-C4'-P energy: -17.626
tors. eta vs tors. theta energy: -32.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -337.282585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.282585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.282585 (E_RNA)
where:
Base-Base interactions energy: -232.867
where: short stacking energy: -100.298
Base-Backbone interact. energy: -0.024
local terms energy: -104.391266
where:
bonds (distance) C4'-P energy: -19.082
bonds (distance) P-C4' energy: -23.537
flat angles C4'-P-C4' energy: -19.500
flat angles P-C4'-P energy: -12.271
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: 8, replica: 1
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -115.859409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.859409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.859409 (E_RNA)
where:
Base-Base interactions energy: -49.810
where: short stacking energy: -41.453
Base-Backbone interact. energy: -0.474
local terms energy: -65.574942
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -20.793
flat angles C4'-P-C4' energy: -21.681
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -0.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -112.159661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.159661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.159661 (E_RNA)
where:
Base-Base interactions energy: -43.867
where: short stacking energy: -43.867
Base-Backbone interact. energy: -0.110
local terms energy: -68.182434
where:
bonds (distance) C4'-P energy: -17.501
bonds (distance) P-C4' energy: -23.371
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -3.930
tors. eta vs tors. theta energy: -5.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -101.008512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.008512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.008512 (E_RNA)
where:
Base-Base interactions energy: -33.836
where: short stacking energy: -33.791
Base-Backbone interact. energy: -1.067
local terms energy: -66.105064
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -18.723
flat angles C4'-P-C4' energy: -19.833
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -3.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -395.471900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.471900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.471900 (E_RNA)
where:
Base-Base interactions energy: -276.867
where: short stacking energy: -111.741
Base-Backbone interact. energy: -0.261
local terms energy: -118.343366
where:
bonds (distance) C4'-P energy: -22.187
bonds (distance) P-C4' energy: -23.648
flat angles C4'-P-C4' energy: -23.972
flat angles P-C4'-P energy: -14.146
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: 2, replica: 6
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -383.361620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.361620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.361620 (E_RNA)
where:
Base-Base interactions energy: -275.629
where: short stacking energy: -112.056
Base-Backbone interact. energy: -0.897
local terms energy: -106.835382
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -23.768
flat angles C4'-P-C4' energy: -20.294
flat angles P-C4'-P energy: -16.144
tors. eta vs tors. theta energy: -31.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -380.959299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.959299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.959299 (E_RNA)
where:
Base-Base interactions energy: -272.621
where: short stacking energy: -106.033
Base-Backbone interact. energy: -0.001
local terms energy: -108.336882
where:
bonds (distance) C4'-P energy: -21.700
bonds (distance) P-C4' energy: -21.197
flat angles C4'-P-C4' energy: -18.242
flat angles P-C4'-P energy: -14.939
tors. eta vs tors. theta energy: -32.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -376.097396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.097396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.097396 (E_RNA)
where:
Base-Base interactions energy: -272.113
where: short stacking energy: -101.879
Base-Backbone interact. energy: -0.162
local terms energy: -103.822220
where:
bonds (distance) C4'-P energy: -20.746
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -23.108
flat angles P-C4'-P energy: -16.515
tors. eta vs tors. theta energy: -26.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -359.793886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.793886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.793886 (E_RNA)
where:
Base-Base interactions energy: -247.046
where: short stacking energy: -109.824
Base-Backbone interact. energy: -0.003
local terms energy: -112.744688
where:
bonds (distance) C4'-P energy: -23.536
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -25.523
flat angles P-C4'-P energy: -14.859
tors. eta vs tors. theta energy: -32.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -357.946268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.946268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.946268 (E_RNA)
where:
Base-Base interactions energy: -245.681
where: short stacking energy: -96.534
Base-Backbone interact. energy: -0.054
local terms energy: -112.210437
where:
bonds (distance) C4'-P energy: -21.826
bonds (distance) P-C4' energy: -22.853
flat angles C4'-P-C4' energy: -20.804
flat angles P-C4'-P energy: -13.691
tors. eta vs tors. theta energy: -33.036
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: 7, replica: 10
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -337.090535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.090535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.090535 (E_RNA)
where:
Base-Base interactions energy: -227.098
where: short stacking energy: -96.110
Base-Backbone interact. energy: -0.050
local terms energy: -109.943260
where:
bonds (distance) C4'-P energy: -19.619
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -20.156
flat angles P-C4'-P energy: -17.843
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: 1
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -115.880574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.880574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.880574 (E_RNA)
where:
Base-Base interactions energy: -48.065
where: short stacking energy: -30.736
Base-Backbone interact. energy: 0.548
local terms energy: -68.363905
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -18.546
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -5.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -115.057966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.057966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.057966 (E_RNA)
where:
Base-Base interactions energy: -41.478
where: short stacking energy: -41.478
Base-Backbone interact. energy: -0.047
local terms energy: -73.533151
where:
bonds (distance) C4'-P energy: -20.010
bonds (distance) P-C4' energy: -20.617
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -5.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -117.927526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.927526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.927526 (E_RNA)
where:
Base-Base interactions energy: -43.126
where: short stacking energy: -42.548
Base-Backbone interact. energy: -0.255
local terms energy: -74.546093
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -20.472
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -14.076
tors. eta vs tors. theta energy: -6.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -394.944141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.944141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.944141 (E_RNA)
where:
Base-Base interactions energy: -273.002
where: short stacking energy: -112.989
Base-Backbone interact. energy: -0.069
local terms energy: -121.872889
where:
bonds (distance) C4'-P energy: -21.933
bonds (distance) P-C4' energy: -26.344
flat angles C4'-P-C4' energy: -25.221
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -35.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -383.121189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.121189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.121189 (E_RNA)
where:
Base-Base interactions energy: -268.141
where: short stacking energy: -110.317
Base-Backbone interact. energy: -0.009
local terms energy: -114.971430
where:
bonds (distance) C4'-P energy: -22.995
bonds (distance) P-C4' energy: -21.005
flat angles C4'-P-C4' energy: -25.576
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -32.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -384.518537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.518537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.518537 (E_RNA)
where:
Base-Base interactions energy: -276.239
where: short stacking energy: -115.561
Base-Backbone interact. energy: -0.113
local terms energy: -108.165973
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -22.113
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -15.586
tors. eta vs tors. theta energy: -35.327
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: 7
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -367.855264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.855264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.855264 (E_RNA)
where:
Base-Base interactions energy: -249.176
where: short stacking energy: -109.223
Base-Backbone interact. energy: -0.042
local terms energy: -118.637545
where:
bonds (distance) C4'-P energy: -22.197
bonds (distance) P-C4' energy: -22.569
flat angles C4'-P-C4' energy: -24.403
flat angles P-C4'-P energy: -15.470
tors. eta vs tors. theta energy: -33.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -367.380373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.380373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.380373 (E_RNA)
where:
Base-Base interactions energy: -257.787
where: short stacking energy: -105.109
Base-Backbone interact. energy: -0.227
local terms energy: -109.366036
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -25.468
flat angles P-C4'-P energy: -15.116
tors. eta vs tors. theta energy: -33.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -340.907622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.907622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.907622 (E_RNA)
where:
Base-Base interactions energy: -240.442
where: short stacking energy: -105.072
Base-Backbone interact. energy: -0.018
local terms energy: -100.447438
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -17.730
flat angles C4'-P-C4' energy: -20.762
flat angles P-C4'-P energy: -16.355
tors. eta vs tors. theta energy: -29.712
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: 447
Temperature: 1.200000
Total energy: -349.760574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.760574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.760574 (E_RNA)
where:
Base-Base interactions energy: -248.762
where: short stacking energy: -99.808
Base-Backbone interact. energy: -0.263
local terms energy: -100.735537
where:
bonds (distance) C4'-P energy: -17.397
bonds (distance) P-C4' energy: -21.208
flat angles C4'-P-C4' energy: -20.760
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -31.004
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: 8, replica: 3
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -118.659061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.659061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.659061 (E_RNA)
where:
Base-Base interactions energy: -43.303
where: short stacking energy: -41.526
Base-Backbone interact. energy: -0.931
local terms energy: -74.424715
where:
bonds (distance) C4'-P energy: -21.302
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -5.010
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: 9, replica: 1
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -112.551905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.551905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.551905 (E_RNA)
where:
Base-Base interactions energy: -43.799
where: short stacking energy: -35.475
Base-Backbone interact. energy: -0.569
local terms energy: -68.183721
where:
bonds (distance) C4'-P energy: -20.622
bonds (distance) P-C4' energy: -19.722
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -12.721
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: 4
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -117.311135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.311135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.311135 (E_RNA)
where:
Base-Base interactions energy: -47.150
where: short stacking energy: -31.059
Base-Backbone interact. energy: -0.281
local terms energy: -69.880902
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -18.419
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -5.261
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: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -398.472769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.472769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.472769 (E_RNA)
where:
Base-Base interactions energy: -279.921
where: short stacking energy: -115.731
Base-Backbone interact. energy: -0.001
local terms energy: -118.550289
where:
bonds (distance) C4'-P energy: -20.918
bonds (distance) P-C4' energy: -19.770
flat angles C4'-P-C4' energy: -26.076
flat angles P-C4'-P energy: -16.054
tors. eta vs tors. theta energy: -35.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -390.978523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.978523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.978523 (E_RNA)
where:
Base-Base interactions energy: -273.398
where: short stacking energy: -108.263
Base-Backbone interact. energy: -0.139
local terms energy: -117.441216
where:
bonds (distance) C4'-P energy: -19.897
bonds (distance) P-C4' energy: -20.618
flat angles C4'-P-C4' energy: -25.066
flat angles P-C4'-P energy: -16.991
tors. eta vs tors. theta energy: -34.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -387.178123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.178123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.178123 (E_RNA)
where:
Base-Base interactions energy: -268.609
where: short stacking energy: -112.117
Base-Backbone interact. energy: -0.499
local terms energy: -118.070424
where:
bonds (distance) C4'-P energy: -19.119
bonds (distance) P-C4' energy: -24.212
flat angles C4'-P-C4' energy: -22.942
flat angles P-C4'-P energy: -16.744
tors. eta vs tors. theta energy: -35.053
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: 4, replica: 7
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -359.927023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.927023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.927023 (E_RNA)
where:
Base-Base interactions energy: -248.354
where: short stacking energy: -111.467
Base-Backbone interact. energy: -0.042
local terms energy: -111.530802
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -20.037
flat angles P-C4'-P energy: -18.709
tors. eta vs tors. theta energy: -35.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -376.912647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.912647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.912647 (E_RNA)
where:
Base-Base interactions energy: -261.759
where: short stacking energy: -101.137
Base-Backbone interact. energy: -0.102
local terms energy: -115.051680
where:
bonds (distance) C4'-P energy: -23.636
bonds (distance) P-C4' energy: -22.991
flat angles C4'-P-C4' energy: -24.025
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -31.356
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: 10
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -353.942352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.942352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.942352 (E_RNA)
where:
Base-Base interactions energy: -234.871
where: short stacking energy: -102.614
Base-Backbone interact. energy: -0.182
local terms energy: -118.889747
where:
bonds (distance) C4'-P energy: -20.366
bonds (distance) P-C4' energy: -18.729
flat angles C4'-P-C4' energy: -23.393
flat angles P-C4'-P energy: -19.275
tors. eta vs tors. theta energy: -37.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -333.805301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.805301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.805301 (E_RNA)
where:
Base-Base interactions energy: -231.929
where: short stacking energy: -93.907
Base-Backbone interact. energy: -0.021
local terms energy: -101.855059
where:
bonds (distance) C4'-P energy: -18.760
bonds (distance) P-C4' energy: -20.304
flat angles C4'-P-C4' energy: -23.168
flat angles P-C4'-P energy: -14.579
tors. eta vs tors. theta energy: -25.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -145.901374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.901374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.901374 (E_RNA)
where:
Base-Base interactions energy: -77.388
where: short stacking energy: -52.434
Base-Backbone interact. energy: -0.755
local terms energy: -67.757635
where:
bonds (distance) C4'-P energy: -9.956
bonds (distance) P-C4' energy: -22.472
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -5.277
tors. eta vs tors. theta energy: -11.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -153.891084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.891084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.891084 (E_RNA)
where:
Base-Base interactions energy: -83.267
where: short stacking energy: -42.191
Base-Backbone interact. energy: -0.582
local terms energy: -70.042460
where:
bonds (distance) C4'-P energy: -17.501
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -11.243
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: 10, replica: 1
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -108.523619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.523619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.523619 (E_RNA)
where:
Base-Base interactions energy: -49.087
where: short stacking energy: -38.524
Base-Backbone interact. energy: -2.075
local terms energy: -57.361613
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -2.625
tors. eta vs tors. theta energy: -3.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -395.801432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.801432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.801432 (E_RNA)
where:
Base-Base interactions energy: -282.883
where: short stacking energy: -118.039
Base-Backbone interact. energy: -0.002
local terms energy: -112.915893
where:
bonds (distance) C4'-P energy: -21.626
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -24.480
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -34.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -389.843578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.843578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.843578 (E_RNA)
where:
Base-Base interactions energy: -281.207
where: short stacking energy: -114.741
Base-Backbone interact. energy: -0.260
local terms energy: -108.376520
where:
bonds (distance) C4'-P energy: -22.133
bonds (distance) P-C4' energy: -21.906
flat angles C4'-P-C4' energy: -19.444
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -32.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -379.283166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.283166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.283166 (E_RNA)
where:
Base-Base interactions energy: -267.662
where: short stacking energy: -103.406
Base-Backbone interact. energy: -0.062
local terms energy: -111.558860
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -20.612
flat angles C4'-P-C4' energy: -24.332
flat angles P-C4'-P energy: -15.459
tors. eta vs tors. theta energy: -33.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -390.649690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.649690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.649690 (E_RNA)
where:
Base-Base interactions energy: -272.504
where: short stacking energy: -109.609
Base-Backbone interact. energy: -0.009
local terms energy: -118.136857
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -22.728
flat angles C4'-P-C4' energy: -24.521
flat angles P-C4'-P energy: -17.792
tors. eta vs tors. theta energy: -34.405
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: 7
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -367.523814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.523814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.523814 (E_RNA)
where:
Base-Base interactions energy: -251.908
where: short stacking energy: -114.790
Base-Backbone interact. energy: -1.022
local terms energy: -114.593581
where:
bonds (distance) C4'-P energy: -21.195
bonds (distance) P-C4' energy: -22.275
flat angles C4'-P-C4' energy: -23.859
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -31.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -349.791911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.791911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.791911 (E_RNA)
where:
Base-Base interactions energy: -246.370
where: short stacking energy: -106.870
Base-Backbone interact. energy: -0.289
local terms energy: -103.132503
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -18.935
flat angles C4'-P-C4' energy: -23.208
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -29.770
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: 8
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -311.291590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.291590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.291590 (E_RNA)
where:
Base-Base interactions energy: -222.923
where: short stacking energy: -85.969
Base-Backbone interact. energy: -1.024
local terms energy: -87.344749
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -21.046
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -22.135
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: 3
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -110.714390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.714390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.714390 (E_RNA)
where:
Base-Base interactions energy: -44.587
where: short stacking energy: -31.936
Base-Backbone interact. energy: -0.343
local terms energy: -65.784469
where:
bonds (distance) C4'-P energy: -20.825
bonds (distance) P-C4' energy: -19.613
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -0.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -112.992939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.992939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.992939 (E_RNA)
where:
Base-Base interactions energy: -43.004
where: short stacking energy: -38.913
Base-Backbone interact. energy: -0.729
local terms energy: -69.259518
where:
bonds (distance) C4'-P energy: -17.964
bonds (distance) P-C4' energy: -18.949
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -15.506
tors. eta vs tors. theta energy: -1.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -106.965420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.965420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.965420 (E_RNA)
where:
Base-Base interactions energy: -49.834
where: short stacking energy: -27.670
Base-Backbone interact. energy: -1.790
local terms energy: -55.341998
where:
bonds (distance) C4'-P energy: -20.175
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: 5.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -395.312366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.312366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.312366 (E_RNA)
where:
Base-Base interactions energy: -283.688
where: short stacking energy: -109.621
Base-Backbone interact. energy: -0.016
local terms energy: -111.608227
where:
bonds (distance) C4'-P energy: -21.186
bonds (distance) P-C4' energy: -22.700
flat angles C4'-P-C4' energy: -22.818
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -33.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -389.155764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.155764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.155764 (E_RNA)
where:
Base-Base interactions energy: -273.307
where: short stacking energy: -111.565
Base-Backbone interact. energy: -0.217
local terms energy: -115.631112
where:
bonds (distance) C4'-P energy: -20.114
bonds (distance) P-C4' energy: -20.339
flat angles C4'-P-C4' energy: -23.246
flat angles P-C4'-P energy: -16.683
tors. eta vs tors. theta energy: -35.250
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: 5
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -383.107903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.107903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.107903 (E_RNA)
where:
Base-Base interactions energy: -267.565
where: short stacking energy: -106.169
Base-Backbone interact. energy: -0.001
local terms energy: -115.542311
where:
bonds (distance) C4'-P energy: -21.466
bonds (distance) P-C4' energy: -25.781
flat angles C4'-P-C4' energy: -19.006
flat angles P-C4'-P energy: -16.191
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: 4, replica: 6
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -382.374971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.374971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.374971 (E_RNA)
where:
Base-Base interactions energy: -275.620
where: short stacking energy: -113.832
Base-Backbone interact. energy: -0.282
local terms energy: -106.473480
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -26.546
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -35.394
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: 7
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -361.535843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.535843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.535843 (E_RNA)
where:
Base-Base interactions energy: -245.937
where: short stacking energy: -111.138
Base-Backbone interact. energy: -0.044
local terms energy: -115.554858
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -25.121
flat angles C4'-P-C4' energy: -25.129
flat angles P-C4'-P energy: -15.326
tors. eta vs tors. theta energy: -33.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -340.267430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.267430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.267430 (E_RNA)
where:
Base-Base interactions energy: -240.557
where: short stacking energy: -101.772
Base-Backbone interact. energy: -0.062
local terms energy: -99.648256
where:
bonds (distance) C4'-P energy: -21.389
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -14.140
tors. eta vs tors. theta energy: -31.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -142.333921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.333921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.333921 (E_RNA)
where:
Base-Base interactions energy: -61.455
where: short stacking energy: -45.701
Base-Backbone interact. energy: -0.026
local terms energy: -80.852296
where:
bonds (distance) C4'-P energy: -19.198
bonds (distance) P-C4' energy: -19.726
flat angles C4'-P-C4' energy: -20.596
flat angles P-C4'-P energy: -14.652
tors. eta vs tors. theta energy: -6.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -330.492462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.492462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.492462 (E_RNA)
where:
Base-Base interactions energy: -223.987
where: short stacking energy: -92.273
Base-Backbone interact. energy: -0.888
local terms energy: -105.617519
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -24.648
flat angles C4'-P-C4' energy: -23.435
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -29.077
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: 1
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -115.590833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.590833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.590833 (E_RNA)
where:
Base-Base interactions energy: -38.386
where: short stacking energy: -38.386
Base-Backbone interact. energy: -0.205
local terms energy: -76.999147
where:
bonds (distance) C4'-P energy: -22.987
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -23.741
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -3.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -100.849128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.849128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.849128 (E_RNA)
where:
Base-Base interactions energy: -40.003
where: short stacking energy: -35.184
Base-Backbone interact. energy: -0.153
local terms energy: -60.693592
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -20.996
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: 1.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -395.257816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.257816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.257816 (E_RNA)
where:
Base-Base interactions energy: -276.380
where: short stacking energy: -116.745
Base-Backbone interact. energy: -0.355
local terms energy: -118.522999
where:
bonds (distance) C4'-P energy: -24.042
bonds (distance) P-C4' energy: -23.310
flat angles C4'-P-C4' energy: -25.884
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -32.551
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: 5
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -387.095375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.095375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.095375 (E_RNA)
where:
Base-Base interactions energy: -268.185
where: short stacking energy: -111.483
Base-Backbone interact. energy: -0.015
local terms energy: -118.895869
where:
bonds (distance) C4'-P energy: -23.993
bonds (distance) P-C4' energy: -23.034
flat angles C4'-P-C4' energy: -24.340
flat angles P-C4'-P energy: -16.532
tors. eta vs tors. theta energy: -30.996
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: 2
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -376.238113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.238113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.238113 (E_RNA)
where:
Base-Base interactions energy: -269.794
where: short stacking energy: -112.566
Base-Backbone interact. energy: -0.006
local terms energy: -106.437585
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -18.939
flat angles C4'-P-C4' energy: -20.992
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -33.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -351.781953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.781953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.781953 (E_RNA)
where:
Base-Base interactions energy: -247.940
where: short stacking energy: -102.988
Base-Backbone interact. energy: -0.259
local terms energy: -103.582942
where:
bonds (distance) C4'-P energy: -17.873
bonds (distance) P-C4' energy: -22.479
flat angles C4'-P-C4' energy: -22.475
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -29.162
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: 6
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -370.331325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.331325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.331325 (E_RNA)
where:
Base-Base interactions energy: -260.923
where: short stacking energy: -99.151
Base-Backbone interact. energy: -0.420
local terms energy: -108.987790
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -25.144
flat angles C4'-P-C4' energy: -20.833
flat angles P-C4'-P energy: -12.145
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: 6, replica: 10
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -365.459011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.459011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.459011 (E_RNA)
where:
Base-Base interactions energy: -253.062
where: short stacking energy: -114.271
Base-Backbone interact. energy: -0.036
local terms energy: -112.360933
where:
bonds (distance) C4'-P energy: -20.156
bonds (distance) P-C4' energy: -22.152
flat angles C4'-P-C4' energy: -22.599
flat angles P-C4'-P energy: -14.300
tors. eta vs tors. theta energy: -33.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -113.444740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.444740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.444740 (E_RNA)
where:
Base-Base interactions energy: -40.090
where: short stacking energy: -34.824
Base-Backbone interact. energy: -1.189
local terms energy: -72.165560
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -24.036
flat angles C4'-P-C4' energy: -19.198
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -5.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -307.377154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.377154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.377154 (E_RNA)
where:
Base-Base interactions energy: -228.218
where: short stacking energy: -88.919
Base-Backbone interact. energy: -0.388
local terms energy: -78.770608
where:
bonds (distance) C4'-P energy: -19.090
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -23.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -111.660351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.660351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.660351 (E_RNA)
where:
Base-Base interactions energy: -51.888
where: short stacking energy: -34.755
Base-Backbone interact. energy: -0.886
local terms energy: -58.885839
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -19.440
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: 1.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -104.405734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.405734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.405734 (E_RNA)
where:
Base-Base interactions energy: -41.174
where: short stacking energy: -30.954
Base-Backbone interact. energy: 0.539
local terms energy: -63.770899
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -19.404
flat angles P-C4'-P energy: -5.297
tors. eta vs tors. theta energy: -0.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -392.306444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.306444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.306444 (E_RNA)
where:
Base-Base interactions energy: -274.162
where: short stacking energy: -109.108
Base-Backbone interact. energy: 1.482
local terms energy: -119.626959
where:
bonds (distance) C4'-P energy: -23.433
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -20.993
flat angles P-C4'-P energy: -20.624
tors. eta vs tors. theta energy: -32.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -391.732526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.732526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.732526 (E_RNA)
where:
Base-Base interactions energy: -277.259
where: short stacking energy: -111.739
Base-Backbone interact. energy: -0.957
local terms energy: -113.516778
where:
bonds (distance) C4'-P energy: -21.318
bonds (distance) P-C4' energy: -23.217
flat angles C4'-P-C4' energy: -22.744
flat angles P-C4'-P energy: -15.516
tors. eta vs tors. theta energy: -30.722
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: 3, replica: 7
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -364.886365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.886365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.886365 (E_RNA)
where:
Base-Base interactions energy: -252.471
where: short stacking energy: -118.132
Base-Backbone interact. energy: -0.280
local terms energy: -112.134795
where:
bonds (distance) C4'-P energy: -18.222
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -26.140
flat angles P-C4'-P energy: -18.704
tors. eta vs tors. theta energy: -31.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -369.970717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.970717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.970717 (E_RNA)
where:
Base-Base interactions energy: -268.900
where: short stacking energy: -97.886
Base-Backbone interact. energy: -0.678
local terms energy: -100.392611
where:
bonds (distance) C4'-P energy: -18.410
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -16.808
tors. eta vs tors. theta energy: -26.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -354.388608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.388608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.388608 (E_RNA)
where:
Base-Base interactions energy: -240.774
where: short stacking energy: -106.652
Base-Backbone interact. energy: -0.001
local terms energy: -113.613852
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -23.003
flat angles C4'-P-C4' energy: -26.004
flat angles P-C4'-P energy: -15.989
tors. eta vs tors. theta energy: -33.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -361.798447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.798447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.798447 (E_RNA)
where:
Base-Base interactions energy: -252.124
where: short stacking energy: -103.550
Base-Backbone interact. energy: -0.616
local terms energy: -109.058514
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -21.350
flat angles C4'-P-C4' energy: -20.726
flat angles P-C4'-P energy: -16.736
tors. eta vs tors. theta energy: -33.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -313.325098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.325098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.325098 (E_RNA)
where:
Base-Base interactions energy: -228.059
where: short stacking energy: -81.237
Base-Backbone interact. energy: -0.209
local terms energy: -85.057855
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -19.832
flat angles P-C4'-P energy: -13.273
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: 8, replica: 3
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -113.979628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.979628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.979628 (E_RNA)
where:
Base-Base interactions energy: -47.783
where: short stacking energy: -45.048
Base-Backbone interact. energy: 1.267
local terms energy: -67.463497
where:
bonds (distance) C4'-P energy: -18.466
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -2.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -138.896144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.896144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.896144 (E_RNA)
where:
Base-Base interactions energy: -64.251
where: short stacking energy: -34.588
Base-Backbone interact. energy: 0.127
local terms energy: -74.773010
where:
bonds (distance) C4'-P energy: -18.006
bonds (distance) P-C4' energy: -22.727
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -10.880
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: 1
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -110.575654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.575654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.575654 (E_RNA)
where:
Base-Base interactions energy: -39.901
where: short stacking energy: -36.210
Base-Backbone interact. energy: -1.096
local terms energy: -69.578573
where:
bonds (distance) C4'-P energy: -20.059
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -21.357
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -0.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -393.946710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.946710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.946710 (E_RNA)
where:
Base-Base interactions energy: -278.088
where: short stacking energy: -113.303
Base-Backbone interact. energy: -0.004
local terms energy: -115.854973
where:
bonds (distance) C4'-P energy: -21.951
bonds (distance) P-C4' energy: -22.845
flat angles C4'-P-C4' energy: -26.376
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -34.775
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: 9
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -393.281128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.281128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.281128 (E_RNA)
where:
Base-Base interactions energy: -276.723
where: short stacking energy: -112.779
Base-Backbone interact. energy: -0.106
local terms energy: -116.452804
where:
bonds (distance) C4'-P energy: -20.432
bonds (distance) P-C4' energy: -24.980
flat angles C4'-P-C4' energy: -22.119
flat angles P-C4'-P energy: -16.950
tors. eta vs tors. theta energy: -31.972
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: 453
Temperature: 1.000000
Total energy: -370.714396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.714396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.714396 (E_RNA)
where:
Base-Base interactions energy: -257.871
where: short stacking energy: -112.811
Base-Backbone interact. energy: -0.015
local terms energy: -112.827696
where:
bonds (distance) C4'-P energy: -21.780
bonds (distance) P-C4' energy: -18.201
flat angles C4'-P-C4' energy: -25.553
flat angles P-C4'-P energy: -16.898
tors. eta vs tors. theta energy: -30.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -364.138442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.138442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.138442 (E_RNA)
where:
Base-Base interactions energy: -245.188
where: short stacking energy: -105.987
Base-Backbone interact. energy: -0.282
local terms energy: -118.668590
where:
bonds (distance) C4'-P energy: -18.827
bonds (distance) P-C4' energy: -20.688
flat angles C4'-P-C4' energy: -22.956
flat angles P-C4'-P energy: -20.934
tors. eta vs tors. theta energy: -35.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -366.442936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.442936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.442936 (E_RNA)
where:
Base-Base interactions energy: -258.377
where: short stacking energy: -95.761
Base-Backbone interact. energy: -0.041
local terms energy: -108.024834
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -22.390
flat angles C4'-P-C4' energy: -23.505
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -31.839
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: 6
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -373.585729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.585729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.585729 (E_RNA)
where:
Base-Base interactions energy: -260.979
where: short stacking energy: -109.802
Base-Backbone interact. energy: -0.193
local terms energy: -112.413690
where:
bonds (distance) C4'-P energy: -22.785
bonds (distance) P-C4' energy: -23.545
flat angles C4'-P-C4' energy: -20.396
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -34.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -303.215462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.215462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.215462 (E_RNA)
where:
Base-Base interactions energy: -216.774
where: short stacking energy: -69.096
Base-Backbone interact. energy: 1.098
local terms energy: -87.539704
where:
bonds (distance) C4'-P energy: -17.659
bonds (distance) P-C4' energy: -7.729
flat angles C4'-P-C4' energy: -24.963
flat angles P-C4'-P energy: -16.559
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: 453
Temperature: 1.250000
Total energy: -115.349684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.349684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.349684 (E_RNA)
where:
Base-Base interactions energy: -38.839
where: short stacking energy: -38.301
Base-Backbone interact. energy: -0.244
local terms energy: -76.267271
where:
bonds (distance) C4'-P energy: -16.154
bonds (distance) P-C4' energy: -23.489
flat angles C4'-P-C4' energy: -21.669
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -4.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -122.859562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.859562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.859562 (E_RNA)
where:
Base-Base interactions energy: -48.233
where: short stacking energy: -45.327
Base-Backbone interact. energy: 0.298
local terms energy: -74.924892
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -22.117
flat angles P-C4'-P energy: -14.944
tors. eta vs tors. theta energy: -5.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -99.241521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.241521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.241521 (E_RNA)
where:
Base-Base interactions energy: -32.170
where: short stacking energy: -32.150
Base-Backbone interact. energy: 0.222
local terms energy: -67.293252
where:
bonds (distance) C4'-P energy: -19.771
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -8.721
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -4.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -393.716777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.716777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.716777 (E_RNA)
where:
Base-Base interactions energy: -275.659
where: short stacking energy: -115.458
Base-Backbone interact. energy: -0.422
local terms energy: -117.636408
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -22.443
flat angles C4'-P-C4' energy: -21.941
flat angles P-C4'-P energy: -18.076
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: 2, replica: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -387.382882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.382882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.382882 (E_RNA)
where:
Base-Base interactions energy: -274.530
where: short stacking energy: -111.315
Base-Backbone interact. energy: -0.005
local terms energy: -112.848446
where:
bonds (distance) C4'-P energy: -21.555
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -24.858
flat angles P-C4'-P energy: -14.422
tors. eta vs tors. theta energy: -33.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -371.371026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.371026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.371026 (E_RNA)
where:
Base-Base interactions energy: -251.690
where: short stacking energy: -110.637
Base-Backbone interact. energy: -0.001
local terms energy: -119.679296
where:
bonds (distance) C4'-P energy: -20.263
bonds (distance) P-C4' energy: -22.292
flat angles C4'-P-C4' energy: -25.902
flat angles P-C4'-P energy: -15.650
tors. eta vs tors. theta energy: -35.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -358.883812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.883812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.883812 (E_RNA)
where:
Base-Base interactions energy: -244.458
where: short stacking energy: -111.429
Base-Backbone interact. energy: -0.612
local terms energy: -113.814175
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -20.441
flat angles C4'-P-C4' energy: -22.861
flat angles P-C4'-P energy: -20.098
tors. eta vs tors. theta energy: -35.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -370.527222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.527222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.527222 (E_RNA)
where:
Base-Base interactions energy: -250.757
where: short stacking energy: -99.950
Base-Backbone interact. energy: -0.420
local terms energy: -119.350036
where:
bonds (distance) C4'-P energy: -26.071
bonds (distance) P-C4' energy: -22.135
flat angles C4'-P-C4' energy: -23.984
flat angles P-C4'-P energy: -15.615
tors. eta vs tors. theta energy: -31.544
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: 454
Temperature: 1.150000
Total energy: -361.957611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.957611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.957611 (E_RNA)
where:
Base-Base interactions energy: -249.404
where: short stacking energy: -99.834
Base-Backbone interact. energy: -0.055
local terms energy: -112.498706
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -21.138
flat angles P-C4'-P energy: -19.477
tors. eta vs tors. theta energy: -34.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -296.072360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.072360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.072360 (E_RNA)
where:
Base-Base interactions energy: -207.890
where: short stacking energy: -90.261
Base-Backbone interact. energy: -0.798
local terms energy: -87.384575
where:
bonds (distance) C4'-P energy: -5.997
bonds (distance) P-C4' energy: -19.455
flat angles C4'-P-C4' energy: -20.956
flat angles P-C4'-P energy: -17.494
tors. eta vs tors. theta energy: -23.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -110.572918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.572918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.572918 (E_RNA)
where:
Base-Base interactions energy: -41.404
where: short stacking energy: -31.715
Base-Backbone interact. energy: -0.129
local terms energy: -69.040569
where:
bonds (distance) C4'-P energy: -18.295
bonds (distance) P-C4' energy: -19.062
flat angles C4'-P-C4' energy: -19.138
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -0.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -106.037716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.037716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.037716 (E_RNA)
where:
Base-Base interactions energy: -40.055
where: short stacking energy: -35.170
Base-Backbone interact. energy: -0.069
local terms energy: -65.913648
where:
bonds (distance) C4'-P energy: -19.053
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -0.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -120.748270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.748270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.748270 (E_RNA)
where:
Base-Base interactions energy: -50.594
where: short stacking energy: -39.206
Base-Backbone interact. energy: -0.174
local terms energy: -69.979911
where:
bonds (distance) C4'-P energy: -21.409
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -391.713810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.713810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.713810 (E_RNA)
where:
Base-Base interactions energy: -273.390
where: short stacking energy: -110.324
Base-Backbone interact. energy: -0.930
local terms energy: -117.394200
where:
bonds (distance) C4'-P energy: -21.558
bonds (distance) P-C4' energy: -22.281
flat angles C4'-P-C4' energy: -24.818
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -33.323
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: 10
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -375.040647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.040647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.040647 (E_RNA)
where:
Base-Base interactions energy: -254.941
where: short stacking energy: -121.622
Base-Backbone interact. energy: 0.410
local terms energy: -120.509407
where:
bonds (distance) C4'-P energy: -20.762
bonds (distance) P-C4' energy: -21.588
flat angles C4'-P-C4' energy: -24.206
flat angles P-C4'-P energy: -21.176
tors. eta vs tors. theta energy: -32.777
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: 5
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -380.410627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.410627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.410627 (E_RNA)
where:
Base-Base interactions energy: -269.054
where: short stacking energy: -103.197
Base-Backbone interact. energy: 0.591
local terms energy: -111.947892
where:
bonds (distance) C4'-P energy: -17.626
bonds (distance) P-C4' energy: -18.781
flat angles C4'-P-C4' energy: -24.207
flat angles P-C4'-P energy: -17.125
tors. eta vs tors. theta energy: -34.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -374.341392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.341392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.341392 (E_RNA)
where:
Base-Base interactions energy: -268.742
where: short stacking energy: -106.355
Base-Backbone interact. energy: -0.042
local terms energy: -105.557294
where:
bonds (distance) C4'-P energy: -20.286
bonds (distance) P-C4' energy: -14.929
flat angles C4'-P-C4' energy: -22.957
flat angles P-C4'-P energy: -13.428
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: 5, replica: 7
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -355.162514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.162514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.162514 (E_RNA)
where:
Base-Base interactions energy: -256.761
where: short stacking energy: -114.952
Base-Backbone interact. energy: 0.976
local terms energy: -99.378044
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -14.492
tors. eta vs tors. theta energy: -31.302
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: 6, replica: 2
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -367.485691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.485691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.485691 (E_RNA)
where:
Base-Base interactions energy: -262.647
where: short stacking energy: -105.536
Base-Backbone interact. energy: -0.289
local terms energy: -104.549596
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -16.313
flat angles C4'-P-C4' energy: -24.214
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -35.617
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: 8
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -284.722336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.722336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.722336 (E_RNA)
where:
Base-Base interactions energy: -202.559
where: short stacking energy: -99.474
Base-Backbone interact. energy: -0.225
local terms energy: -81.938980
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -24.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -138.428690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.428690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.428690 (E_RNA)
where:
Base-Base interactions energy: -61.444
where: short stacking energy: -42.409
Base-Backbone interact. energy: -0.199
local terms energy: -76.786011
where:
bonds (distance) C4'-P energy: -21.285
bonds (distance) P-C4' energy: -19.549
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -5.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -127.757487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.757487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.757487 (E_RNA)
where:
Base-Base interactions energy: -56.939
where: short stacking energy: -30.325
Base-Backbone interact. energy: -0.242
local terms energy: -70.576793
where:
bonds (distance) C4'-P energy: -21.986
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -17.628
tors. eta vs tors. theta energy: -1.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -101.984258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.984258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.984258 (E_RNA)
where:
Base-Base interactions energy: -33.131
where: short stacking energy: -28.596
Base-Backbone interact. energy: -0.912
local terms energy: -67.940882
where:
bonds (distance) C4'-P energy: -19.639
bonds (distance) P-C4' energy: -22.779
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: 2.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -387.981609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.981609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.981609 (E_RNA)
where:
Base-Base interactions energy: -271.825
where: short stacking energy: -108.501
Base-Backbone interact. energy: -0.156
local terms energy: -116.000252
where:
bonds (distance) C4'-P energy: -21.348
bonds (distance) P-C4' energy: -26.051
flat angles C4'-P-C4' energy: -22.522
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -31.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -370.306478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.306478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.306478 (E_RNA)
where:
Base-Base interactions energy: -255.522
where: short stacking energy: -110.834
Base-Backbone interact. energy: -0.001
local terms energy: -114.783614
where:
bonds (distance) C4'-P energy: -19.666
bonds (distance) P-C4' energy: -22.889
flat angles C4'-P-C4' energy: -25.690
flat angles P-C4'-P energy: -14.384
tors. eta vs tors. theta energy: -32.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -380.156028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.156028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.156028 (E_RNA)
where:
Base-Base interactions energy: -270.445
where: short stacking energy: -111.844
Base-Backbone interact. energy: -0.241
local terms energy: -109.469361
where:
bonds (distance) C4'-P energy: -19.456
bonds (distance) P-C4' energy: -21.024
flat angles C4'-P-C4' energy: -20.629
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -34.799
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: 4, replica: 6
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -387.018225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.018225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.018225 (E_RNA)
where:
Base-Base interactions energy: -271.162
where: short stacking energy: -115.274
Base-Backbone interact. energy: -0.076
local terms energy: -115.780905
where:
bonds (distance) C4'-P energy: -20.772
bonds (distance) P-C4' energy: -21.419
flat angles C4'-P-C4' energy: -22.060
flat angles P-C4'-P energy: -15.222
tors. eta vs tors. theta energy: -36.309
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: 2
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -368.122925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.122925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.122925 (E_RNA)
where:
Base-Base interactions energy: -261.870
where: short stacking energy: -104.653
Base-Backbone interact. energy: -0.117
local terms energy: -106.136065
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -22.369
flat angles C4'-P-C4' energy: -23.737
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -34.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -347.442361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.442361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.442361 (E_RNA)
where:
Base-Base interactions energy: -240.812
where: short stacking energy: -112.507
Base-Backbone interact. energy: -0.056
local terms energy: -106.574944
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -23.529
flat angles C4'-P-C4' energy: -19.872
flat angles P-C4'-P energy: -16.864
tors. eta vs tors. theta energy: -30.235
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: 8
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -283.304093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.304093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.304093 (E_RNA)
where:
Base-Base interactions energy: -189.177
where: short stacking energy: -85.750
Base-Backbone interact. energy: 1.212
local terms energy: -95.339413
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -19.962
flat angles C4'-P-C4' energy: -23.844
flat angles P-C4'-P energy: -15.105
tors. eta vs tors. theta energy: -22.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -156.595157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.595157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.595157 (E_RNA)
where:
Base-Base interactions energy: -88.491
where: short stacking energy: -45.745
Base-Backbone interact. energy: 1.894
local terms energy: -69.998494
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -20.842
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -5.722
tors. eta vs tors. theta energy: -8.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -115.256812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.256812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.256812 (E_RNA)
where:
Base-Base interactions energy: -45.802
where: short stacking energy: -38.492
Base-Backbone interact. energy: -0.117
local terms energy: -69.338059
where:
bonds (distance) C4'-P energy: -19.576
bonds (distance) P-C4' energy: -24.113
flat angles C4'-P-C4' energy: -21.350
flat angles P-C4'-P energy: -5.384
tors. eta vs tors. theta energy: 1.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -105.576227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.576227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.576227 (E_RNA)
where:
Base-Base interactions energy: -42.968
where: short stacking energy: -42.968
Base-Backbone interact. energy: -0.289
local terms energy: -62.319087
where:
bonds (distance) C4'-P energy: -16.005
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -6.220
tors. eta vs tors. theta energy: -6.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -392.253432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.253432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.253432 (E_RNA)
where:
Base-Base interactions energy: -275.908
where: short stacking energy: -110.117
Base-Backbone interact. energy: -0.107
local terms energy: -116.238602
where:
bonds (distance) C4'-P energy: -22.342
bonds (distance) P-C4' energy: -22.237
flat angles C4'-P-C4' energy: -23.138
flat angles P-C4'-P energy: -16.703
tors. eta vs tors. theta energy: -31.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -388.589285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.589285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.589285 (E_RNA)
where:
Base-Base interactions energy: -269.643
where: short stacking energy: -111.175
Base-Backbone interact. energy: -0.385
local terms energy: -118.561077
where:
bonds (distance) C4'-P energy: -22.358
bonds (distance) P-C4' energy: -26.424
flat angles C4'-P-C4' energy: -23.701
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -34.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -363.162940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.162940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.162940 (E_RNA)
where:
Base-Base interactions energy: -246.876
where: short stacking energy: -115.542
Base-Backbone interact. energy: -0.870
local terms energy: -115.417239
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -22.967
flat angles C4'-P-C4' energy: -20.816
flat angles P-C4'-P energy: -16.354
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: 4, replica: 6
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -382.389181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.389181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.389181 (E_RNA)
where:
Base-Base interactions energy: -275.258
where: short stacking energy: -108.934
Base-Backbone interact. energy: -0.834
local terms energy: -106.296785
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -16.496
flat angles C4'-P-C4' energy: -24.746
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -34.133
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: 457
Temperature: 1.100000
Total energy: -380.689418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.689418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.689418 (E_RNA)
where:
Base-Base interactions energy: -277.332
where: short stacking energy: -113.287
Base-Backbone interact. energy: -0.204
local terms energy: -103.153798
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -20.294
flat angles P-C4'-P energy: -13.324
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: 7
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -325.026497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.026497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.026497 (E_RNA)
where:
Base-Base interactions energy: -223.699
where: short stacking energy: -101.167
Base-Backbone interact. energy: -0.169
local terms energy: -101.158844
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -21.339
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -30.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -291.136131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.136131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.136131 (E_RNA)
where:
Base-Base interactions energy: -200.650
where: short stacking energy: -68.693
Base-Backbone interact. energy: 0.293
local terms energy: -90.778617
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -23.452
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -19.335
tors. eta vs tors. theta energy: -16.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -119.986161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.986161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.986161 (E_RNA)
where:
Base-Base interactions energy: -57.664
where: short stacking energy: -46.689
Base-Backbone interact. energy: -0.205
local terms energy: -62.117252
where:
bonds (distance) C4'-P energy: -10.332
bonds (distance) P-C4' energy: -21.422
flat angles C4'-P-C4' energy: -19.371
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -3.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -129.732690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.732690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.732690 (E_RNA)
where:
Base-Base interactions energy: -62.192
where: short stacking energy: -51.762
Base-Backbone interact. energy: -0.343
local terms energy: -67.197167
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -19.836
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -9.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -114.511461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.511461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.511461 (E_RNA)
where:
Base-Base interactions energy: -46.272
where: short stacking energy: -40.580
Base-Backbone interact. energy: -1.850
local terms energy: -66.389340
where:
bonds (distance) C4'-P energy: -19.712
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -6.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -390.654086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.654086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.654086 (E_RNA)
where:
Base-Base interactions energy: -276.629
where: short stacking energy: -109.914
Base-Backbone interact. energy: -0.283
local terms energy: -113.742000
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -23.812
flat angles C4'-P-C4' energy: -21.235
flat angles P-C4'-P energy: -15.291
tors. eta vs tors. theta energy: -33.485
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: 2, replica: 9
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -386.294573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.294573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.294573 (E_RNA)
where:
Base-Base interactions energy: -276.417
where: short stacking energy: -111.148
Base-Backbone interact. energy: -0.027
local terms energy: -109.850739
where:
bonds (distance) C4'-P energy: -21.868
bonds (distance) P-C4' energy: -18.941
flat angles C4'-P-C4' energy: -23.700
flat angles P-C4'-P energy: -15.962
tors. eta vs tors. theta energy: -29.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -381.912895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.912895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.912895 (E_RNA)
where:
Base-Base interactions energy: -269.672
where: short stacking energy: -116.070
Base-Backbone interact. energy: -0.007
local terms energy: -112.233823
where:
bonds (distance) C4'-P energy: -20.836
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -22.285
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -36.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -354.007098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.007098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.007098 (E_RNA)
where:
Base-Base interactions energy: -243.916
where: short stacking energy: -109.406
Base-Backbone interact. energy: -0.239
local terms energy: -109.852730
where:
bonds (distance) C4'-P energy: -19.799
bonds (distance) P-C4' energy: -20.692
flat angles C4'-P-C4' energy: -25.203
flat angles P-C4'-P energy: -15.008
tors. eta vs tors. theta energy: -29.151
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: 7
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -332.580374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.580374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.580374 (E_RNA)
where:
Base-Base interactions energy: -221.831
where: short stacking energy: -94.325
Base-Backbone interact. energy: -0.712
local terms energy: -110.037471
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -22.131
flat angles P-C4'-P energy: -19.716
tors. eta vs tors. theta energy: -30.893
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: 458
Temperature: 1.150000
Total energy: -367.080002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.080002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.080002 (E_RNA)
where:
Base-Base interactions energy: -266.054
where: short stacking energy: -107.747
Base-Backbone interact. energy: -0.008
local terms energy: -101.017871
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -23.452
flat angles P-C4'-P energy: -14.429
tors. eta vs tors. theta energy: -33.750
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: 8
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -300.449687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.449687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.449687 (E_RNA)
where:
Base-Base interactions energy: -206.060
where: short stacking energy: -83.246
Base-Backbone interact. energy: -0.263
local terms energy: -94.126415
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -23.691
flat angles C4'-P-C4' energy: -22.135
flat angles P-C4'-P energy: -13.889
tors. eta vs tors. theta energy: -19.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -117.480607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.480607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.480607 (E_RNA)
where:
Base-Base interactions energy: -51.260
where: short stacking energy: -39.176
Base-Backbone interact. energy: -1.142
local terms energy: -65.079064
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -19.965
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -4.231
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: 4
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -111.953458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.953458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.953458 (E_RNA)
where:
Base-Base interactions energy: -42.371
where: short stacking energy: -30.306
Base-Backbone interact. energy: 1.470
local terms energy: -71.052320
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -18.806
flat angles C4'-P-C4' energy: -19.444
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -3.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -101.150227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.150227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.150227 (E_RNA)
where:
Base-Base interactions energy: -27.247
where: short stacking energy: -26.241
Base-Backbone interact. energy: 1.500
local terms energy: -75.403863
where:
bonds (distance) C4'-P energy: -23.402
bonds (distance) P-C4' energy: -21.191
flat angles C4'-P-C4' energy: -20.289
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: 2.739
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: 5
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -392.565417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.565417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.565417 (E_RNA)
where:
Base-Base interactions energy: -271.872
where: short stacking energy: -110.602
Base-Backbone interact. energy: -0.101
local terms energy: -120.592737
where:
bonds (distance) C4'-P energy: -21.913
bonds (distance) P-C4' energy: -24.116
flat angles C4'-P-C4' energy: -22.554
flat angles P-C4'-P energy: -16.992
tors. eta vs tors. theta energy: -35.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -388.119042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.119042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.119042 (E_RNA)
where:
Base-Base interactions energy: -278.320
where: short stacking energy: -112.080
Base-Backbone interact. energy: -0.060
local terms energy: -109.739074
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -24.059
flat angles P-C4'-P energy: -15.245
tors. eta vs tors. theta energy: -32.436
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: 459
Temperature: 1.000000
Total energy: -382.378730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.378730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.378730 (E_RNA)
where:
Base-Base interactions energy: -263.090
where: short stacking energy: -104.003
Base-Backbone interact. energy: -0.002
local terms energy: -119.286414
where:
bonds (distance) C4'-P energy: -23.583
bonds (distance) P-C4' energy: -21.838
flat angles C4'-P-C4' energy: -21.405
flat angles P-C4'-P energy: -16.771
tors. eta vs tors. theta energy: -35.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -356.299859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.299859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.299859 (E_RNA)
where:
Base-Base interactions energy: -247.502
where: short stacking energy: -99.604
Base-Backbone interact. energy: -0.212
local terms energy: -108.586256
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -25.857
flat angles C4'-P-C4' energy: -20.176
flat angles P-C4'-P energy: -18.107
tors. eta vs tors. theta energy: -31.238
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: 5, replica: 7
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -348.669139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.669139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.669139 (E_RNA)
where:
Base-Base interactions energy: -242.406
where: short stacking energy: -102.956
Base-Backbone interact. energy: -0.042
local terms energy: -106.221340
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -23.984
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -30.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -366.618230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.618230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.618230 (E_RNA)
where:
Base-Base interactions energy: -257.367
where: short stacking energy: -96.407
Base-Backbone interact. energy: -0.053
local terms energy: -109.198159
where:
bonds (distance) C4'-P energy: -18.764
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -15.227
tors. eta vs tors. theta energy: -33.722
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: 8
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -255.812826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.812826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.812826 (E_RNA)
where:
Base-Base interactions energy: -173.787
where: short stacking energy: -67.729
Base-Backbone interact. energy: -0.328
local terms energy: -81.698246
where:
bonds (distance) C4'-P energy: -18.363
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -18.491
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -15.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -122.715278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.715278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.715278 (E_RNA)
where:
Base-Base interactions energy: -50.938
where: short stacking energy: -50.106
Base-Backbone interact. energy: 2.136
local terms energy: -73.913534
where:
bonds (distance) C4'-P energy: -18.726
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -10.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -105.753384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.753384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.753384 (E_RNA)
where:
Base-Base interactions energy: -39.351
where: short stacking energy: -38.623
Base-Backbone interact. energy: -0.273
local terms energy: -66.128700
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -11.196
flat angles C4'-P-C4' energy: -22.050
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -6.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -95.601592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.601592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.601592 (E_RNA)
where:
Base-Base interactions energy: -27.472
where: short stacking energy: -27.472
Base-Backbone interact. energy: 0.798
local terms energy: -68.927456
where:
bonds (distance) C4'-P energy: -21.007
bonds (distance) P-C4' energy: -23.020
flat angles C4'-P-C4' energy: -19.410
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: 0.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -397.231225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.231225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.231225 (E_RNA)
where:
Base-Base interactions energy: -283.976
where: short stacking energy: -112.005
Base-Backbone interact. energy: -0.094
local terms energy: -113.160728
where:
bonds (distance) C4'-P energy: -25.983
bonds (distance) P-C4' energy: -21.513
flat angles C4'-P-C4' energy: -22.038
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -32.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -385.453053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.453053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.453053 (E_RNA)
where:
Base-Base interactions energy: -268.976
where: short stacking energy: -110.236
Base-Backbone interact. energy: -0.003
local terms energy: -116.473807
where:
bonds (distance) C4'-P energy: -24.701
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -21.664
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -33.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -389.853872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.853872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.853872 (E_RNA)
where:
Base-Base interactions energy: -268.164
where: short stacking energy: -104.466
Base-Backbone interact. energy: -0.157
local terms energy: -121.533273
where:
bonds (distance) C4'-P energy: -21.260
bonds (distance) P-C4' energy: -23.297
flat angles C4'-P-C4' energy: -23.842
flat angles P-C4'-P energy: -18.264
tors. eta vs tors. theta energy: -34.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -350.991142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.991142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.991142 (E_RNA)
where:
Base-Base interactions energy: -247.590
where: short stacking energy: -111.381
Base-Backbone interact. energy: -0.004
local terms energy: -103.397245
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -18.075
flat angles C4'-P-C4' energy: -20.744
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -35.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -373.309750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.309750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.309750 (E_RNA)
where:
Base-Base interactions energy: -256.762
where: short stacking energy: -102.415
Base-Backbone interact. energy: -0.403
local terms energy: -116.144722
where:
bonds (distance) C4'-P energy: -21.306
bonds (distance) P-C4' energy: -21.498
flat angles C4'-P-C4' energy: -23.191
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -36.473
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: 7
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -340.118722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.118722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.118722 (E_RNA)
where:
Base-Base interactions energy: -242.216
where: short stacking energy: -97.815
Base-Backbone interact. energy: 0.525
local terms energy: -98.427895
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -21.357
flat angles C4'-P-C4' energy: -19.728
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -29.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -272.024001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.024001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.024001 (E_RNA)
where:
Base-Base interactions energy: -183.865
where: short stacking energy: -80.344
Base-Backbone interact. energy: 1.099
local terms energy: -89.258113
where:
bonds (distance) C4'-P energy: -21.004
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -15.389
tors. eta vs tors. theta energy: -14.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -123.693744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.693744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.693744 (E_RNA)
where:
Base-Base interactions energy: -50.057
where: short stacking energy: -46.751
Base-Backbone interact. energy: 0.690
local terms energy: -74.326478
where:
bonds (distance) C4'-P energy: -17.504
bonds (distance) P-C4' energy: -23.522
flat angles C4'-P-C4' energy: -20.118
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -4.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -112.014558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.014558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.014558 (E_RNA)
where:
Base-Base interactions energy: -41.953
where: short stacking energy: -32.492
Base-Backbone interact. energy: 0.069
local terms energy: -70.130506
where:
bonds (distance) C4'-P energy: -20.623
bonds (distance) P-C4' energy: -23.349
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -1.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -97.201459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.201459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.201459 (E_RNA)
where:
Base-Base interactions energy: -32.273
where: short stacking energy: -27.127
Base-Backbone interact. energy: -0.220
local terms energy: -64.709306
where:
bonds (distance) C4'-P energy: -19.819
bonds (distance) P-C4' energy: -20.798
flat angles C4'-P-C4' energy: -19.367
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: 4.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -387.304708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.304708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.304708 (E_RNA)
where:
Base-Base interactions energy: -270.352
where: short stacking energy: -108.364
Base-Backbone interact. energy: -0.446
local terms energy: -116.506698
where:
bonds (distance) C4'-P energy: -20.230
bonds (distance) P-C4' energy: -25.054
flat angles C4'-P-C4' energy: -24.068
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -32.616
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: 5
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -384.295083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.295083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.295083 (E_RNA)
where:
Base-Base interactions energy: -272.351
where: short stacking energy: -110.129
Base-Backbone interact. energy: -0.003
local terms energy: -111.940875
where:
bonds (distance) C4'-P energy: -21.641
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -22.883
flat angles P-C4'-P energy: -15.372
tors. eta vs tors. theta energy: -34.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -376.652736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.652736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.652736 (E_RNA)
where:
Base-Base interactions energy: -262.340
where: short stacking energy: -109.341
Base-Backbone interact. energy: 0.854
local terms energy: -115.166726
where:
bonds (distance) C4'-P energy: -19.075
bonds (distance) P-C4' energy: -22.182
flat angles C4'-P-C4' energy: -23.021
flat angles P-C4'-P energy: -17.876
tors. eta vs tors. theta energy: -33.012
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: 461
Temperature: 1.050000
Total energy: -379.860304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.860304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.860304 (E_RNA)
where:
Base-Base interactions energy: -271.214
where: short stacking energy: -111.239
Base-Backbone interact. energy: -0.102
local terms energy: -108.544177
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -18.265
flat angles C4'-P-C4' energy: -25.572
flat angles P-C4'-P energy: -15.377
tors. eta vs tors. theta energy: -33.448
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: 10
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -352.467320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.467320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.467320 (E_RNA)
where:
Base-Base interactions energy: -240.627
where: short stacking energy: -102.558
Base-Backbone interact. energy: -0.361
local terms energy: -111.480215
where:
bonds (distance) C4'-P energy: -21.769
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -23.885
flat angles P-C4'-P energy: -18.760
tors. eta vs tors. theta energy: -29.184
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: 7
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -343.879916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.879916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.879916 (E_RNA)
where:
Base-Base interactions energy: -243.273
where: short stacking energy: -97.271
Base-Backbone interact. energy: -0.158
local terms energy: -100.448782
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -20.590
flat angles P-C4'-P energy: -18.652
tors. eta vs tors. theta energy: -30.699
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: 8
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -248.530234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.530234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.530234 (E_RNA)
where:
Base-Base interactions energy: -160.666
where: short stacking energy: -72.051
Base-Backbone interact. energy: -0.254
local terms energy: -87.610134
where:
bonds (distance) C4'-P energy: -19.112
bonds (distance) P-C4' energy: -16.870
flat angles C4'-P-C4' energy: -22.689
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -16.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -115.243017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.243017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.243017 (E_RNA)
where:
Base-Base interactions energy: -44.612
where: short stacking energy: -44.612
Base-Backbone interact. energy: -0.467
local terms energy: -70.164036
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -18.299
flat angles C4'-P-C4' energy: -20.768
flat angles P-C4'-P energy: -15.617
tors. eta vs tors. theta energy: -3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -118.472217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.472217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.472217 (E_RNA)
where:
Base-Base interactions energy: -42.173
where: short stacking energy: -38.879
Base-Backbone interact. energy: -0.251
local terms energy: -76.047818
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -23.673
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -102.647024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.647024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.647024 (E_RNA)
where:
Base-Base interactions energy: -38.262
where: short stacking energy: -37.938
Base-Backbone interact. energy: 1.502
local terms energy: -65.887331
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -9.603
flat angles P-C4'-P energy: -16.050
tors. eta vs tors. theta energy: -3.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -402.702980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.702980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.702980 (E_RNA)
where:
Base-Base interactions energy: -285.975
where: short stacking energy: -120.394
Base-Backbone interact. energy: -0.092
local terms energy: -116.636343
where:
bonds (distance) C4'-P energy: -21.935
bonds (distance) P-C4' energy: -19.318
flat angles C4'-P-C4' energy: -25.780
flat angles P-C4'-P energy: -15.304
tors. eta vs tors. theta energy: -34.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -388.836435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.836435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.836435 (E_RNA)
where:
Base-Base interactions energy: -270.299
where: short stacking energy: -108.438
Base-Backbone interact. energy: -0.013
local terms energy: -118.524007
where:
bonds (distance) C4'-P energy: -19.142
bonds (distance) P-C4' energy: -24.354
flat angles C4'-P-C4' energy: -23.982
flat angles P-C4'-P energy: -17.475
tors. eta vs tors. theta energy: -33.572
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: 2
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -384.934373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.934373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.934373 (E_RNA)
where:
Base-Base interactions energy: -268.854
where: short stacking energy: -104.600
Base-Backbone interact. energy: -0.107
local terms energy: -115.972807
where:
bonds (distance) C4'-P energy: -23.056
bonds (distance) P-C4' energy: -20.233
flat angles C4'-P-C4' energy: -22.941
flat angles P-C4'-P energy: -16.762
tors. eta vs tors. theta energy: -32.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -378.628332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.628332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.628332 (E_RNA)
where:
Base-Base interactions energy: -267.973
where: short stacking energy: -107.528
Base-Backbone interact. energy: -0.094
local terms energy: -110.560682
where:
bonds (distance) C4'-P energy: -20.266
bonds (distance) P-C4' energy: -18.869
flat angles C4'-P-C4' energy: -24.627
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -35.237
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: 7
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -351.081676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.081676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.081676 (E_RNA)
where:
Base-Base interactions energy: -240.484
where: short stacking energy: -109.572
Base-Backbone interact. energy: -0.050
local terms energy: -110.547314
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -20.680
flat angles C4'-P-C4' energy: -25.923
flat angles P-C4'-P energy: -14.047
tors. eta vs tors. theta energy: -33.377
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: 6, replica: 10
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -346.169302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.169302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.169302 (E_RNA)
where:
Base-Base interactions energy: -252.360
where: short stacking energy: -86.946
Base-Backbone interact. energy: -0.135
local terms energy: -93.674452
where:
bonds (distance) C4'-P energy: -19.444
bonds (distance) P-C4' energy: -18.978
flat angles C4'-P-C4' energy: -19.522
flat angles P-C4'-P energy: -13.908
tors. eta vs tors. theta energy: -21.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -259.194326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.194326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.194326 (E_RNA)
where:
Base-Base interactions energy: -161.886
where: short stacking energy: -75.692
Base-Backbone interact. energy: -1.272
local terms energy: -96.036671
where:
bonds (distance) C4'-P energy: -20.435
bonds (distance) P-C4' energy: -20.637
flat angles C4'-P-C4' energy: -22.002
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -20.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -133.039797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.039797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.039797 (E_RNA)
where:
Base-Base interactions energy: -54.348
where: short stacking energy: -51.437
Base-Backbone interact. energy: -0.138
local terms energy: -78.553535
where:
bonds (distance) C4'-P energy: -19.509
bonds (distance) P-C4' energy: -18.999
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -14.181
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: 9, replica: 3
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -103.854990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.854990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.854990 (E_RNA)
where:
Base-Base interactions energy: -38.776
where: short stacking energy: -30.965
Base-Backbone interact. energy: -0.148
local terms energy: -64.930242
where:
bonds (distance) C4'-P energy: -20.441
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -20.167
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: 1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -103.806471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.806471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.806471 (E_RNA)
where:
Base-Base interactions energy: -32.739
where: short stacking energy: -31.882
Base-Backbone interact. energy: 1.793
local terms energy: -72.860870
where:
bonds (distance) C4'-P energy: -20.602
bonds (distance) P-C4' energy: -18.402
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -3.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -397.308239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.308239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.308239 (E_RNA)
where:
Base-Base interactions energy: -283.845
where: short stacking energy: -116.078
Base-Backbone interact. energy: -0.003
local terms energy: -113.460096
where:
bonds (distance) C4'-P energy: -21.454
bonds (distance) P-C4' energy: -23.300
flat angles C4'-P-C4' energy: -21.248
flat angles P-C4'-P energy: -15.431
tors. eta vs tors. theta energy: -32.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -385.485057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.485057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.485057 (E_RNA)
where:
Base-Base interactions energy: -269.610
where: short stacking energy: -107.562
Base-Backbone interact. energy: -0.018
local terms energy: -115.857162
where:
bonds (distance) C4'-P energy: -25.794
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -23.665
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -33.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -387.698338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.698338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.698338 (E_RNA)
where:
Base-Base interactions energy: -269.293
where: short stacking energy: -109.372
Base-Backbone interact. energy: -0.002
local terms energy: -118.402839
where:
bonds (distance) C4'-P energy: -23.058
bonds (distance) P-C4' energy: -26.619
flat angles C4'-P-C4' energy: -20.160
flat angles P-C4'-P energy: -15.090
tors. eta vs tors. theta energy: -33.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -383.180890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.180890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.180890 (E_RNA)
where:
Base-Base interactions energy: -267.390
where: short stacking energy: -103.739
Base-Backbone interact. energy: -0.004
local terms energy: -115.786743
where:
bonds (distance) C4'-P energy: -19.700
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -26.554
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -31.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -340.794926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.794926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.794926 (E_RNA)
where:
Base-Base interactions energy: -227.219
where: short stacking energy: -92.592
Base-Backbone interact. energy: -0.848
local terms energy: -112.728350
where:
bonds (distance) C4'-P energy: -21.881
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -26.038
flat angles P-C4'-P energy: -19.158
tors. eta vs tors. theta energy: -29.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -332.336905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.336905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.336905 (E_RNA)
where:
Base-Base interactions energy: -239.703
where: short stacking energy: -100.535
Base-Backbone interact. energy: 1.292
local terms energy: -93.925718
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -19.355
flat angles P-C4'-P energy: -16.521
tors. eta vs tors. theta energy: -24.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -259.004099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.004099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.004099 (E_RNA)
where:
Base-Base interactions energy: -166.888
where: short stacking energy: -62.807
Base-Backbone interact. energy: -0.077
local terms energy: -92.039071
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -23.240
flat angles C4'-P-C4' energy: -23.607
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -13.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -120.652887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.652887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.652887 (E_RNA)
where:
Base-Base interactions energy: -47.750
where: short stacking energy: -31.882
Base-Backbone interact. energy: -0.311
local terms energy: -72.592057
where:
bonds (distance) C4'-P energy: -20.885
bonds (distance) P-C4' energy: -22.839
flat angles C4'-P-C4' energy: -19.139
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -1.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -110.896867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.896867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.896867 (E_RNA)
where:
Base-Base interactions energy: -36.747
where: short stacking energy: -30.717
Base-Backbone interact. energy: 0.586
local terms energy: -74.736038
where:
bonds (distance) C4'-P energy: -18.826
bonds (distance) P-C4' energy: -20.471
flat angles C4'-P-C4' energy: -19.057
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -3.191
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: 4
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -94.043547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.043547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.043547 (E_RNA)
where:
Base-Base interactions energy: -34.835
where: short stacking energy: -30.051
Base-Backbone interact. energy: -1.837
local terms energy: -57.371952
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -10.373
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: 5
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -394.846402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.846402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.846402 (E_RNA)
where:
Base-Base interactions energy: -281.580
where: short stacking energy: -114.418
Base-Backbone interact. energy: -0.002
local terms energy: -113.264560
where:
bonds (distance) C4'-P energy: -21.396
bonds (distance) P-C4' energy: -23.303
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -16.247
tors. eta vs tors. theta energy: -33.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -381.381327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.381327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.381327 (E_RNA)
where:
Base-Base interactions energy: -271.619
where: short stacking energy: -110.815
Base-Backbone interact. energy: -0.862
local terms energy: -108.899821
where:
bonds (distance) C4'-P energy: -21.028
bonds (distance) P-C4' energy: -20.829
flat angles C4'-P-C4' energy: -20.704
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -35.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -377.454428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.454428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.454428 (E_RNA)
where:
Base-Base interactions energy: -273.756
where: short stacking energy: -110.327
Base-Backbone interact. energy: -0.003
local terms energy: -103.695252
where:
bonds (distance) C4'-P energy: -20.185
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -22.617
flat angles P-C4'-P energy: -15.378
tors. eta vs tors. theta energy: -30.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -376.427660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.427660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.427660 (E_RNA)
where:
Base-Base interactions energy: -276.429
where: short stacking energy: -112.243
Base-Backbone interact. energy: -0.111
local terms energy: -99.887593
where:
bonds (distance) C4'-P energy: -17.555
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -19.121
flat angles P-C4'-P energy: -12.938
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: 7
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -326.554837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.554837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.554837 (E_RNA)
where:
Base-Base interactions energy: -221.559
where: short stacking energy: -92.017
Base-Backbone interact. energy: -0.764
local terms energy: -104.231973
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -22.072
flat angles P-C4'-P energy: -13.713
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: 6, replica: 10
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -340.280285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.280285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.280285 (E_RNA)
where:
Base-Base interactions energy: -235.792
where: short stacking energy: -92.409
Base-Backbone interact. energy: -0.565
local terms energy: -103.923015
where:
bonds (distance) C4'-P energy: -20.089
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -19.722
tors. eta vs tors. theta energy: -25.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -261.574879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.574879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.574879 (E_RNA)
where:
Base-Base interactions energy: -177.964
where: short stacking energy: -83.595
Base-Backbone interact. energy: -0.231
local terms energy: -83.379862
where:
bonds (distance) C4'-P energy: -20.627
bonds (distance) P-C4' energy: -18.212
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -17.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -130.948358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.948358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.948358 (E_RNA)
where:
Base-Base interactions energy: -54.418
where: short stacking energy: -37.203
Base-Backbone interact. energy: -0.267
local terms energy: -76.263471
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -18.945
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -5.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -104.275200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.275200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.275200 (E_RNA)
where:
Base-Base interactions energy: -37.334
where: short stacking energy: -30.530
Base-Backbone interact. energy: -0.310
local terms energy: -66.630341
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -21.027
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -12.620
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: 10, replica: 3
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -108.272306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.272306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.272306 (E_RNA)
where:
Base-Base interactions energy: -47.504
where: short stacking energy: -37.401
Base-Backbone interact. energy: 0.587
local terms energy: -61.355109
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -25.129
flat angles C4'-P-C4' energy: -20.935
flat angles P-C4'-P energy: -0.921
tors. eta vs tors. theta energy: -0.535
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: 5
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -396.843574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.843574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.843574 (E_RNA)
where:
Base-Base interactions energy: -282.507
where: short stacking energy: -112.721
Base-Backbone interact. energy: -0.001
local terms energy: -114.335340
where:
bonds (distance) C4'-P energy: -23.866
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -24.956
flat angles P-C4'-P energy: -15.003
tors. eta vs tors. theta energy: -36.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -387.516392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.516392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.516392 (E_RNA)
where:
Base-Base interactions energy: -269.928
where: short stacking energy: -110.946
Base-Backbone interact. energy: -0.329
local terms energy: -117.259319
where:
bonds (distance) C4'-P energy: -20.659
bonds (distance) P-C4' energy: -24.633
flat angles C4'-P-C4' energy: -20.029
flat angles P-C4'-P energy: -17.296
tors. eta vs tors. theta energy: -34.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -382.682168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.682168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.682168 (E_RNA)
where:
Base-Base interactions energy: -265.121
where: short stacking energy: -105.219
Base-Backbone interact. energy: -0.006
local terms energy: -117.555726
where:
bonds (distance) C4'-P energy: -20.222
bonds (distance) P-C4' energy: -23.627
flat angles C4'-P-C4' energy: -22.230
flat angles P-C4'-P energy: -20.188
tors. eta vs tors. theta energy: -31.288
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: 6
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -377.570111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.570111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.570111 (E_RNA)
where:
Base-Base interactions energy: -265.377
where: short stacking energy: -105.522
Base-Backbone interact. energy: -0.010
local terms energy: -112.183278
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -24.532
flat angles C4'-P-C4' energy: -21.757
flat angles P-C4'-P energy: -14.649
tors. eta vs tors. theta energy: -35.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -351.624812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.624812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.624812 (E_RNA)
where:
Base-Base interactions energy: -244.718
where: short stacking energy: -112.037
Base-Backbone interact. energy: -0.224
local terms energy: -106.683193
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -23.722
flat angles C4'-P-C4' energy: -20.897
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -32.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -329.601668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.601668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.601668 (E_RNA)
where:
Base-Base interactions energy: -223.085
where: short stacking energy: -94.923
Base-Backbone interact. energy: -0.123
local terms energy: -106.393988
where:
bonds (distance) C4'-P energy: -22.685
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -24.424
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -31.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -266.208606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.208606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.208606 (E_RNA)
where:
Base-Base interactions energy: -175.811
where: short stacking energy: -74.450
Base-Backbone interact. energy: -0.174
local terms energy: -90.222994
where:
bonds (distance) C4'-P energy: -19.546
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -20.088
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -22.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -109.882305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.882305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.882305 (E_RNA)
where:
Base-Base interactions energy: -46.704
where: short stacking energy: -34.727
Base-Backbone interact. energy: -0.285
local terms energy: -62.893298
where:
bonds (distance) C4'-P energy: -19.840
bonds (distance) P-C4' energy: -20.949
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -0.720
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: 9, replica: 1
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -109.701857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.701857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.701857 (E_RNA)
where:
Base-Base interactions energy: -41.376
where: short stacking energy: -33.486
Base-Backbone interact. energy: 0.235
local terms energy: -68.560175
where:
bonds (distance) C4'-P energy: -17.567
bonds (distance) P-C4' energy: -24.458
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -4.278
tors. eta vs tors. theta energy: -4.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -102.437940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.437940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.437940 (E_RNA)
where:
Base-Base interactions energy: -33.234
where: short stacking energy: -28.482
Base-Backbone interact. energy: -1.492
local terms energy: -67.712347
where:
bonds (distance) C4'-P energy: -18.006
bonds (distance) P-C4' energy: -20.079
flat angles C4'-P-C4' energy: -20.653
flat angles P-C4'-P energy: -14.575
tors. eta vs tors. theta energy: 5.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -395.128981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.128981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.128981 (E_RNA)
where:
Base-Base interactions energy: -272.152
where: short stacking energy: -112.793
Base-Backbone interact. energy: -0.005
local terms energy: -122.972382
where:
bonds (distance) C4'-P energy: -21.264
bonds (distance) P-C4' energy: -22.707
flat angles C4'-P-C4' energy: -25.492
flat angles P-C4'-P energy: -19.827
tors. eta vs tors. theta energy: -33.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -383.766027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.766027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.766027 (E_RNA)
where:
Base-Base interactions energy: -269.622
where: short stacking energy: -113.797
Base-Backbone interact. energy: -0.237
local terms energy: -113.906852
where:
bonds (distance) C4'-P energy: -23.918
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -20.062
flat angles P-C4'-P energy: -18.133
tors. eta vs tors. theta energy: -33.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -389.673193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.673193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.673193 (E_RNA)
where:
Base-Base interactions energy: -276.443
where: short stacking energy: -115.583
Base-Backbone interact. energy: -0.014
local terms energy: -113.216232
where:
bonds (distance) C4'-P energy: -21.588
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -23.536
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -34.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -380.846755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.846755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.846755 (E_RNA)
where:
Base-Base interactions energy: -268.756
where: short stacking energy: -112.297
Base-Backbone interact. energy: -0.005
local terms energy: -112.085563
where:
bonds (distance) C4'-P energy: -18.810
bonds (distance) P-C4' energy: -20.554
flat angles C4'-P-C4' energy: -23.842
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -32.131
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: 5, replica: 10
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -330.062189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.062189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.062189 (E_RNA)
where:
Base-Base interactions energy: -231.894
where: short stacking energy: -96.634
Base-Backbone interact. energy: -0.414
local terms energy: -97.754699
where:
bonds (distance) C4'-P energy: -21.087
bonds (distance) P-C4' energy: -17.747
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -17.018
tors. eta vs tors. theta energy: -25.569
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: 7
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -336.643980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.643980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.643980 (E_RNA)
where:
Base-Base interactions energy: -237.057
where: short stacking energy: -108.055
Base-Backbone interact. energy: -0.022
local terms energy: -99.565350
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -18.138
flat angles P-C4'-P energy: -18.345
tors. eta vs tors. theta energy: -31.529
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: 7, replica: 8
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -280.740520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.740520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.740520 (E_RNA)
where:
Base-Base interactions energy: -196.194
where: short stacking energy: -76.712
Base-Backbone interact. energy: -0.133
local terms energy: -84.413490
where:
bonds (distance) C4'-P energy: -23.794
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -19.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -111.155404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.155404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.155404 (E_RNA)
where:
Base-Base interactions energy: -47.482
where: short stacking energy: -46.726
Base-Backbone interact. energy: 0.290
local terms energy: -63.963774
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -16.950
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -2.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -111.057389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.057389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.057389 (E_RNA)
where:
Base-Base interactions energy: -51.857
where: short stacking energy: -38.200
Base-Backbone interact. energy: -0.906
local terms energy: -58.294130
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -20.472
flat angles P-C4'-P energy: 1.417
tors. eta vs tors. theta energy: -6.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -100.796328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.796328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.796328 (E_RNA)
where:
Base-Base interactions energy: -35.767
where: short stacking energy: -27.272
Base-Backbone interact. energy: 1.289
local terms energy: -66.318634
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -24.571
flat angles C4'-P-C4' energy: -18.280
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: 6.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -391.489334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.489334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.489334 (E_RNA)
where:
Base-Base interactions energy: -273.210
where: short stacking energy: -108.886
Base-Backbone interact. energy: -0.005
local terms energy: -118.274429
where:
bonds (distance) C4'-P energy: -18.796
bonds (distance) P-C4' energy: -27.093
flat angles C4'-P-C4' energy: -20.930
flat angles P-C4'-P energy: -16.462
tors. eta vs tors. theta energy: -34.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -386.028498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.028498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.028498 (E_RNA)
where:
Base-Base interactions energy: -277.999
where: short stacking energy: -111.668
Base-Backbone interact. energy: -0.243
local terms energy: -107.786625
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -23.932
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: -31.218
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: 3, replica: 5
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -376.590693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.590693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.590693 (E_RNA)
where:
Base-Base interactions energy: -264.055
where: short stacking energy: -105.137
Base-Backbone interact. energy: -0.383
local terms energy: -112.152582
where:
bonds (distance) C4'-P energy: -19.694
bonds (distance) P-C4' energy: -20.318
flat angles C4'-P-C4' energy: -21.919
flat angles P-C4'-P energy: -16.536
tors. eta vs tors. theta energy: -33.686
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: 9
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -371.268400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.268400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.268400 (E_RNA)
where:
Base-Base interactions energy: -264.366
where: short stacking energy: -102.082
Base-Backbone interact. energy: -0.003
local terms energy: -106.899609
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -19.533
flat angles C4'-P-C4' energy: -23.947
flat angles P-C4'-P energy: -15.589
tors. eta vs tors. theta energy: -34.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -348.170505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.170505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.170505 (E_RNA)
where:
Base-Base interactions energy: -240.810
where: short stacking energy: -109.081
Base-Backbone interact. energy: -0.003
local terms energy: -107.358182
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -19.432
flat angles C4'-P-C4' energy: -20.138
flat angles P-C4'-P energy: -18.752
tors. eta vs tors. theta energy: -32.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -337.952044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.952044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.952044 (E_RNA)
where:
Base-Base interactions energy: -233.617
where: short stacking energy: -96.352
Base-Backbone interact. energy: -0.254
local terms energy: -104.081362
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -21.452
flat angles C4'-P-C4' energy: -22.880
flat angles P-C4'-P energy: -18.499
tors. eta vs tors. theta energy: -29.781
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: 8
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -286.617976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.617976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.617976 (E_RNA)
where:
Base-Base interactions energy: -196.310
where: short stacking energy: -88.960
Base-Backbone interact. energy: -0.061
local terms energy: -90.247174
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -19.968
flat angles C4'-P-C4' energy: -19.544
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -23.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -155.374706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.374706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.374706 (E_RNA)
where:
Base-Base interactions energy: -82.602
where: short stacking energy: -39.798
Base-Backbone interact. energy: -0.283
local terms energy: -72.490627
where:
bonds (distance) C4'-P energy: -19.751
bonds (distance) P-C4' energy: -21.427
flat angles C4'-P-C4' energy: -18.541
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: -7.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -123.804895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.804895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.804895 (E_RNA)
where:
Base-Base interactions energy: -51.128
where: short stacking energy: -42.427
Base-Backbone interact. energy: -0.182
local terms energy: -72.495414
where:
bonds (distance) C4'-P energy: -19.347
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -21.387
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -8.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -104.426197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.426197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.426197 (E_RNA)
where:
Base-Base interactions energy: -36.619
where: short stacking energy: -26.391
Base-Backbone interact. energy: -0.102
local terms energy: -67.705943
where:
bonds (distance) C4'-P energy: -20.067
bonds (distance) P-C4' energy: -22.033
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: 1.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -393.994116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.994116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.994116 (E_RNA)
where:
Base-Base interactions energy: -278.498
where: short stacking energy: -111.779
Base-Backbone interact. energy: -0.003
local terms energy: -115.493308
where:
bonds (distance) C4'-P energy: -23.989
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -23.925
flat angles P-C4'-P energy: -15.165
tors. eta vs tors. theta energy: -35.102
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: 2, replica: 2
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -391.461137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.461137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.461137 (E_RNA)
where:
Base-Base interactions energy: -274.638
where: short stacking energy: -114.997
Base-Backbone interact. energy: -0.028
local terms energy: -116.795829
where:
bonds (distance) C4'-P energy: -21.985
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -25.789
flat angles P-C4'-P energy: -17.108
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: 3, replica: 9
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -376.886532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.886532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.886532 (E_RNA)
where:
Base-Base interactions energy: -266.354
where: short stacking energy: -100.743
Base-Backbone interact. energy: -0.025
local terms energy: -110.507302
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -21.315
flat angles C4'-P-C4' energy: -23.013
flat angles P-C4'-P energy: -18.369
tors. eta vs tors. theta energy: -32.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -374.666085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.666085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.666085 (E_RNA)
where:
Base-Base interactions energy: -272.122
where: short stacking energy: -108.336
Base-Backbone interact. energy: -0.418
local terms energy: -102.126329
where:
bonds (distance) C4'-P energy: -21.000
bonds (distance) P-C4' energy: -11.294
flat angles C4'-P-C4' energy: -21.133
flat angles P-C4'-P energy: -16.090
tors. eta vs tors. theta energy: -32.609
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: 7
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -347.864991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.864991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.864991 (E_RNA)
where:
Base-Base interactions energy: -243.693
where: short stacking energy: -102.425
Base-Backbone interact. energy: -0.564
local terms energy: -103.607582
where:
bonds (distance) C4'-P energy: -21.484
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -30.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -336.327960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.327960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.327960 (E_RNA)
where:
Base-Base interactions energy: -237.464
where: short stacking energy: -102.739
Base-Backbone interact. energy: -0.004
local terms energy: -98.859818
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -15.841
flat angles C4'-P-C4' energy: -21.064
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: -33.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -291.188109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.188109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.188109 (E_RNA)
where:
Base-Base interactions energy: -195.596
where: short stacking energy: -89.706
Base-Backbone interact. energy: -0.104
local terms energy: -95.487620
where:
bonds (distance) C4'-P energy: -18.708
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -18.721
tors. eta vs tors. theta energy: -21.804
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: 8, replica: 3
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -118.945329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.945329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.945329 (E_RNA)
where:
Base-Base interactions energy: -39.740
where: short stacking energy: -32.056
Base-Backbone interact. energy: -0.121
local terms energy: -79.084636
where:
bonds (distance) C4'-P energy: -23.123
bonds (distance) P-C4' energy: -17.546
flat angles C4'-P-C4' energy: -23.187
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -6.651
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: 468
Temperature: 1.300000
Total energy: -111.761294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.761294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.761294 (E_RNA)
where:
Base-Base interactions energy: -35.767
where: short stacking energy: -36.567
Base-Backbone interact. energy: -0.308
local terms energy: -75.685797
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -24.176
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -3.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -108.787374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.787374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.787374 (E_RNA)
where:
Base-Base interactions energy: -41.306
where: short stacking energy: -33.161
Base-Backbone interact. energy: -0.159
local terms energy: -67.322062
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -17.208
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -10.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -391.764736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.764736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.764736 (E_RNA)
where:
Base-Base interactions energy: -277.687
where: short stacking energy: -114.729
Base-Backbone interact. energy: -0.256
local terms energy: -113.822181
where:
bonds (distance) C4'-P energy: -20.967
bonds (distance) P-C4' energy: -21.030
flat angles C4'-P-C4' energy: -22.978
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: -34.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -399.076825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.076825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.076825 (E_RNA)
where:
Base-Base interactions energy: -275.912
where: short stacking energy: -114.596
Base-Backbone interact. energy: -0.001
local terms energy: -123.163698
where:
bonds (distance) C4'-P energy: -22.371
bonds (distance) P-C4' energy: -21.878
flat angles C4'-P-C4' energy: -24.213
flat angles P-C4'-P energy: -19.406
tors. eta vs tors. theta energy: -35.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -383.893547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.893547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.893547 (E_RNA)
where:
Base-Base interactions energy: -266.529
where: short stacking energy: -101.958
Base-Backbone interact. energy: -0.019
local terms energy: -117.345931
where:
bonds (distance) C4'-P energy: -21.497
bonds (distance) P-C4' energy: -25.396
flat angles C4'-P-C4' energy: -24.465
flat angles P-C4'-P energy: -16.323
tors. eta vs tors. theta energy: -29.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -374.125261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.125261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.125261 (E_RNA)
where:
Base-Base interactions energy: -262.015
where: short stacking energy: -105.212
Base-Backbone interact. energy: -0.001
local terms energy: -112.108681
where:
bonds (distance) C4'-P energy: -17.396
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -22.998
flat angles P-C4'-P energy: -16.906
tors. eta vs tors. theta energy: -34.282
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: 7
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -351.190735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.190735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.190735 (E_RNA)
where:
Base-Base interactions energy: -244.327
where: short stacking energy: -97.460
Base-Backbone interact. energy: -0.178
local terms energy: -106.685734
where:
bonds (distance) C4'-P energy: -23.939
bonds (distance) P-C4' energy: -18.494
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -14.312
tors. eta vs tors. theta energy: -34.891
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: 10
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -343.593025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.593025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.593025 (E_RNA)
where:
Base-Base interactions energy: -232.470
where: short stacking energy: -104.044
Base-Backbone interact. energy: -0.099
local terms energy: -111.023824
where:
bonds (distance) C4'-P energy: -18.553
bonds (distance) P-C4' energy: -22.603
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -20.295
tors. eta vs tors. theta energy: -31.554
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: 8
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -287.530947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.530947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.530947 (E_RNA)
where:
Base-Base interactions energy: -194.468
where: short stacking energy: -74.018
Base-Backbone interact. energy: -1.438
local terms energy: -91.625333
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -20.410
flat angles C4'-P-C4' energy: -19.652
flat angles P-C4'-P energy: -15.436
tors. eta vs tors. theta energy: -19.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -117.415724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.415724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.415724 (E_RNA)
where:
Base-Base interactions energy: -45.224
where: short stacking energy: -43.111
Base-Backbone interact. energy: -0.276
local terms energy: -71.915620
where:
bonds (distance) C4'-P energy: -19.306
bonds (distance) P-C4' energy: -23.038
flat angles C4'-P-C4' energy: -20.107
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -2.317
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: 9, replica: 3
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -114.014072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.014072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.014072 (E_RNA)
where:
Base-Base interactions energy: -49.669
where: short stacking energy: -40.089
Base-Backbone interact. energy: -1.439
local terms energy: -62.906571
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -5.761
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: 1
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -116.292971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.292971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.292971 (E_RNA)
where:
Base-Base interactions energy: -43.595
where: short stacking energy: -39.700
Base-Backbone interact. energy: -0.099
local terms energy: -72.598731
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -26.122
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -8.433
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: 9
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -390.401587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.401587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.401587 (E_RNA)
where:
Base-Base interactions energy: -265.182
where: short stacking energy: -105.345
Base-Backbone interact. energy: -0.002
local terms energy: -125.217972
where:
bonds (distance) C4'-P energy: -25.840
bonds (distance) P-C4' energy: -21.741
flat angles C4'-P-C4' energy: -24.104
flat angles P-C4'-P energy: -17.844
tors. eta vs tors. theta energy: -35.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -380.338511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.338511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.338511 (E_RNA)
where:
Base-Base interactions energy: -268.283
where: short stacking energy: -108.040
Base-Backbone interact. energy: -0.873
local terms energy: -111.182123
where:
bonds (distance) C4'-P energy: -22.147
bonds (distance) P-C4' energy: -21.186
flat angles C4'-P-C4' energy: -20.655
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -35.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -376.893888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.893888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.893888 (E_RNA)
where:
Base-Base interactions energy: -261.828
where: short stacking energy: -106.908
Base-Backbone interact. energy: 0.677
local terms energy: -115.742560
where:
bonds (distance) C4'-P energy: -20.677
bonds (distance) P-C4' energy: -19.210
flat angles C4'-P-C4' energy: -23.030
flat angles P-C4'-P energy: -19.326
tors. eta vs tors. theta energy: -33.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -375.238451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.238451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.238451 (E_RNA)
where:
Base-Base interactions energy: -267.001
where: short stacking energy: -114.216
Base-Backbone interact. energy: -0.149
local terms energy: -108.088593
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -21.572
flat angles C4'-P-C4' energy: -18.728
flat angles P-C4'-P energy: -15.018
tors. eta vs tors. theta energy: -35.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -366.720823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.720823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.720823 (E_RNA)
where:
Base-Base interactions energy: -261.904
where: short stacking energy: -100.684
Base-Backbone interact. energy: -0.029
local terms energy: -104.787177
where:
bonds (distance) C4'-P energy: -19.061
bonds (distance) P-C4' energy: -21.568
flat angles C4'-P-C4' energy: -21.055
flat angles P-C4'-P energy: -16.320
tors. eta vs tors. theta energy: -26.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -342.449718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.449718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.449718 (E_RNA)
where:
Base-Base interactions energy: -230.086
where: short stacking energy: -100.830
Base-Backbone interact. energy: -0.357
local terms energy: -112.006863
where:
bonds (distance) C4'-P energy: -18.301
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -22.674
flat angles P-C4'-P energy: -18.098
tors. eta vs tors. theta energy: -28.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -294.024017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.024017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.024017 (E_RNA)
where:
Base-Base interactions energy: -203.219
where: short stacking energy: -88.774
Base-Backbone interact. energy: -0.340
local terms energy: -90.464573
where:
bonds (distance) C4'-P energy: -20.510
bonds (distance) P-C4' energy: -17.164
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -23.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -122.547672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.547672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.547672 (E_RNA)
where:
Base-Base interactions energy: -56.999
where: short stacking energy: -56.688
Base-Backbone interact. energy: -0.319
local terms energy: -65.229512
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -21.575
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -6.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -104.293978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.293978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.293978 (E_RNA)
where:
Base-Base interactions energy: -40.063
where: short stacking energy: -36.038
Base-Backbone interact. energy: -0.650
local terms energy: -63.580770
where:
bonds (distance) C4'-P energy: -18.584
bonds (distance) P-C4' energy: -21.462
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -1.465
tors. eta vs tors. theta energy: -4.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -107.936000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.936000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.936000 (E_RNA)
where:
Base-Base interactions energy: -28.744
where: short stacking energy: -28.527
Base-Backbone interact. energy: -0.070
local terms energy: -79.122547
where:
bonds (distance) C4'-P energy: -21.969
bonds (distance) P-C4' energy: -23.323
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -5.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -389.855160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.855160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.855160 (E_RNA)
where:
Base-Base interactions energy: -277.957
where: short stacking energy: -116.364
Base-Backbone interact. energy: -0.112
local terms energy: -111.786065
where:
bonds (distance) C4'-P energy: -22.096
bonds (distance) P-C4' energy: -18.381
flat angles C4'-P-C4' energy: -20.241
flat angles P-C4'-P energy: -15.419
tors. eta vs tors. theta energy: -35.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -388.353047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.353047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.353047 (E_RNA)
where:
Base-Base interactions energy: -272.689
where: short stacking energy: -109.314
Base-Backbone interact. energy: -0.096
local terms energy: -115.568665
where:
bonds (distance) C4'-P energy: -22.936
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -26.378
flat angles P-C4'-P energy: -15.061
tors. eta vs tors. theta energy: -33.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -378.782722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.782722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.782722 (E_RNA)
where:
Base-Base interactions energy: -269.101
where: short stacking energy: -108.857
Base-Backbone interact. energy: -0.639
local terms energy: -109.042123
where:
bonds (distance) C4'-P energy: -20.063
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -21.233
flat angles P-C4'-P energy: -14.807
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: 4, replica: 7
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -360.076935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.076935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.076935 (E_RNA)
where:
Base-Base interactions energy: -257.490
where: short stacking energy: -106.323
Base-Backbone interact. energy: -0.189
local terms energy: -102.397897
where:
bonds (distance) C4'-P energy: -21.195
bonds (distance) P-C4' energy: -21.350
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -15.000
tors. eta vs tors. theta energy: -27.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -375.917948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.917948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.917948 (E_RNA)
where:
Base-Base interactions energy: -269.035
where: short stacking energy: -111.397
Base-Backbone interact. energy: -0.402
local terms energy: -106.480388
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -24.271
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -35.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -296.072640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.072640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.072640 (E_RNA)
where:
Base-Base interactions energy: -221.877
where: short stacking energy: -80.942
Base-Backbone interact. energy: -1.112
local terms energy: -73.083862
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -14.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -338.546249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.546249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.546249 (E_RNA)
where:
Base-Base interactions energy: -239.207
where: short stacking energy: -97.777
Base-Backbone interact. energy: -2.270
local terms energy: -97.068792
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -23.331
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -31.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -123.169627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.169627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.169627 (E_RNA)
where:
Base-Base interactions energy: -50.801
where: short stacking energy: -41.091
Base-Backbone interact. energy: -0.494
local terms energy: -71.874363
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -25.019
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -14.140
tors. eta vs tors. theta energy: -1.989
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: 4
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -119.113773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.113773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.113773 (E_RNA)
where:
Base-Base interactions energy: -44.346
where: short stacking energy: -39.490
Base-Backbone interact. energy: -1.097
local terms energy: -73.671210
where:
bonds (distance) C4'-P energy: -22.180
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -8.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -97.314484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.314484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.314484 (E_RNA)
where:
Base-Base interactions energy: -35.398
where: short stacking energy: -21.335
Base-Backbone interact. energy: -0.177
local terms energy: -61.739521
where:
bonds (distance) C4'-P energy: -20.841
bonds (distance) P-C4' energy: -19.910
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -14.765
tors. eta vs tors. theta energy: 7.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -391.338102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.338102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.338102 (E_RNA)
where:
Base-Base interactions energy: -270.886
where: short stacking energy: -108.737
Base-Backbone interact. energy: -0.146
local terms energy: -120.306062
where:
bonds (distance) C4'-P energy: -23.260
bonds (distance) P-C4' energy: -22.573
flat angles C4'-P-C4' energy: -25.620
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -35.628
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: 9
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -388.653400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.653400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.653400 (E_RNA)
where:
Base-Base interactions energy: -280.602
where: short stacking energy: -116.099
Base-Backbone interact. energy: -0.159
local terms energy: -107.891645
where:
bonds (distance) C4'-P energy: -19.125
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -21.988
flat angles P-C4'-P energy: -13.314
tors. eta vs tors. theta energy: -33.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -376.805585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.805585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.805585 (E_RNA)
where:
Base-Base interactions energy: -265.041
where: short stacking energy: -108.083
Base-Backbone interact. energy: -0.002
local terms energy: -111.762545
where:
bonds (distance) C4'-P energy: -19.813
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -22.769
flat angles P-C4'-P energy: -15.082
tors. eta vs tors. theta energy: -35.075
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: 7
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -383.698966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.698966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.698966 (E_RNA)
where:
Base-Base interactions energy: -270.863
where: short stacking energy: -106.230
Base-Backbone interact. energy: 0.765
local terms energy: -113.600962
where:
bonds (distance) C4'-P energy: -22.055
bonds (distance) P-C4' energy: -19.391
flat angles C4'-P-C4' energy: -20.394
flat angles P-C4'-P energy: -18.345
tors. eta vs tors. theta energy: -33.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -376.058804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.058804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.058804 (E_RNA)
where:
Base-Base interactions energy: -266.602
where: short stacking energy: -106.869
Base-Backbone interact. energy: -0.099
local terms energy: -109.357835
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -23.258
flat angles C4'-P-C4' energy: -21.038
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -34.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -286.069974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.069974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.069974 (E_RNA)
where:
Base-Base interactions energy: -193.479
where: short stacking energy: -91.559
Base-Backbone interact. energy: -0.094
local terms energy: -92.497590
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -19.159
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -24.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -326.778953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.778953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.778953 (E_RNA)
where:
Base-Base interactions energy: -228.100
where: short stacking energy: -100.831
Base-Backbone interact. energy: -0.009
local terms energy: -98.669582
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -20.127
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -32.660
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: 472
Temperature: 1.250000
Total energy: -123.301791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.301791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.301791 (E_RNA)
where:
Base-Base interactions energy: -55.138
where: short stacking energy: -49.004
Base-Backbone interact. energy: -0.518
local terms energy: -67.645186
where:
bonds (distance) C4'-P energy: -9.548
bonds (distance) P-C4' energy: -20.903
flat angles C4'-P-C4' energy: -20.915
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -7.406
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: 9, replica: 1
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -113.094164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.094164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.094164 (E_RNA)
where:
Base-Base interactions energy: -41.608
where: short stacking energy: -31.612
Base-Backbone interact. energy: -1.223
local terms energy: -70.262574
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -20.166
flat angles C4'-P-C4' energy: -19.363
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -0.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -106.301374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.301374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.301374 (E_RNA)
where:
Base-Base interactions energy: -35.227
where: short stacking energy: -32.244
Base-Backbone interact. energy: -0.515
local terms energy: -70.558667
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -22.825
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -5.308
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: 473
Temperature: 0.900000
Total energy: -392.468269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.468269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.468269 (E_RNA)
where:
Base-Base interactions energy: -274.910
where: short stacking energy: -109.033
Base-Backbone interact. energy: -0.042
local terms energy: -117.515424
where:
bonds (distance) C4'-P energy: -22.640
bonds (distance) P-C4' energy: -21.140
flat angles C4'-P-C4' energy: -25.120
flat angles P-C4'-P energy: -15.764
tors. eta vs tors. theta energy: -32.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -383.531361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.531361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.531361 (E_RNA)
where:
Base-Base interactions energy: -271.861
where: short stacking energy: -111.590
Base-Backbone interact. energy: 0.661
local terms energy: -112.331468
where:
bonds (distance) C4'-P energy: -18.466
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -23.099
flat angles P-C4'-P energy: -15.759
tors. eta vs tors. theta energy: -34.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -386.523842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.523842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.523842 (E_RNA)
where:
Base-Base interactions energy: -273.313
where: short stacking energy: -116.778
Base-Backbone interact. energy: -0.097
local terms energy: -113.113488
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -24.345
flat angles C4'-P-C4' energy: -24.610
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -33.773
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: 7
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -377.437961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.437961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.437961 (E_RNA)
where:
Base-Base interactions energy: -266.813
where: short stacking energy: -106.047
Base-Backbone interact. energy: -0.153
local terms energy: -110.472484
where:
bonds (distance) C4'-P energy: -22.846
bonds (distance) P-C4' energy: -19.798
flat angles C4'-P-C4' energy: -19.393
flat angles P-C4'-P energy: -17.867
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: 5, replica: 2
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -375.431082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.431082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.431082 (E_RNA)
where:
Base-Base interactions energy: -271.356
where: short stacking energy: -102.716
Base-Backbone interact. energy: 0.746
local terms energy: -104.820884
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -17.451
flat angles C4'-P-C4' energy: -20.815
flat angles P-C4'-P energy: -15.455
tors. eta vs tors. theta energy: -32.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -332.152548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.152548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.152548 (E_RNA)
where:
Base-Base interactions energy: -230.874
where: short stacking energy: -99.989
Base-Backbone interact. energy: -0.280
local terms energy: -100.998169
where:
bonds (distance) C4'-P energy: -17.243
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -23.089
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -31.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -290.315621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.315621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.315621 (E_RNA)
where:
Base-Base interactions energy: -197.085
where: short stacking energy: -86.612
Base-Backbone interact. energy: 0.830
local terms energy: -94.060654
where:
bonds (distance) C4'-P energy: -21.907
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -19.600
flat angles P-C4'-P energy: -14.780
tors. eta vs tors. theta energy: -23.785
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: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -110.074470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.074470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.074470 (E_RNA)
where:
Base-Base interactions energy: -58.417
where: short stacking energy: -37.550
Base-Backbone interact. energy: -0.262
local terms energy: -51.396213
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -4.581
tors. eta vs tors. theta energy: -0.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -132.778350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.778350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.778350 (E_RNA)
where:
Base-Base interactions energy: -58.436
where: short stacking energy: -29.684
Base-Backbone interact. energy: -0.685
local terms energy: -73.657196
where:
bonds (distance) C4'-P energy: -19.482
bonds (distance) P-C4' energy: -20.056
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -2.704
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: 4
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -99.425340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.425340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.425340 (E_RNA)
where:
Base-Base interactions energy: -29.313
where: short stacking energy: -27.907
Base-Backbone interact. energy: -0.016
local terms energy: -70.097070
where:
bonds (distance) C4'-P energy: -18.159
bonds (distance) P-C4' energy: -23.043
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -3.386
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: 5
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -389.066684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.066684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.066684 (E_RNA)
where:
Base-Base interactions energy: -275.238
where: short stacking energy: -110.663
Base-Backbone interact. energy: -0.416
local terms energy: -113.412382
where:
bonds (distance) C4'-P energy: -19.466
bonds (distance) P-C4' energy: -19.797
flat angles C4'-P-C4' energy: -26.934
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -33.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -387.040421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.040421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.040421 (E_RNA)
where:
Base-Base interactions energy: -274.149
where: short stacking energy: -104.850
Base-Backbone interact. energy: -0.009
local terms energy: -112.883211
where:
bonds (distance) C4'-P energy: -18.768
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -22.513
flat angles P-C4'-P energy: -16.531
tors. eta vs tors. theta energy: -32.924
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: 9
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -381.661841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.661841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.661841 (E_RNA)
where:
Base-Base interactions energy: -267.748
where: short stacking energy: -106.440
Base-Backbone interact. energy: -0.089
local terms energy: -113.824911
where:
bonds (distance) C4'-P energy: -20.336
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -25.824
flat angles P-C4'-P energy: -18.467
tors. eta vs tors. theta energy: -31.744
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: 474
Temperature: 1.050000
Total energy: -379.536425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.536425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.536425 (E_RNA)
where:
Base-Base interactions energy: -272.206
where: short stacking energy: -108.953
Base-Backbone interact. energy: -0.022
local terms energy: -107.307939
where:
bonds (distance) C4'-P energy: -19.589
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -21.764
flat angles P-C4'-P energy: -16.047
tors. eta vs tors. theta energy: -32.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -355.706151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.706151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.706151 (E_RNA)
where:
Base-Base interactions energy: -251.636
where: short stacking energy: -97.206
Base-Backbone interact. energy: -0.073
local terms energy: -103.997176
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -20.511
flat angles C4'-P-C4' energy: -24.713
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -27.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -364.066066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.066066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.066066 (E_RNA)
where:
Base-Base interactions energy: -251.520
where: short stacking energy: -109.991
Base-Backbone interact. energy: -0.037
local terms energy: -112.508599
where:
bonds (distance) C4'-P energy: -22.970
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -21.572
flat angles P-C4'-P energy: -15.609
tors. eta vs tors. theta energy: -33.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -277.878090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.878090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.878090 (E_RNA)
where:
Base-Base interactions energy: -186.755
where: short stacking energy: -79.598
Base-Backbone interact. energy: -0.433
local terms energy: -90.690066
where:
bonds (distance) C4'-P energy: -19.629
bonds (distance) P-C4' energy: -22.463
flat angles C4'-P-C4' energy: -22.010
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -14.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -112.963971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.963971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.963971 (E_RNA)
where:
Base-Base interactions energy: -35.991
where: short stacking energy: -35.116
Base-Backbone interact. energy: -0.186
local terms energy: -76.787191
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -23.753
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -11.376
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: 9, replica: 4
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -110.703199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.703199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.703199 (E_RNA)
where:
Base-Base interactions energy: -38.440
where: short stacking energy: -35.857
Base-Backbone interact. energy: -0.592
local terms energy: -71.670929
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -22.570
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: -1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -116.243658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.243658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.243658 (E_RNA)
where:
Base-Base interactions energy: -49.605
where: short stacking energy: -38.656
Base-Backbone interact. energy: 0.403
local terms energy: -67.041500
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -20.264
flat angles C4'-P-C4' energy: -19.468
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -2.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -393.578041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.578041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.578041 (E_RNA)
where:
Base-Base interactions energy: -285.057
where: short stacking energy: -117.629
Base-Backbone interact. energy: -0.002
local terms energy: -108.518373
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -26.451
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -37.401
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: 6
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -381.094852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.094852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.094852 (E_RNA)
where:
Base-Base interactions energy: -272.725
where: short stacking energy: -114.081
Base-Backbone interact. energy: -0.006
local terms energy: -108.363153
where:
bonds (distance) C4'-P energy: -22.117
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -21.578
flat angles P-C4'-P energy: -18.115
tors. eta vs tors. theta energy: -33.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -382.381042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.381042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.381042 (E_RNA)
where:
Base-Base interactions energy: -271.435
where: short stacking energy: -110.029
Base-Backbone interact. energy: 0.541
local terms energy: -111.487172
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -24.601
flat angles P-C4'-P energy: -18.411
tors. eta vs tors. theta energy: -34.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -359.474491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.474491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.474491 (E_RNA)
where:
Base-Base interactions energy: -249.718
where: short stacking energy: -109.205
Base-Backbone interact. energy: -0.008
local terms energy: -109.748456
where:
bonds (distance) C4'-P energy: -23.377
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -23.005
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -31.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -365.568186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.568186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.568186 (E_RNA)
where:
Base-Base interactions energy: -255.082
where: short stacking energy: -100.337
Base-Backbone interact. energy: -0.002
local terms energy: -110.483778
where:
bonds (distance) C4'-P energy: -19.306
bonds (distance) P-C4' energy: -24.445
flat angles C4'-P-C4' energy: -20.664
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -34.210
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: 2
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -360.314520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.314520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.314520 (E_RNA)
where:
Base-Base interactions energy: -253.489
where: short stacking energy: -103.819
Base-Backbone interact. energy: -0.312
local terms energy: -106.513297
where:
bonds (distance) C4'-P energy: -20.223
bonds (distance) P-C4' energy: -17.300
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -17.956
tors. eta vs tors. theta energy: -33.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -290.621470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.621470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.621470 (E_RNA)
where:
Base-Base interactions energy: -197.182
where: short stacking energy: -83.918
Base-Backbone interact. energy: -1.173
local terms energy: -92.267182
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -21.114
flat angles C4'-P-C4' energy: -19.804
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -21.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -132.811556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.811556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.811556 (E_RNA)
where:
Base-Base interactions energy: -54.968
where: short stacking energy: -43.866
Base-Backbone interact. energy: -0.121
local terms energy: -77.722136
where:
bonds (distance) C4'-P energy: -22.834
bonds (distance) P-C4' energy: -18.528
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -16.283
tors. eta vs tors. theta energy: -5.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -106.916404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.916404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.916404 (E_RNA)
where:
Base-Base interactions energy: -42.767
where: short stacking energy: -22.971
Base-Backbone interact. energy: -0.411
local terms energy: -63.738235
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -21.011
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: 2.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -116.936650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.936650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.936650 (E_RNA)
where:
Base-Base interactions energy: -44.331
where: short stacking energy: -41.553
Base-Backbone interact. energy: -0.312
local terms energy: -72.293586
where:
bonds (distance) C4'-P energy: -21.712
bonds (distance) P-C4' energy: -23.279
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -3.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -390.881127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.881127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.881127 (E_RNA)
where:
Base-Base interactions energy: -275.634
where: short stacking energy: -112.395
Base-Backbone interact. energy: -0.242
local terms energy: -115.005386
where:
bonds (distance) C4'-P energy: -19.347
bonds (distance) P-C4' energy: -22.447
flat angles C4'-P-C4' energy: -21.624
flat angles P-C4'-P energy: -18.246
tors. eta vs tors. theta energy: -33.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -382.708051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.708051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.708051 (E_RNA)
where:
Base-Base interactions energy: -263.490
where: short stacking energy: -103.416
Base-Backbone interact. energy: -0.000
local terms energy: -119.217217
where:
bonds (distance) C4'-P energy: -23.003
bonds (distance) P-C4' energy: -21.501
flat angles C4'-P-C4' energy: -23.670
flat angles P-C4'-P energy: -19.144
tors. eta vs tors. theta energy: -31.899
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: 9
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -393.090906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.090906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.090906 (E_RNA)
where:
Base-Base interactions energy: -273.915
where: short stacking energy: -111.110
Base-Backbone interact. energy: -0.159
local terms energy: -119.017560
where:
bonds (distance) C4'-P energy: -24.593
bonds (distance) P-C4' energy: -25.181
flat angles C4'-P-C4' energy: -23.590
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -33.718
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: 10
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -359.561906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.561906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.561906 (E_RNA)
where:
Base-Base interactions energy: -252.816
where: short stacking energy: -111.730
Base-Backbone interact. energy: -0.007
local terms energy: -106.738912
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -24.189
flat angles P-C4'-P energy: -15.327
tors. eta vs tors. theta energy: -33.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -371.873803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.873803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.873803 (E_RNA)
where:
Base-Base interactions energy: -257.525
where: short stacking energy: -104.240
Base-Backbone interact. energy: -0.087
local terms energy: -114.262616
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -23.055
flat angles C4'-P-C4' energy: -23.771
flat angles P-C4'-P energy: -17.195
tors. eta vs tors. theta energy: -33.449
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: 2
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -362.886606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.886606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.886606 (E_RNA)
where:
Base-Base interactions energy: -261.350
where: short stacking energy: -101.873
Base-Backbone interact. energy: -0.003
local terms energy: -101.533552
where:
bonds (distance) C4'-P energy: -21.356
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -19.264
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -34.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -295.767945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.767945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.767945 (E_RNA)
where:
Base-Base interactions energy: -208.684
where: short stacking energy: -84.085
Base-Backbone interact. energy: -0.095
local terms energy: -86.988905
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -21.378
flat angles P-C4'-P energy: -11.805
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: 8, replica: 1
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -127.996008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.996008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.996008 (E_RNA)
where:
Base-Base interactions energy: -59.784
where: short stacking energy: -50.618
Base-Backbone interact. energy: 2.507
local terms energy: -70.719401
where:
bonds (distance) C4'-P energy: -23.226
bonds (distance) P-C4' energy: -19.578
flat angles C4'-P-C4' energy: -20.022
flat angles P-C4'-P energy: -2.712
tors. eta vs tors. theta energy: -5.182
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: 4
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -116.500087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.500087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.500087 (E_RNA)
where:
Base-Base interactions energy: -55.657
where: short stacking energy: -44.558
Base-Backbone interact. energy: -0.604
local terms energy: -60.239193
where:
bonds (distance) C4'-P energy: -22.677
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: 0.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -105.085117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.085117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.085117 (E_RNA)
where:
Base-Base interactions energy: -32.291
where: short stacking energy: -19.545
Base-Backbone interact. energy: -0.461
local terms energy: -72.332309
where:
bonds (distance) C4'-P energy: -18.845
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -13.734
tors. eta vs tors. theta energy: 0.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -399.552011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.552011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.552011 (E_RNA)
where:
Base-Base interactions energy: -287.234
where: short stacking energy: -115.091
Base-Backbone interact. energy: -0.050
local terms energy: -112.268847
where:
bonds (distance) C4'-P energy: -22.096
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -23.044
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -33.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -386.927889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.927889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.927889 (E_RNA)
where:
Base-Base interactions energy: -279.408
where: short stacking energy: -103.229
Base-Backbone interact. energy: -0.001
local terms energy: -107.518510
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -22.575
flat angles C4'-P-C4' energy: -22.557
flat angles P-C4'-P energy: -14.723
tors. eta vs tors. theta energy: -29.723
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: 3, replica: 9
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -386.954221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.954221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.954221 (E_RNA)
where:
Base-Base interactions energy: -270.138
where: short stacking energy: -109.050
Base-Backbone interact. energy: -0.003
local terms energy: -116.813314
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -23.141
flat angles P-C4'-P energy: -17.625
tors. eta vs tors. theta energy: -35.257
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: 7
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -370.282035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.282035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.282035 (E_RNA)
where:
Base-Base interactions energy: -262.738
where: short stacking energy: -103.901
Base-Backbone interact. energy: -0.209
local terms energy: -107.335166
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -18.372
flat angles C4'-P-C4' energy: -21.031
flat angles P-C4'-P energy: -17.332
tors. eta vs tors. theta energy: -36.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -361.757087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.757087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.757087 (E_RNA)
where:
Base-Base interactions energy: -253.346
where: short stacking energy: -110.523
Base-Backbone interact. energy: -0.592
local terms energy: -107.819315
where:
bonds (distance) C4'-P energy: -23.055
bonds (distance) P-C4' energy: -22.182
flat angles C4'-P-C4' energy: -23.045
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -30.270
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: 2
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -360.509232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.509232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.509232 (E_RNA)
where:
Base-Base interactions energy: -253.475
where: short stacking energy: -96.252
Base-Backbone interact. energy: -0.335
local terms energy: -106.699359
where:
bonds (distance) C4'-P energy: -22.742
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -19.843
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: -30.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -293.040944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.040944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.040944 (E_RNA)
where:
Base-Base interactions energy: -197.966
where: short stacking energy: -88.339
Base-Backbone interact. energy: 0.030
local terms energy: -95.105258
where:
bonds (distance) C4'-P energy: -17.890
bonds (distance) P-C4' energy: -19.639
flat angles C4'-P-C4' energy: -19.869
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -25.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -118.498855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.498855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.498855 (E_RNA)
where:
Base-Base interactions energy: -50.583
where: short stacking energy: -35.711
Base-Backbone interact. energy: -1.308
local terms energy: -66.607290
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -20.967
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -1.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -118.725832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.725832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.725832 (E_RNA)
where:
Base-Base interactions energy: -51.077
where: short stacking energy: -40.470
Base-Backbone interact. energy: -0.186
local terms energy: -67.462977
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -20.958
flat angles C4'-P-C4' energy: -20.333
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: -0.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -120.892673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.892673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.892673 (E_RNA)
where:
Base-Base interactions energy: -61.702
where: short stacking energy: -40.473
Base-Backbone interact. energy: -0.432
local terms energy: -58.758629
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -17.412
flat angles C4'-P-C4' energy: -9.648
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: 0.776
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: 1, replica: 5
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -389.994120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.994120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.994120 (E_RNA)
where:
Base-Base interactions energy: -279.586
where: short stacking energy: -112.341
Base-Backbone interact. energy: -0.143
local terms energy: -110.265973
where:
bonds (distance) C4'-P energy: -22.668
bonds (distance) P-C4' energy: -19.540
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -15.073
tors. eta vs tors. theta energy: -34.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -387.610042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.610042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.610042 (E_RNA)
where:
Base-Base interactions energy: -273.394
where: short stacking energy: -107.440
Base-Backbone interact. energy: -0.001
local terms energy: -114.214484
where:
bonds (distance) C4'-P energy: -19.401
bonds (distance) P-C4' energy: -21.178
flat angles C4'-P-C4' energy: -22.016
flat angles P-C4'-P energy: -15.545
tors. eta vs tors. theta energy: -36.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -380.364371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.364371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.364371 (E_RNA)
where:
Base-Base interactions energy: -268.919
where: short stacking energy: -106.497
Base-Backbone interact. energy: -0.183
local terms energy: -111.262442
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -24.663
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -35.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -373.393956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.393956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.393956 (E_RNA)
where:
Base-Base interactions energy: -260.525
where: short stacking energy: -104.431
Base-Backbone interact. energy: -0.004
local terms energy: -112.864948
where:
bonds (distance) C4'-P energy: -20.792
bonds (distance) P-C4' energy: -21.782
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -19.303
tors. eta vs tors. theta energy: -33.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -356.413186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.413186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.413186 (E_RNA)
where:
Base-Base interactions energy: -240.417
where: short stacking energy: -109.297
Base-Backbone interact. energy: -1.076
local terms energy: -114.919872
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -22.862
flat angles C4'-P-C4' energy: -24.701
flat angles P-C4'-P energy: -15.574
tors. eta vs tors. theta energy: -35.330
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: 2
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -364.363618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.363618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.363618 (E_RNA)
where:
Base-Base interactions energy: -256.955
where: short stacking energy: -100.892
Base-Backbone interact. energy: -0.286
local terms energy: -107.123171
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -20.149
flat angles C4'-P-C4' energy: -21.968
flat angles P-C4'-P energy: -15.425
tors. eta vs tors. theta energy: -32.453
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: 8
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -318.317673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.317673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.317673 (E_RNA)
where:
Base-Base interactions energy: -222.572
where: short stacking energy: -86.856
Base-Backbone interact. energy: -0.023
local terms energy: -95.723027
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -22.481
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -25.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -117.442067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.442067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.442067 (E_RNA)
where:
Base-Base interactions energy: -35.205
where: short stacking energy: -30.151
Base-Backbone interact. energy: -0.052
local terms energy: -82.184560
where:
bonds (distance) C4'-P energy: -19.649
bonds (distance) P-C4' energy: -19.740
flat angles C4'-P-C4' energy: -19.262
flat angles P-C4'-P energy: -16.399
tors. eta vs tors. theta energy: -7.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -110.214634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.214634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.214634 (E_RNA)
where:
Base-Base interactions energy: -43.633
where: short stacking energy: -38.201
Base-Backbone interact. energy: -0.382
local terms energy: -66.198821
where:
bonds (distance) C4'-P energy: -22.164
bonds (distance) P-C4' energy: -21.803
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: 1.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -110.956300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.956300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.956300 (E_RNA)
where:
Base-Base interactions energy: -47.664
where: short stacking energy: -25.268
Base-Backbone interact. energy: 0.067
local terms energy: -63.359502
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -20.203
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -1.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -395.392721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.392721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.392721 (E_RNA)
where:
Base-Base interactions energy: -276.014
where: short stacking energy: -114.024
Base-Backbone interact. energy: -0.350
local terms energy: -119.028968
where:
bonds (distance) C4'-P energy: -21.186
bonds (distance) P-C4' energy: -23.429
flat angles C4'-P-C4' energy: -22.920
flat angles P-C4'-P energy: -15.183
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: 2, replica: 6
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -386.514175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.514175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.514175 (E_RNA)
where:
Base-Base interactions energy: -269.111
where: short stacking energy: -113.115
Base-Backbone interact. energy: -0.001
local terms energy: -117.402431
where:
bonds (distance) C4'-P energy: -19.214
bonds (distance) P-C4' energy: -22.725
flat angles C4'-P-C4' energy: -25.371
flat angles P-C4'-P energy: -15.238
tors. eta vs tors. theta energy: -34.855
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: 9
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -387.102993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.102993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.102993 (E_RNA)
where:
Base-Base interactions energy: -269.513
where: short stacking energy: -111.255
Base-Backbone interact. energy: -0.294
local terms energy: -117.296007
where:
bonds (distance) C4'-P energy: -21.752
bonds (distance) P-C4' energy: -20.119
flat angles C4'-P-C4' energy: -19.563
flat angles P-C4'-P energy: -20.880
tors. eta vs tors. theta energy: -34.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -385.648138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.648138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.648138 (E_RNA)
where:
Base-Base interactions energy: -270.257
where: short stacking energy: -117.513
Base-Backbone interact. energy: -0.009
local terms energy: -115.382398
where:
bonds (distance) C4'-P energy: -20.137
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -25.599
flat angles P-C4'-P energy: -16.358
tors. eta vs tors. theta energy: -34.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -350.330397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.330397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.330397 (E_RNA)
where:
Base-Base interactions energy: -244.179
where: short stacking energy: -105.157
Base-Backbone interact. energy: -0.000
local terms energy: -106.151552
where:
bonds (distance) C4'-P energy: -19.492
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -23.335
flat angles P-C4'-P energy: -17.176
tors. eta vs tors. theta energy: -29.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -345.368971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.368971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.368971 (E_RNA)
where:
Base-Base interactions energy: -240.038
where: short stacking energy: -87.865
Base-Backbone interact. energy: -0.948
local terms energy: -104.382826
where:
bonds (distance) C4'-P energy: -20.391
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -24.913
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -30.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -339.013206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.013206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.013206 (E_RNA)
where:
Base-Base interactions energy: -237.576
where: short stacking energy: -98.007
Base-Backbone interact. energy: -0.099
local terms energy: -101.338411
where:
bonds (distance) C4'-P energy: -20.871
bonds (distance) P-C4' energy: -23.243
flat angles C4'-P-C4' energy: -19.835
flat angles P-C4'-P energy: -14.422
tors. eta vs tors. theta energy: -22.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -113.387394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.387394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.387394 (E_RNA)
where:
Base-Base interactions energy: -44.208
where: short stacking energy: -40.656
Base-Backbone interact. energy: -0.210
local terms energy: -68.969166
where:
bonds (distance) C4'-P energy: -20.527
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -121.597667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.597667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.597667 (E_RNA)
where:
Base-Base interactions energy: -50.988
where: short stacking energy: -50.988
Base-Backbone interact. energy: -0.145
local terms energy: -70.464535
where:
bonds (distance) C4'-P energy: -17.235
bonds (distance) P-C4' energy: -21.878
flat angles C4'-P-C4' energy: -21.493
flat angles P-C4'-P energy: -3.522
tors. eta vs tors. theta energy: -6.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -102.441054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.441054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.441054 (E_RNA)
where:
Base-Base interactions energy: -37.640
where: short stacking energy: -36.030
Base-Backbone interact. energy: -0.428
local terms energy: -64.373707
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -20.378
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -2.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -392.645417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.645417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.645417 (E_RNA)
where:
Base-Base interactions energy: -277.014
where: short stacking energy: -116.501
Base-Backbone interact. energy: -0.168
local terms energy: -115.463208
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -22.813
flat angles C4'-P-C4' energy: -25.942
flat angles P-C4'-P energy: -14.806
tors. eta vs tors. theta energy: -34.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -390.652333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.652333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.652333 (E_RNA)
where:
Base-Base interactions energy: -268.537
where: short stacking energy: -106.584
Base-Backbone interact. energy: -0.111
local terms energy: -122.004853
where:
bonds (distance) C4'-P energy: -23.006
bonds (distance) P-C4' energy: -25.356
flat angles C4'-P-C4' energy: -23.908
flat angles P-C4'-P energy: -13.352
tors. eta vs tors. theta energy: -36.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -376.623492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.623492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.623492 (E_RNA)
where:
Base-Base interactions energy: -264.650
where: short stacking energy: -111.320
Base-Backbone interact. energy: 0.194
local terms energy: -112.166796
where:
bonds (distance) C4'-P energy: -19.921
bonds (distance) P-C4' energy: -24.811
flat angles C4'-P-C4' energy: -22.749
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -31.725
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: 7
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -376.813732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.813732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.813732 (E_RNA)
where:
Base-Base interactions energy: -258.585
where: short stacking energy: -99.228
Base-Backbone interact. energy: -0.419
local terms energy: -117.810167
where:
bonds (distance) C4'-P energy: -21.611
bonds (distance) P-C4' energy: -23.663
flat angles C4'-P-C4' energy: -23.019
flat angles P-C4'-P energy: -17.499
tors. eta vs tors. theta energy: -32.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -368.110293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.110293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.110293 (E_RNA)
where:
Base-Base interactions energy: -269.157
where: short stacking energy: -104.350
Base-Backbone interact. energy: -0.038
local terms energy: -98.915486
where:
bonds (distance) C4'-P energy: -22.038
bonds (distance) P-C4' energy: -11.079
flat angles C4'-P-C4' energy: -20.038
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -33.543
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: 480
Temperature: 1.150000
Total energy: -343.145493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.145493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.145493 (E_RNA)
where:
Base-Base interactions energy: -240.689
where: short stacking energy: -100.664
Base-Backbone interact. energy: -0.484
local terms energy: -101.972902
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -22.599
flat angles C4'-P-C4' energy: -23.945
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -28.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -311.656126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.656126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.656126 (E_RNA)
where:
Base-Base interactions energy: -214.132
where: short stacking energy: -94.261
Base-Backbone interact. energy: -0.668
local terms energy: -96.855636
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -24.753
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -25.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -125.824972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.824972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.824972 (E_RNA)
where:
Base-Base interactions energy: -48.890
where: short stacking energy: -48.890
Base-Backbone interact. energy: -0.201
local terms energy: -76.734811
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -20.633
flat angles C4'-P-C4' energy: -25.692
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -4.498
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: 1
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -117.658686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.658686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.658686 (E_RNA)
where:
Base-Base interactions energy: -47.296
where: short stacking energy: -24.900
Base-Backbone interact. energy: -0.429
local terms energy: -69.933478
where:
bonds (distance) C4'-P energy: -20.501
bonds (distance) P-C4' energy: -19.884
flat angles C4'-P-C4' energy: -20.174
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -0.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -103.653176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.653176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.653176 (E_RNA)
where:
Base-Base interactions energy: -37.971
where: short stacking energy: -27.266
Base-Backbone interact. energy: -0.172
local terms energy: -65.509707
where:
bonds (distance) C4'-P energy: -20.601
bonds (distance) P-C4' energy: -20.428
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: 0.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -395.330454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.330454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.330454 (E_RNA)
where:
Base-Base interactions energy: -278.037
where: short stacking energy: -114.788
Base-Backbone interact. energy: -0.593
local terms energy: -116.700559
where:
bonds (distance) C4'-P energy: -22.373
bonds (distance) P-C4' energy: -16.506
flat angles C4'-P-C4' energy: -22.858
flat angles P-C4'-P energy: -18.210
tors. eta vs tors. theta energy: -36.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -389.011341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.011341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.011341 (E_RNA)
where:
Base-Base interactions energy: -276.447
where: short stacking energy: -107.136
Base-Backbone interact. energy: -0.005
local terms energy: -112.558980
where:
bonds (distance) C4'-P energy: -17.456
bonds (distance) P-C4' energy: -18.801
flat angles C4'-P-C4' energy: -23.635
flat angles P-C4'-P energy: -17.836
tors. eta vs tors. theta energy: -34.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -381.066221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.066221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.066221 (E_RNA)
where:
Base-Base interactions energy: -270.896
where: short stacking energy: -110.304
Base-Backbone interact. energy: -0.005
local terms energy: -110.165057
where:
bonds (distance) C4'-P energy: -19.930
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -24.173
flat angles P-C4'-P energy: -17.943
tors. eta vs tors. theta energy: -31.099
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: 8
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -379.744646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.744646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.744646 (E_RNA)
where:
Base-Base interactions energy: -267.509
where: short stacking energy: -115.945
Base-Backbone interact. energy: -0.103
local terms energy: -112.132926
where:
bonds (distance) C4'-P energy: -20.580
bonds (distance) P-C4' energy: -21.518
flat angles C4'-P-C4' energy: -23.186
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -33.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -376.008992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.008992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.008992 (E_RNA)
where:
Base-Base interactions energy: -265.309
where: short stacking energy: -104.586
Base-Backbone interact. energy: -0.099
local terms energy: -110.601442
where:
bonds (distance) C4'-P energy: -18.421
bonds (distance) P-C4' energy: -22.801
flat angles C4'-P-C4' energy: -22.020
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -34.902
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: 10
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -337.059009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.059009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.059009 (E_RNA)
where:
Base-Base interactions energy: -238.642
where: short stacking energy: -108.870
Base-Backbone interact. energy: -0.102
local terms energy: -98.315243
where:
bonds (distance) C4'-P energy: -17.716
bonds (distance) P-C4' energy: -20.523
flat angles C4'-P-C4' energy: -21.273
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -28.532
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: 2
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -287.665084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.665084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.665084 (E_RNA)
where:
Base-Base interactions energy: -182.911
where: short stacking energy: -89.848
Base-Backbone interact. energy: -0.033
local terms energy: -104.720653
where:
bonds (distance) C4'-P energy: -19.091
bonds (distance) P-C4' energy: -22.512
flat angles C4'-P-C4' energy: -23.127
flat angles P-C4'-P energy: -15.191
tors. eta vs tors. theta energy: -24.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -134.161399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.161399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.161399 (E_RNA)
where:
Base-Base interactions energy: -46.970
where: short stacking energy: -35.406
Base-Backbone interact. energy: -0.217
local terms energy: -86.974909
where:
bonds (distance) C4'-P energy: -19.078
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -20.511
flat angles P-C4'-P energy: -17.565
tors. eta vs tors. theta energy: -11.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -112.668172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.668172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.668172 (E_RNA)
where:
Base-Base interactions energy: -41.969
where: short stacking energy: -39.094
Base-Backbone interact. energy: -0.479
local terms energy: -70.220095
where:
bonds (distance) C4'-P energy: -19.642
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -18.772
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -6.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -106.198985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.198985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.198985 (E_RNA)
where:
Base-Base interactions energy: -42.903
where: short stacking energy: -30.909
Base-Backbone interact. energy: -0.255
local terms energy: -63.041647
where:
bonds (distance) C4'-P energy: -23.512
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -19.001
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -2.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -392.262136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.262136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.262136 (E_RNA)
where:
Base-Base interactions energy: -274.301
where: short stacking energy: -112.609
Base-Backbone interact. energy: -0.001
local terms energy: -117.960206
where:
bonds (distance) C4'-P energy: -19.907
bonds (distance) P-C4' energy: -23.977
flat angles C4'-P-C4' energy: -22.744
flat angles P-C4'-P energy: -19.683
tors. eta vs tors. theta energy: -31.649
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: 6
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -386.929950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.929950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.929950 (E_RNA)
where:
Base-Base interactions energy: -268.291
where: short stacking energy: -103.603
Base-Backbone interact. energy: -0.092
local terms energy: -118.546979
where:
bonds (distance) C4'-P energy: -22.582
bonds (distance) P-C4' energy: -22.579
flat angles C4'-P-C4' energy: -22.385
flat angles P-C4'-P energy: -17.917
tors. eta vs tors. theta energy: -33.085
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: 3, replica: 9
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -382.695125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.695125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.695125 (E_RNA)
where:
Base-Base interactions energy: -263.622
where: short stacking energy: -107.516
Base-Backbone interact. energy: -0.001
local terms energy: -119.072496
where:
bonds (distance) C4'-P energy: -19.908
bonds (distance) P-C4' energy: -23.056
flat angles C4'-P-C4' energy: -26.406
flat angles P-C4'-P energy: -15.073
tors. eta vs tors. theta energy: -34.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -378.992605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.992605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.992605 (E_RNA)
where:
Base-Base interactions energy: -265.129
where: short stacking energy: -103.625
Base-Backbone interact. energy: -0.636
local terms energy: -113.227531
where:
bonds (distance) C4'-P energy: -24.920
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -21.712
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -35.429
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: 7
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -372.433768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.433768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.433768 (E_RNA)
where:
Base-Base interactions energy: -268.188
where: short stacking energy: -109.717
Base-Backbone interact. energy: -0.044
local terms energy: -104.201329
where:
bonds (distance) C4'-P energy: -20.125
bonds (distance) P-C4' energy: -18.745
flat angles C4'-P-C4' energy: -21.359
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -33.327
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: 482
Temperature: 1.150000
Total energy: -352.729061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.729061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.729061 (E_RNA)
where:
Base-Base interactions energy: -242.517
where: short stacking energy: -111.980
Base-Backbone interact. energy: -0.575
local terms energy: -109.637384
where:
bonds (distance) C4'-P energy: -19.324
bonds (distance) P-C4' energy: -20.903
flat angles C4'-P-C4' energy: -23.538
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -31.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -282.137835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.137835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.137835 (E_RNA)
where:
Base-Base interactions energy: -185.495
where: short stacking energy: -77.642
Base-Backbone interact. energy: -0.056
local terms energy: -96.586137
where:
bonds (distance) C4'-P energy: -20.190
bonds (distance) P-C4' energy: -21.777
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -17.233
tors. eta vs tors. theta energy: -19.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -120.217358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.217358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.217358 (E_RNA)
where:
Base-Base interactions energy: -49.326
where: short stacking energy: -33.068
Base-Backbone interact. energy: -0.401
local terms energy: -70.489560
where:
bonds (distance) C4'-P energy: -16.808
bonds (distance) P-C4' energy: -20.968
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -2.031
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: 482
Temperature: 1.300000
Total energy: -108.436245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.436245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.436245 (E_RNA)
where:
Base-Base interactions energy: -36.979
where: short stacking energy: -36.979
Base-Backbone interact. energy: -0.190
local terms energy: -71.266759
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -24.153
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -4.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -107.863503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.863503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.863503 (E_RNA)
where:
Base-Base interactions energy: -40.665
where: short stacking energy: -40.839
Base-Backbone interact. energy: -0.161
local terms energy: -67.037494
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -20.929
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -2.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -399.665384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.665384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.665384 (E_RNA)
where:
Base-Base interactions energy: -275.905
where: short stacking energy: -112.249
Base-Backbone interact. energy: -0.239
local terms energy: -123.521421
where:
bonds (distance) C4'-P energy: -23.876
bonds (distance) P-C4' energy: -22.867
flat angles C4'-P-C4' energy: -24.437
flat angles P-C4'-P energy: -18.932
tors. eta vs tors. theta energy: -33.409
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: 9
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -392.973502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.973502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.973502 (E_RNA)
where:
Base-Base interactions energy: -274.346
where: short stacking energy: -108.790
Base-Backbone interact. energy: -0.328
local terms energy: -118.299128
where:
bonds (distance) C4'-P energy: -21.422
bonds (distance) P-C4' energy: -23.547
flat angles C4'-P-C4' energy: -23.668
flat angles P-C4'-P energy: -18.241
tors. eta vs tors. theta energy: -31.421
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: 483
Temperature: 1.000000
Total energy: -383.294292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.294292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.294292 (E_RNA)
where:
Base-Base interactions energy: -274.786
where: short stacking energy: -115.447
Base-Backbone interact. energy: -0.004
local terms energy: -108.504117
where:
bonds (distance) C4'-P energy: -19.091
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -22.567
flat angles P-C4'-P energy: -14.412
tors. eta vs tors. theta energy: -34.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -373.748919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.748919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.748919 (E_RNA)
where:
Base-Base interactions energy: -264.067
where: short stacking energy: -103.856
Base-Backbone interact. energy: -0.060
local terms energy: -109.622422
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -21.331
flat angles C4'-P-C4' energy: -24.342
flat angles P-C4'-P energy: -15.428
tors. eta vs tors. theta energy: -31.470
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: 5, replica: 7
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -374.098913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.098913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.098913 (E_RNA)
where:
Base-Base interactions energy: -269.683
where: short stacking energy: -105.567
Base-Backbone interact. energy: -0.218
local terms energy: -104.197908
where:
bonds (distance) C4'-P energy: -21.327
bonds (distance) P-C4' energy: -20.740
flat angles C4'-P-C4' energy: -18.864
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -34.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -322.557876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.557876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.557876 (E_RNA)
where:
Base-Base interactions energy: -222.112
where: short stacking energy: -97.039
Base-Backbone interact. energy: -0.016
local terms energy: -100.430157
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -24.026
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -15.122
tors. eta vs tors. theta energy: -30.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -292.754377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.754377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.754377 (E_RNA)
where:
Base-Base interactions energy: -202.790
where: short stacking energy: -85.719
Base-Backbone interact. energy: -0.040
local terms energy: -89.923896
where:
bonds (distance) C4'-P energy: -19.405
bonds (distance) P-C4' energy: -10.507
flat angles C4'-P-C4' energy: -22.419
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -24.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -108.201904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.201904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.201904 (E_RNA)
where:
Base-Base interactions energy: -58.579
where: short stacking energy: -44.969
Base-Backbone interact. energy: -0.003
local terms energy: -49.619212
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -15.217
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -0.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -121.725101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.725101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.725101 (E_RNA)
where:
Base-Base interactions energy: -47.813
where: short stacking energy: -38.364
Base-Backbone interact. energy: -0.217
local terms energy: -73.695586
where:
bonds (distance) C4'-P energy: -21.930
bonds (distance) P-C4' energy: -19.684
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -4.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -105.936746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.936746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.936746 (E_RNA)
where:
Base-Base interactions energy: -49.511
where: short stacking energy: -33.646
Base-Backbone interact. energy: -0.452
local terms energy: -55.973850
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -6.212
tors. eta vs tors. theta energy: -4.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -391.765393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.765393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.765393 (E_RNA)
where:
Base-Base interactions energy: -273.932
where: short stacking energy: -113.636
Base-Backbone interact. energy: -0.500
local terms energy: -117.333723
where:
bonds (distance) C4'-P energy: -18.759
bonds (distance) P-C4' energy: -27.098
flat angles C4'-P-C4' energy: -23.431
flat angles P-C4'-P energy: -17.469
tors. eta vs tors. theta energy: -30.577
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: 9
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -386.072978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.072978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.072978 (E_RNA)
where:
Base-Base interactions energy: -266.295
where: short stacking energy: -113.888
Base-Backbone interact. energy: -0.004
local terms energy: -119.774011
where:
bonds (distance) C4'-P energy: -20.901
bonds (distance) P-C4' energy: -23.708
flat angles C4'-P-C4' energy: -21.740
flat angles P-C4'-P energy: -19.530
tors. eta vs tors. theta energy: -33.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -378.265528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.265528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.265528 (E_RNA)
where:
Base-Base interactions energy: -258.261
where: short stacking energy: -106.218
Base-Backbone interact. energy: -0.072
local terms energy: -119.933245
where:
bonds (distance) C4'-P energy: -20.496
bonds (distance) P-C4' energy: -21.537
flat angles C4'-P-C4' energy: -24.933
flat angles P-C4'-P energy: -16.393
tors. eta vs tors. theta energy: -36.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -380.133283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.133283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.133283 (E_RNA)
where:
Base-Base interactions energy: -264.762
where: short stacking energy: -100.708
Base-Backbone interact. energy: -0.004
local terms energy: -115.367229
where:
bonds (distance) C4'-P energy: -23.815
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -24.114
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -33.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -373.483804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.483804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.483804 (E_RNA)
where:
Base-Base interactions energy: -258.243
where: short stacking energy: -104.860
Base-Backbone interact. energy: 1.147
local terms energy: -116.387381
where:
bonds (distance) C4'-P energy: -19.546
bonds (distance) P-C4' energy: -23.712
flat angles C4'-P-C4' energy: -24.454
flat angles P-C4'-P energy: -13.284
tors. eta vs tors. theta energy: -35.391
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: 10
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -349.463703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.463703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.463703 (E_RNA)
where:
Base-Base interactions energy: -246.717
where: short stacking energy: -106.380
Base-Backbone interact. energy: -0.234
local terms energy: -102.513234
where:
bonds (distance) C4'-P energy: -17.774
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -21.945
flat angles P-C4'-P energy: -18.130
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: 7, replica: 2
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -304.020727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.020727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.020727 (E_RNA)
where:
Base-Base interactions energy: -205.141
where: short stacking energy: -92.055
Base-Backbone interact. energy: -0.074
local terms energy: -98.805494
where:
bonds (distance) C4'-P energy: -17.605
bonds (distance) P-C4' energy: -18.771
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -15.890
tors. eta vs tors. theta energy: -27.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -122.305740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.305740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.305740 (E_RNA)
where:
Base-Base interactions energy: -42.574
where: short stacking energy: -42.574
Base-Backbone interact. energy: -0.413
local terms energy: -79.318830
where:
bonds (distance) C4'-P energy: -20.650
bonds (distance) P-C4' energy: -19.154
flat angles C4'-P-C4' energy: -18.919
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -7.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -120.064444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.064444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.064444 (E_RNA)
where:
Base-Base interactions energy: -42.619
where: short stacking energy: -42.619
Base-Backbone interact. energy: -0.752
local terms energy: -76.693749
where:
bonds (distance) C4'-P energy: -18.570
bonds (distance) P-C4' energy: -18.430
flat angles C4'-P-C4' energy: -20.939
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -10.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -105.875959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.875959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.875959 (E_RNA)
where:
Base-Base interactions energy: -39.738
where: short stacking energy: -37.062
Base-Backbone interact. energy: -1.366
local terms energy: -64.772867
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -15.344
tors. eta vs tors. theta energy: -0.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -390.004463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.004463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.004463 (E_RNA)
where:
Base-Base interactions energy: -271.401
where: short stacking energy: -114.458
Base-Backbone interact. energy: -0.008
local terms energy: -118.595046
where:
bonds (distance) C4'-P energy: -23.401
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -25.239
flat angles P-C4'-P energy: -19.355
tors. eta vs tors. theta energy: -33.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -382.315943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.315943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.315943 (E_RNA)
where:
Base-Base interactions energy: -260.294
where: short stacking energy: -107.146
Base-Backbone interact. energy: -0.217
local terms energy: -121.805044
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -22.098
flat angles C4'-P-C4' energy: -24.315
flat angles P-C4'-P energy: -17.620
tors. eta vs tors. theta energy: -36.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -380.993750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.993750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.993750 (E_RNA)
where:
Base-Base interactions energy: -266.153
where: short stacking energy: -111.921
Base-Backbone interact. energy: -0.074
local terms energy: -114.766797
where:
bonds (distance) C4'-P energy: -21.025
bonds (distance) P-C4' energy: -20.948
flat angles C4'-P-C4' energy: -22.867
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -37.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -365.873692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.873692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.873692 (E_RNA)
where:
Base-Base interactions energy: -256.003
where: short stacking energy: -104.682
Base-Backbone interact. energy: -0.076
local terms energy: -109.794349
where:
bonds (distance) C4'-P energy: -21.501
bonds (distance) P-C4' energy: -17.400
flat angles C4'-P-C4' energy: -25.636
flat angles P-C4'-P energy: -14.918
tors. eta vs tors. theta energy: -30.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -378.408792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.408792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.408792 (E_RNA)
where:
Base-Base interactions energy: -262.884
where: short stacking energy: -109.588
Base-Backbone interact. energy: -0.676
local terms energy: -114.848206
where:
bonds (distance) C4'-P energy: -19.840
bonds (distance) P-C4' energy: -24.393
flat angles C4'-P-C4' energy: -22.666
flat angles P-C4'-P energy: -16.171
tors. eta vs tors. theta energy: -31.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -303.185186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.185186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.185186 (E_RNA)
where:
Base-Base interactions energy: -207.795
where: short stacking energy: -86.333
Base-Backbone interact. energy: 1.130
local terms energy: -96.520172
where:
bonds (distance) C4'-P energy: -19.418
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -22.407
flat angles P-C4'-P energy: -15.998
tors. eta vs tors. theta energy: -23.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -336.536265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.536265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.536265 (E_RNA)
where:
Base-Base interactions energy: -237.439
where: short stacking energy: -95.988
Base-Backbone interact. energy: -0.253
local terms energy: -98.843885
where:
bonds (distance) C4'-P energy: -20.312
bonds (distance) P-C4' energy: -21.349
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -28.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -123.970491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.970491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.970491 (E_RNA)
where:
Base-Base interactions energy: -46.782
where: short stacking energy: -45.232
Base-Backbone interact. energy: -0.046
local terms energy: -77.142401
where:
bonds (distance) C4'-P energy: -18.213
bonds (distance) P-C4' energy: -21.584
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -12.715
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: 4
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -116.591271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.591271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.591271 (E_RNA)
where:
Base-Base interactions energy: -43.501
where: short stacking energy: -31.410
Base-Backbone interact. energy: -0.355
local terms energy: -72.735988
where:
bonds (distance) C4'-P energy: -21.080
bonds (distance) P-C4' energy: -23.486
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -2.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -115.488011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.488011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.488011 (E_RNA)
where:
Base-Base interactions energy: -49.425
where: short stacking energy: -33.544
Base-Backbone interact. energy: -0.311
local terms energy: -65.751934
where:
bonds (distance) C4'-P energy: -16.171
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -16.347
tors. eta vs tors. theta energy: -2.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -394.402247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.402247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.402247 (E_RNA)
where:
Base-Base interactions energy: -265.233
where: short stacking energy: -102.491
Base-Backbone interact. energy: -0.005
local terms energy: -129.164035
where:
bonds (distance) C4'-P energy: -25.686
bonds (distance) P-C4' energy: -23.519
flat angles C4'-P-C4' energy: -26.036
flat angles P-C4'-P energy: -19.729
tors. eta vs tors. theta energy: -34.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -384.559824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.559824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.559824 (E_RNA)
where:
Base-Base interactions energy: -279.296
where: short stacking energy: -113.915
Base-Backbone interact. energy: -0.096
local terms energy: -105.168000
where:
bonds (distance) C4'-P energy: -19.188
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -24.722
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -36.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -389.206482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.206482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.206482 (E_RNA)
where:
Base-Base interactions energy: -268.581
where: short stacking energy: -110.147
Base-Backbone interact. energy: -0.033
local terms energy: -120.592832
where:
bonds (distance) C4'-P energy: -23.628
bonds (distance) P-C4' energy: -22.064
flat angles C4'-P-C4' energy: -23.767
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: -35.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -357.983202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.983202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.983202 (E_RNA)
where:
Base-Base interactions energy: -249.654
where: short stacking energy: -101.262
Base-Backbone interact. energy: -0.032
local terms energy: -108.297133
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -21.480
flat angles C4'-P-C4' energy: -19.197
flat angles P-C4'-P energy: -16.584
tors. eta vs tors. theta energy: -34.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -359.640980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.640980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.640980 (E_RNA)
where:
Base-Base interactions energy: -256.974
where: short stacking energy: -102.757
Base-Backbone interact. energy: -0.071
local terms energy: -102.595586
where:
bonds (distance) C4'-P energy: -21.466
bonds (distance) P-C4' energy: -10.592
flat angles C4'-P-C4' energy: -21.507
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -32.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -323.906460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.906460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.906460 (E_RNA)
where:
Base-Base interactions energy: -226.104
where: short stacking energy: -96.108
Base-Backbone interact. energy: -0.133
local terms energy: -97.669713
where:
bonds (distance) C4'-P energy: -19.054
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -20.976
flat angles P-C4'-P energy: -16.537
tors. eta vs tors. theta energy: -28.790
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: 10
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -330.783486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.783486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.783486 (E_RNA)
where:
Base-Base interactions energy: -226.879
where: short stacking energy: -89.460
Base-Backbone interact. energy: 0.265
local terms energy: -104.168897
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -20.447
flat angles C4'-P-C4' energy: -21.244
flat angles P-C4'-P energy: -17.244
tors. eta vs tors. theta energy: -27.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -113.024020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.024020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.024020 (E_RNA)
where:
Base-Base interactions energy: -50.250
where: short stacking energy: -22.333
Base-Backbone interact. energy: 1.385
local terms energy: -64.159228
where:
bonds (distance) C4'-P energy: -20.552
bonds (distance) P-C4' energy: -20.751
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -15.449
tors. eta vs tors. theta energy: 5.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -105.887748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.887748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.887748 (E_RNA)
where:
Base-Base interactions energy: -44.690
where: short stacking energy: -22.777
Base-Backbone interact. energy: -2.166
local terms energy: -59.032340
where:
bonds (distance) C4'-P energy: -18.644
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: 0.246
tors. eta vs tors. theta energy: -1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -108.624246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.624246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.624246 (E_RNA)
where:
Base-Base interactions energy: -42.160
where: short stacking energy: -42.760
Base-Backbone interact. energy: 0.186
local terms energy: -66.651160
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -21.582
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -3.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -389.410886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.410886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.410886 (E_RNA)
where:
Base-Base interactions energy: -276.697
where: short stacking energy: -110.827
Base-Backbone interact. energy: -0.016
local terms energy: -112.698717
where:
bonds (distance) C4'-P energy: -18.176
bonds (distance) P-C4' energy: -22.728
flat angles C4'-P-C4' energy: -21.550
flat angles P-C4'-P energy: -16.315
tors. eta vs tors. theta energy: -33.930
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: 487
Temperature: 0.950000
Total energy: -382.924677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.924677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.924677 (E_RNA)
where:
Base-Base interactions energy: -268.625
where: short stacking energy: -109.934
Base-Backbone interact. energy: -0.117
local terms energy: -114.182404
where:
bonds (distance) C4'-P energy: -19.520
bonds (distance) P-C4' energy: -24.437
flat angles C4'-P-C4' energy: -21.879
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -34.561
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: 3, replica: 6
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -382.818034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.818034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.818034 (E_RNA)
where:
Base-Base interactions energy: -261.627
where: short stacking energy: -106.729
Base-Backbone interact. energy: -0.201
local terms energy: -120.989689
where:
bonds (distance) C4'-P energy: -22.818
bonds (distance) P-C4' energy: -21.773
flat angles C4'-P-C4' energy: -23.921
flat angles P-C4'-P energy: -18.170
tors. eta vs tors. theta energy: -34.308
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: 8
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -372.856432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.856432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.856432 (E_RNA)
where:
Base-Base interactions energy: -256.639
where: short stacking energy: -107.328
Base-Backbone interact. energy: -0.001
local terms energy: -116.216822
where:
bonds (distance) C4'-P energy: -18.539
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -23.505
flat angles P-C4'-P energy: -18.931
tors. eta vs tors. theta energy: -32.866
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: 487
Temperature: 1.100000
Total energy: -365.570237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.570237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.570237 (E_RNA)
where:
Base-Base interactions energy: -261.210
where: short stacking energy: -104.729
Base-Backbone interact. energy: -0.143
local terms energy: -104.217666
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -25.707
flat angles P-C4'-P energy: -13.887
tors. eta vs tors. theta energy: -30.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -345.959616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.959616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.959616 (E_RNA)
where:
Base-Base interactions energy: -236.819
where: short stacking energy: -108.410
Base-Backbone interact. energy: -0.003
local terms energy: -109.138078
where:
bonds (distance) C4'-P energy: -19.665
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -21.116
flat angles P-C4'-P energy: -17.351
tors. eta vs tors. theta energy: -30.854
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: 2
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -324.506811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.506811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.506811 (E_RNA)
where:
Base-Base interactions energy: -224.389
where: short stacking energy: -92.758
Base-Backbone interact. energy: -0.259
local terms energy: -99.858851
where:
bonds (distance) C4'-P energy: -21.364
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -20.705
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -26.969
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: 487
Temperature: 1.250000
Total energy: -129.269850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.269850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.269850 (E_RNA)
where:
Base-Base interactions energy: -52.118
where: short stacking energy: -38.468
Base-Backbone interact. energy: -0.433
local terms energy: -76.718859
where:
bonds (distance) C4'-P energy: -21.861
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -19.094
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -5.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -108.492938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.492938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.492938 (E_RNA)
where:
Base-Base interactions energy: -43.968
where: short stacking energy: -36.389
Base-Backbone interact. energy: -0.582
local terms energy: -63.943136
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -18.971
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -3.108
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: 4
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -108.623701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.623701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.623701 (E_RNA)
where:
Base-Base interactions energy: -39.193
where: short stacking energy: -37.013
Base-Backbone interact. energy: 1.452
local terms energy: -70.882872
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -20.441
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -4.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -386.494305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.494305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.494305 (E_RNA)
where:
Base-Base interactions energy: -270.116
where: short stacking energy: -112.396
Base-Backbone interact. energy: -0.131
local terms energy: -116.247824
where:
bonds (distance) C4'-P energy: -21.546
bonds (distance) P-C4' energy: -22.813
flat angles C4'-P-C4' energy: -24.223
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -34.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -377.677087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.677087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.677087 (E_RNA)
where:
Base-Base interactions energy: -265.483
where: short stacking energy: -106.871
Base-Backbone interact. energy: -0.013
local terms energy: -112.181250
where:
bonds (distance) C4'-P energy: -18.817
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -20.939
flat angles P-C4'-P energy: -16.697
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: 3, replica: 6
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -379.810188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.810188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.810188 (E_RNA)
where:
Base-Base interactions energy: -271.676
where: short stacking energy: -109.041
Base-Backbone interact. energy: -0.691
local terms energy: -107.443314
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -23.634
flat angles P-C4'-P energy: -16.391
tors. eta vs tors. theta energy: -35.057
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: 488
Temperature: 1.050000
Total energy: -378.209371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.209371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.209371 (E_RNA)
where:
Base-Base interactions energy: -268.756
where: short stacking energy: -104.540
Base-Backbone interact. energy: -0.057
local terms energy: -109.395901
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -22.860
flat angles C4'-P-C4' energy: -24.211
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -31.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -350.983056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.983056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.983056 (E_RNA)
where:
Base-Base interactions energy: -245.240
where: short stacking energy: -104.943
Base-Backbone interact. energy: -0.480
local terms energy: -105.262732
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -19.873
flat angles C4'-P-C4' energy: -24.473
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -34.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -367.087961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.087961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.087961 (E_RNA)
where:
Base-Base interactions energy: -258.821
where: short stacking energy: -103.672
Base-Backbone interact. energy: -0.008
local terms energy: -108.258586
where:
bonds (distance) C4'-P energy: -21.504
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -21.141
flat angles P-C4'-P energy: -15.774
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: 7, replica: 2
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -323.858870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.858870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.858870 (E_RNA)
where:
Base-Base interactions energy: -220.865
where: short stacking energy: -92.280
Base-Backbone interact. energy: -0.371
local terms energy: -102.622357
where:
bonds (distance) C4'-P energy: -19.451
bonds (distance) P-C4' energy: -24.849
flat angles C4'-P-C4' energy: -19.273
flat angles P-C4'-P energy: -15.457
tors. eta vs tors. theta energy: -23.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -139.773033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.773033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.773033 (E_RNA)
where:
Base-Base interactions energy: -74.152
where: short stacking energy: -39.507
Base-Backbone interact. energy: -0.372
local terms energy: -65.248909
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -20.747
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -0.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -115.762695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.762695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.762695 (E_RNA)
where:
Base-Base interactions energy: -58.863
where: short stacking energy: -31.944
Base-Backbone interact. energy: -1.017
local terms energy: -55.882786
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: 2.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -119.448744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.448744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.448744 (E_RNA)
where:
Base-Base interactions energy: -46.721
where: short stacking energy: -37.420
Base-Backbone interact. energy: -0.341
local terms energy: -72.386497
where:
bonds (distance) C4'-P energy: -18.334
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -25.069
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -3.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -389.914144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.914144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.914144 (E_RNA)
where:
Base-Base interactions energy: -269.963
where: short stacking energy: -109.264
Base-Backbone interact. energy: -0.068
local terms energy: -119.883253
where:
bonds (distance) C4'-P energy: -20.784
bonds (distance) P-C4' energy: -21.760
flat angles C4'-P-C4' energy: -25.217
flat angles P-C4'-P energy: -18.010
tors. eta vs tors. theta energy: -34.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -392.555737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.555737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.555737 (E_RNA)
where:
Base-Base interactions energy: -275.835
where: short stacking energy: -115.031
Base-Backbone interact. energy: -0.684
local terms energy: -116.036431
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -21.861
flat angles C4'-P-C4' energy: -26.269
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -36.085
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: 3, replica: 9
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -385.263700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.263700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.263700 (E_RNA)
where:
Base-Base interactions energy: -264.427
where: short stacking energy: -113.049
Base-Backbone interact. energy: 1.015
local terms energy: -121.851561
where:
bonds (distance) C4'-P energy: -21.797
bonds (distance) P-C4' energy: -24.887
flat angles C4'-P-C4' energy: -22.455
flat angles P-C4'-P energy: -16.712
tors. eta vs tors. theta energy: -36.000
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: 10
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -352.972953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.972953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.972953 (E_RNA)
where:
Base-Base interactions energy: -246.942
where: short stacking energy: -108.412
Base-Backbone interact. energy: -0.000
local terms energy: -106.030735
where:
bonds (distance) C4'-P energy: -20.273
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -22.165
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -32.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -380.949487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.949487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.949487 (E_RNA)
where:
Base-Base interactions energy: -268.998
where: short stacking energy: -107.042
Base-Backbone interact. energy: -0.003
local terms energy: -111.948288
where:
bonds (distance) C4'-P energy: -23.898
bonds (distance) P-C4' energy: -19.011
flat angles C4'-P-C4' energy: -24.751
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -34.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -369.445739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.445739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.445739 (E_RNA)
where:
Base-Base interactions energy: -265.487
where: short stacking energy: -101.798
Base-Backbone interact. energy: -0.080
local terms energy: -103.878742
where:
bonds (distance) C4'-P energy: -19.757
bonds (distance) P-C4' energy: -19.898
flat angles C4'-P-C4' energy: -22.797
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -32.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -354.982226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.982226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.982226 (E_RNA)
where:
Base-Base interactions energy: -250.751
where: short stacking energy: -105.833
Base-Backbone interact. energy: -0.045
local terms energy: -104.186867
where:
bonds (distance) C4'-P energy: -19.542
bonds (distance) P-C4' energy: -20.900
flat angles C4'-P-C4' energy: -18.869
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -31.582
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: 489
Temperature: 1.250000
Total energy: -142.340777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.340777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.340777 (E_RNA)
where:
Base-Base interactions energy: -73.896
where: short stacking energy: -41.963
Base-Backbone interact. energy: -0.178
local terms energy: -68.265871
where:
bonds (distance) C4'-P energy: -21.769
bonds (distance) P-C4' energy: -19.556
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -1.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -105.212231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.212231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.212231 (E_RNA)
where:
Base-Base interactions energy: -28.546
where: short stacking energy: -28.418
Base-Backbone interact. energy: -0.340
local terms energy: -76.326866
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -25.516
flat angles C4'-P-C4' energy: -19.732
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: 0.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -97.600078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.600078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.600078 (E_RNA)
where:
Base-Base interactions energy: -33.299
where: short stacking energy: -24.710
Base-Backbone interact. energy: -0.179
local terms energy: -64.122150
where:
bonds (distance) C4'-P energy: -20.448
bonds (distance) P-C4' energy: -19.358
flat angles C4'-P-C4' energy: -18.768
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: 3.274
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: 6
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -393.832707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.832707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.832707 (E_RNA)
where:
Base-Base interactions energy: -280.827
where: short stacking energy: -110.449
Base-Backbone interact. energy: -0.730
local terms energy: -112.275826
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -21.432
flat angles C4'-P-C4' energy: -22.178
flat angles P-C4'-P energy: -16.875
tors. eta vs tors. theta energy: -36.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -388.379378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.379378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.379378 (E_RNA)
where:
Base-Base interactions energy: -274.607
where: short stacking energy: -105.949
Base-Backbone interact. energy: -0.522
local terms energy: -113.249920
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -21.872
flat angles C4'-P-C4' energy: -23.262
flat angles P-C4'-P energy: -18.129
tors. eta vs tors. theta energy: -33.328
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: 3, replica: 9
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -384.948610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.948610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.948610 (E_RNA)
where:
Base-Base interactions energy: -271.965
where: short stacking energy: -114.775
Base-Backbone interact. energy: -0.004
local terms energy: -112.979276
where:
bonds (distance) C4'-P energy: -21.149
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -23.468
flat angles P-C4'-P energy: -17.895
tors. eta vs tors. theta energy: -33.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -359.919500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.919500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.919500 (E_RNA)
where:
Base-Base interactions energy: -245.961
where: short stacking energy: -103.597
Base-Backbone interact. energy: -0.002
local terms energy: -113.956938
where:
bonds (distance) C4'-P energy: -21.666
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -23.497
flat angles P-C4'-P energy: -17.751
tors. eta vs tors. theta energy: -32.141
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: 8
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -371.391289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.391289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.391289 (E_RNA)
where:
Base-Base interactions energy: -261.739
where: short stacking energy: -110.401
Base-Backbone interact. energy: -0.130
local terms energy: -109.523051
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -21.968
flat angles P-C4'-P energy: -14.819
tors. eta vs tors. theta energy: -33.362
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: 6, replica: 7
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -355.546553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.546553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.546553 (E_RNA)
where:
Base-Base interactions energy: -245.140
where: short stacking energy: -106.085
Base-Backbone interact. energy: -0.001
local terms energy: -110.406313
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -20.096
flat angles C4'-P-C4' energy: -20.009
flat angles P-C4'-P energy: -18.734
tors. eta vs tors. theta energy: -32.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -347.203544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.203544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.203544 (E_RNA)
where:
Base-Base interactions energy: -245.842
where: short stacking energy: -93.746
Base-Backbone interact. energy: -0.322
local terms energy: -101.039365
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -16.132
tors. eta vs tors. theta energy: -31.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -122.304276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.304276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.304276 (E_RNA)
where:
Base-Base interactions energy: -47.102
where: short stacking energy: -31.718
Base-Backbone interact. energy: -0.295
local terms energy: -74.906734
where:
bonds (distance) C4'-P energy: -21.932
bonds (distance) P-C4' energy: -23.004
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -11.160
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: 9, replica: 3
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -110.044749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.044749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.044749 (E_RNA)
where:
Base-Base interactions energy: -45.487
where: short stacking energy: -30.512
Base-Backbone interact. energy: -0.215
local terms energy: -64.342931
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -19.827
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -0.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -98.413143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.413143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.413143 (E_RNA)
where:
Base-Base interactions energy: -33.931
where: short stacking energy: -33.165
Base-Backbone interact. energy: -2.318
local terms energy: -62.164248
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -23.428
flat angles C4'-P-C4' energy: -18.871
flat angles P-C4'-P energy: -2.304
tors. eta vs tors. theta energy: -2.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -394.511785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.511785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.511785 (E_RNA)
where:
Base-Base interactions energy: -279.766
where: short stacking energy: -109.640
Base-Backbone interact. energy: -0.127
local terms energy: -114.618288
where:
bonds (distance) C4'-P energy: -19.115
bonds (distance) P-C4' energy: -23.164
flat angles C4'-P-C4' energy: -22.991
flat angles P-C4'-P energy: -16.470
tors. eta vs tors. theta energy: -32.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -385.684316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.684316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.684316 (E_RNA)
where:
Base-Base interactions energy: -268.515
where: short stacking energy: -106.418
Base-Backbone interact. energy: -0.003
local terms energy: -117.165626
where:
bonds (distance) C4'-P energy: -21.161
bonds (distance) P-C4' energy: -24.563
flat angles C4'-P-C4' energy: -22.895
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -35.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -385.571121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.571121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.571121 (E_RNA)
where:
Base-Base interactions energy: -276.802
where: short stacking energy: -111.985
Base-Backbone interact. energy: -0.009
local terms energy: -108.759632
where:
bonds (distance) C4'-P energy: -18.346
bonds (distance) P-C4' energy: -22.546
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -14.406
tors. eta vs tors. theta energy: -32.611
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: 8
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -381.492454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.492454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.492454 (E_RNA)
where:
Base-Base interactions energy: -266.255
where: short stacking energy: -108.880
Base-Backbone interact. energy: -0.004
local terms energy: -115.233594
where:
bonds (distance) C4'-P energy: -19.300
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -22.530
flat angles P-C4'-P energy: -17.381
tors. eta vs tors. theta energy: -33.445
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: 10
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -346.166780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.166780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.166780 (E_RNA)
where:
Base-Base interactions energy: -235.738
where: short stacking energy: -100.444
Base-Backbone interact. energy: -0.487
local terms energy: -109.941934
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -22.772
flat angles C4'-P-C4' energy: -23.209
flat angles P-C4'-P energy: -16.643
tors. eta vs tors. theta energy: -29.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -338.369919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.369919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.369919 (E_RNA)
where:
Base-Base interactions energy: -245.118
where: short stacking energy: -106.599
Base-Backbone interact. energy: 1.828
local terms energy: -95.079466
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -13.814
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: 7, replica: 7
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -349.718929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.718929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.718929 (E_RNA)
where:
Base-Base interactions energy: -244.632
where: short stacking energy: -100.913
Base-Backbone interact. energy: -0.023
local terms energy: -105.064107
where:
bonds (distance) C4'-P energy: -21.419
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -21.334
flat angles P-C4'-P energy: -15.698
tors. eta vs tors. theta energy: -30.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -116.064580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.064580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.064580 (E_RNA)
where:
Base-Base interactions energy: -44.095
where: short stacking energy: -35.556
Base-Backbone interact. energy: 0.940
local terms energy: -72.910185
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -20.788
flat angles C4'-P-C4' energy: -19.359
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -3.437
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: 1
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -116.782706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.782706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.782706 (E_RNA)
where:
Base-Base interactions energy: -54.455
where: short stacking energy: -40.318
Base-Backbone interact. energy: -0.832
local terms energy: -61.495445
where:
bonds (distance) C4'-P energy: -23.086
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -0.033
tors. eta vs tors. theta energy: -4.783
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: 4
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -106.475852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.475852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.475852 (E_RNA)
where:
Base-Base interactions energy: -45.894
where: short stacking energy: -35.584
Base-Backbone interact. energy: -0.072
local terms energy: -60.509856
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -14.517
tors. eta vs tors. theta energy: -3.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -388.697087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.697087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.697087 (E_RNA)
where:
Base-Base interactions energy: -275.707
where: short stacking energy: -111.844
Base-Backbone interact. energy: -0.033
local terms energy: -112.957754
where:
bonds (distance) C4'-P energy: -23.334
bonds (distance) P-C4' energy: -23.981
flat angles C4'-P-C4' energy: -19.540
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -32.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -392.870540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.870540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.870540 (E_RNA)
where:
Base-Base interactions energy: -273.728
where: short stacking energy: -115.646
Base-Backbone interact. energy: -0.003
local terms energy: -119.138926
where:
bonds (distance) C4'-P energy: -20.237
bonds (distance) P-C4' energy: -24.172
flat angles C4'-P-C4' energy: -23.441
flat angles P-C4'-P energy: -13.983
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: 3, replica: 8
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -377.368166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.368166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.368166 (E_RNA)
where:
Base-Base interactions energy: -260.454
where: short stacking energy: -106.602
Base-Backbone interact. energy: -0.218
local terms energy: -116.696127
where:
bonds (distance) C4'-P energy: -19.167
bonds (distance) P-C4' energy: -23.375
flat angles C4'-P-C4' energy: -22.892
flat angles P-C4'-P energy: -16.078
tors. eta vs tors. theta energy: -35.185
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: 4, replica: 5
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -370.690684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.690684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.690684 (E_RNA)
where:
Base-Base interactions energy: -262.931
where: short stacking energy: -98.788
Base-Backbone interact. energy: -0.008
local terms energy: -107.751544
where:
bonds (distance) C4'-P energy: -19.637
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -22.196
flat angles P-C4'-P energy: -16.004
tors. eta vs tors. theta energy: -31.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -352.507450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.507450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.507450 (E_RNA)
where:
Base-Base interactions energy: -236.284
where: short stacking energy: -95.232
Base-Backbone interact. energy: -0.006
local terms energy: -116.217288
where:
bonds (distance) C4'-P energy: -21.935
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -21.912
flat angles P-C4'-P energy: -16.443
tors. eta vs tors. theta energy: -34.934
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: 10
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -346.949565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.949565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.949565 (E_RNA)
where:
Base-Base interactions energy: -234.616
where: short stacking energy: -86.655
Base-Backbone interact. energy: -0.340
local terms energy: -111.993165
where:
bonds (distance) C4'-P energy: -18.354
bonds (distance) P-C4' energy: -26.181
flat angles C4'-P-C4' energy: -20.928
flat angles P-C4'-P energy: -14.904
tors. eta vs tors. theta energy: -31.626
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: 7, replica: 7
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -343.510741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.510741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.510741 (E_RNA)
where:
Base-Base interactions energy: -245.094
where: short stacking energy: -100.279
Base-Backbone interact. energy: -0.006
local terms energy: -98.411541
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -23.239
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -29.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -131.323671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.323671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.323671 (E_RNA)
where:
Base-Base interactions energy: -61.689
where: short stacking energy: -30.507
Base-Backbone interact. energy: -0.151
local terms energy: -69.484022
where:
bonds (distance) C4'-P energy: -18.714
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -19.432
flat angles P-C4'-P energy: -15.678
tors. eta vs tors. theta energy: -2.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -111.426361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.426361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.426361 (E_RNA)
where:
Base-Base interactions energy: -38.937
where: short stacking energy: -29.416
Base-Backbone interact. energy: 0.519
local terms energy: -73.008605
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -24.586
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -1.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -98.094411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.094411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.094411 (E_RNA)
where:
Base-Base interactions energy: -36.861
where: short stacking energy: -29.312
Base-Backbone interact. energy: 1.068
local terms energy: -62.301020
where:
bonds (distance) C4'-P energy: -18.794
bonds (distance) P-C4' energy: -24.432
flat angles C4'-P-C4' energy: -9.946
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: 1.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -389.463891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.463891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.463891 (E_RNA)
where:
Base-Base interactions energy: -272.080
where: short stacking energy: -109.798
Base-Backbone interact. energy: -0.009
local terms energy: -117.375016
where:
bonds (distance) C4'-P energy: -19.252
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -24.029
flat angles P-C4'-P energy: -17.004
tors. eta vs tors. theta energy: -34.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -386.417548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.417548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.417548 (E_RNA)
where:
Base-Base interactions energy: -266.435
where: short stacking energy: -110.745
Base-Backbone interact. energy: -1.432
local terms energy: -118.550124
where:
bonds (distance) C4'-P energy: -24.344
bonds (distance) P-C4' energy: -22.295
flat angles C4'-P-C4' energy: -23.106
flat angles P-C4'-P energy: -14.702
tors. eta vs tors. theta energy: -34.103
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: 8
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -386.790095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.790095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.790095 (E_RNA)
where:
Base-Base interactions energy: -276.477
where: short stacking energy: -111.294
Base-Backbone interact. energy: -0.106
local terms energy: -110.206677
where:
bonds (distance) C4'-P energy: -23.223
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -19.258
flat angles P-C4'-P energy: -16.743
tors. eta vs tors. theta energy: -33.777
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: 5
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -384.144526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.144526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.144526 (E_RNA)
where:
Base-Base interactions energy: -278.372
where: short stacking energy: -118.211
Base-Backbone interact. energy: -0.101
local terms energy: -105.670889
where:
bonds (distance) C4'-P energy: -20.080
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -25.822
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -32.306
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: 5, replica: 2
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -345.718675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.718675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.718675 (E_RNA)
where:
Base-Base interactions energy: -247.165
where: short stacking energy: -90.587
Base-Backbone interact. energy: -0.304
local terms energy: -98.250283
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -18.364
tors. eta vs tors. theta energy: -29.378
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: 7
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -366.530469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.530469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.530469 (E_RNA)
where:
Base-Base interactions energy: -254.964
where: short stacking energy: -96.142
Base-Backbone interact. energy: -0.016
local terms energy: -111.550691
where:
bonds (distance) C4'-P energy: -22.727
bonds (distance) P-C4' energy: -20.987
flat angles C4'-P-C4' energy: -21.352
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -33.548
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: 7, replica: 10
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -320.677009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.677009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.677009 (E_RNA)
where:
Base-Base interactions energy: -222.198
where: short stacking energy: -95.079
Base-Backbone interact. energy: -0.203
local terms energy: -98.276100
where:
bonds (distance) C4'-P energy: -19.915
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -20.189
flat angles P-C4'-P energy: -15.453
tors. eta vs tors. theta energy: -26.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -125.532704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.532704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.532704 (E_RNA)
where:
Base-Base interactions energy: -60.957
where: short stacking energy: -46.164
Base-Backbone interact. energy: -0.032
local terms energy: -64.543920
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -1.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -115.079537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.079537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.079537 (E_RNA)
where:
Base-Base interactions energy: -43.101
where: short stacking energy: -30.651
Base-Backbone interact. energy: -0.195
local terms energy: -71.783770
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -22.138
flat angles C4'-P-C4' energy: -19.073
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -3.629
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: 4
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -103.243577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.243577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.243577 (E_RNA)
where:
Base-Base interactions energy: -37.264
where: short stacking energy: -37.264
Base-Backbone interact. energy: -0.085
local terms energy: -65.894588
where:
bonds (distance) C4'-P energy: -21.233
bonds (distance) P-C4' energy: -20.971
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -1.944
tors. eta vs tors. theta energy: -8.236
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: 1, replica: 6
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -395.356833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.356833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.356833 (E_RNA)
where:
Base-Base interactions energy: -275.937
where: short stacking energy: -113.504
Base-Backbone interact. energy: -0.001
local terms energy: -119.418399
where:
bonds (distance) C4'-P energy: -24.130
bonds (distance) P-C4' energy: -23.048
flat angles C4'-P-C4' energy: -21.272
flat angles P-C4'-P energy: -17.414
tors. eta vs tors. theta energy: -33.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -385.597900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.597900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.597900 (E_RNA)
where:
Base-Base interactions energy: -266.275
where: short stacking energy: -105.243
Base-Backbone interact. energy: -0.003
local terms energy: -119.319955
where:
bonds (distance) C4'-P energy: -18.187
bonds (distance) P-C4' energy: -25.716
flat angles C4'-P-C4' energy: -22.802
flat angles P-C4'-P energy: -18.438
tors. eta vs tors. theta energy: -34.177
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: 5
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -382.492416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.492416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.492416 (E_RNA)
where:
Base-Base interactions energy: -264.275
where: short stacking energy: -107.041
Base-Backbone interact. energy: -0.026
local terms energy: -118.190819
where:
bonds (distance) C4'-P energy: -22.581
bonds (distance) P-C4' energy: -22.094
flat angles C4'-P-C4' energy: -24.494
flat angles P-C4'-P energy: -14.907
tors. eta vs tors. theta energy: -34.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -377.122817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.122817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.122817 (E_RNA)
where:
Base-Base interactions energy: -264.750
where: short stacking energy: -108.011
Base-Backbone interact. energy: -0.125
local terms energy: -112.247975
where:
bonds (distance) C4'-P energy: -20.684
bonds (distance) P-C4' energy: -21.790
flat angles C4'-P-C4' energy: -22.439
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -34.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -372.037382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.037382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.037382 (E_RNA)
where:
Base-Base interactions energy: -269.053
where: short stacking energy: -109.111
Base-Backbone interact. energy: -0.013
local terms energy: -102.971353
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -20.013
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -32.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -357.690677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.690677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.690677 (E_RNA)
where:
Base-Base interactions energy: -258.662
where: short stacking energy: -101.080
Base-Backbone interact. energy: -0.252
local terms energy: -98.777377
where:
bonds (distance) C4'-P energy: -19.000
bonds (distance) P-C4' energy: -19.909
flat angles C4'-P-C4' energy: -19.666
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -27.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -333.626465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.626465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.626465 (E_RNA)
where:
Base-Base interactions energy: -227.729
where: short stacking energy: -105.221
Base-Backbone interact. energy: 1.654
local terms energy: -107.551271
where:
bonds (distance) C4'-P energy: -19.245
bonds (distance) P-C4' energy: -20.585
flat angles C4'-P-C4' energy: -24.539
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -29.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -131.374141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.374141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.374141 (E_RNA)
where:
Base-Base interactions energy: -63.229
where: short stacking energy: -38.901
Base-Backbone interact. energy: -0.104
local terms energy: -68.041671
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -21.136
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: 0.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -134.410862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.410862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.410862 (E_RNA)
where:
Base-Base interactions energy: -70.237
where: short stacking energy: -38.507
Base-Backbone interact. energy: 0.559
local terms energy: -64.733487
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -0.765
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: 494
Temperature: 1.350000
Total energy: -97.823329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.823329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.823329 (E_RNA)
where:
Base-Base interactions energy: -43.494
where: short stacking energy: -43.494
Base-Backbone interact. energy: -0.253
local terms energy: -54.076962
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -6.038
tors. eta vs tors. theta energy: -1.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -388.017489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.017489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.017489 (E_RNA)
where:
Base-Base interactions energy: -276.268
where: short stacking energy: -114.217
Base-Backbone interact. energy: -0.124
local terms energy: -111.625740
where:
bonds (distance) C4'-P energy: -18.030
bonds (distance) P-C4' energy: -20.925
flat angles C4'-P-C4' energy: -24.034
flat angles P-C4'-P energy: -17.128
tors. eta vs tors. theta energy: -31.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -383.491748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.491748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.491748 (E_RNA)
where:
Base-Base interactions energy: -280.441
where: short stacking energy: -109.656
Base-Backbone interact. energy: -0.023
local terms energy: -103.027401
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -19.965
flat angles C4'-P-C4' energy: -22.644
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -32.481
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: 3, replica: 9
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -384.792193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.792193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.792193 (E_RNA)
where:
Base-Base interactions energy: -273.438
where: short stacking energy: -106.363
Base-Backbone interact. energy: -0.001
local terms energy: -111.352683
where:
bonds (distance) C4'-P energy: -19.277
bonds (distance) P-C4' energy: -20.992
flat angles C4'-P-C4' energy: -24.163
flat angles P-C4'-P energy: -14.659
tors. eta vs tors. theta energy: -32.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -372.273697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.273697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.273697 (E_RNA)
where:
Base-Base interactions energy: -264.575
where: short stacking energy: -108.698
Base-Backbone interact. energy: -0.135
local terms energy: -107.563742
where:
bonds (distance) C4'-P energy: -23.591
bonds (distance) P-C4' energy: -11.209
flat angles C4'-P-C4' energy: -23.728
flat angles P-C4'-P energy: -14.349
tors. eta vs tors. theta energy: -34.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -368.647171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.647171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.647171 (E_RNA)
where:
Base-Base interactions energy: -268.571
where: short stacking energy: -108.872
Base-Backbone interact. energy: 0.648
local terms energy: -100.724246
where:
bonds (distance) C4'-P energy: -20.654
bonds (distance) P-C4' energy: -20.462
flat angles C4'-P-C4' energy: -20.487
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -31.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -362.801046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.801046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.801046 (E_RNA)
where:
Base-Base interactions energy: -252.849
where: short stacking energy: -109.552
Base-Backbone interact. energy: -0.071
local terms energy: -109.881327
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -24.640
flat angles C4'-P-C4' energy: -21.559
flat angles P-C4'-P energy: -16.614
tors. eta vs tors. theta energy: -30.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -345.019049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.019049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.019049 (E_RNA)
where:
Base-Base interactions energy: -235.921
where: short stacking energy: -101.332
Base-Backbone interact. energy: -0.873
local terms energy: -108.225283
where:
bonds (distance) C4'-P energy: -20.665
bonds (distance) P-C4' energy: -20.138
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -31.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -112.802874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.802874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.802874 (E_RNA)
where:
Base-Base interactions energy: -48.230
where: short stacking energy: -37.041
Base-Backbone interact. energy: -0.200
local terms energy: -64.373111
where:
bonds (distance) C4'-P energy: -19.222
bonds (distance) P-C4' energy: -12.921
flat angles C4'-P-C4' energy: -21.515
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -3.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -108.252032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.252032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.252032 (E_RNA)
where:
Base-Base interactions energy: -40.341
where: short stacking energy: -34.675
Base-Backbone interact. energy: -0.176
local terms energy: -67.735091
where:
bonds (distance) C4'-P energy: -19.347
bonds (distance) P-C4' energy: -24.843
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: 1.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -105.149981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.149981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.149981 (E_RNA)
where:
Base-Base interactions energy: -21.878
where: short stacking energy: -20.142
Base-Backbone interact. energy: -0.134
local terms energy: -83.137960
where:
bonds (distance) C4'-P energy: -22.696
bonds (distance) P-C4' energy: -25.762
flat angles C4'-P-C4' energy: -19.094
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -3.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -396.611639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.611639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.611639 (E_RNA)
where:
Base-Base interactions energy: -277.534
where: short stacking energy: -111.911
Base-Backbone interact. energy: -0.012
local terms energy: -119.066092
where:
bonds (distance) C4'-P energy: -22.092
bonds (distance) P-C4' energy: -22.839
flat angles C4'-P-C4' energy: -24.398
flat angles P-C4'-P energy: -16.458
tors. eta vs tors. theta energy: -33.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -386.926026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.926026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.926026 (E_RNA)
where:
Base-Base interactions energy: -271.217
where: short stacking energy: -111.769
Base-Backbone interact. energy: 0.417
local terms energy: -116.126820
where:
bonds (distance) C4'-P energy: -22.883
bonds (distance) P-C4' energy: -21.323
flat angles C4'-P-C4' energy: -23.857
flat angles P-C4'-P energy: -14.013
tors. eta vs tors. theta energy: -34.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -384.413528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.413528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.413528 (E_RNA)
where:
Base-Base interactions energy: -265.076
where: short stacking energy: -108.119
Base-Backbone interact. energy: -0.097
local terms energy: -119.241186
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -21.200
flat angles C4'-P-C4' energy: -26.254
flat angles P-C4'-P energy: -18.246
tors. eta vs tors. theta energy: -36.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -373.222372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.222372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.222372 (E_RNA)
where:
Base-Base interactions energy: -267.112
where: short stacking energy: -106.648
Base-Backbone interact. energy: -0.579
local terms energy: -105.532019
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -21.291
flat angles C4'-P-C4' energy: -22.646
flat angles P-C4'-P energy: -15.534
tors. eta vs tors. theta energy: -29.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -369.206792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.206792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.206792 (E_RNA)
where:
Base-Base interactions energy: -262.973
where: short stacking energy: -104.765
Base-Backbone interact. energy: -0.041
local terms energy: -106.193153
where:
bonds (distance) C4'-P energy: -17.605
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -20.936
flat angles P-C4'-P energy: -18.861
tors. eta vs tors. theta energy: -33.253
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: 8
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -375.090932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.090932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.090932 (E_RNA)
where:
Base-Base interactions energy: -259.956
where: short stacking energy: -104.578
Base-Backbone interact. energy: -1.026
local terms energy: -114.108197
where:
bonds (distance) C4'-P energy: -22.668
bonds (distance) P-C4' energy: -19.905
flat angles C4'-P-C4' energy: -22.633
flat angles P-C4'-P energy: -18.079
tors. eta vs tors. theta energy: -30.823
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: 10
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -340.935685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.935685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.935685 (E_RNA)
where:
Base-Base interactions energy: -237.392
where: short stacking energy: -96.161
Base-Backbone interact. energy: -0.077
local terms energy: -103.465738
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -23.796
flat angles P-C4'-P energy: -15.447
tors. eta vs tors. theta energy: -30.336
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: 4
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -126.730547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.730547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.730547 (E_RNA)
where:
Base-Base interactions energy: -53.121
where: short stacking energy: -50.125
Base-Backbone interact. energy: -0.052
local terms energy: -73.558212
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -22.501
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -1.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -119.490463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.490463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.490463 (E_RNA)
where:
Base-Base interactions energy: -45.668
where: short stacking energy: -40.559
Base-Backbone interact. energy: -0.105
local terms energy: -73.717368
where:
bonds (distance) C4'-P energy: -25.838
bonds (distance) P-C4' energy: -20.264
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -5.032
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: 10, replica: 3
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -103.066482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.066482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.066482 (E_RNA)
where:
Base-Base interactions energy: -41.597
where: short stacking energy: -35.476
Base-Backbone interact. energy: -0.092
local terms energy: -61.377645
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -1.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -392.308206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.308206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.308206 (E_RNA)
where:
Base-Base interactions energy: -283.696
where: short stacking energy: -113.038
Base-Backbone interact. energy: -0.213
local terms energy: -108.398909
where:
bonds (distance) C4'-P energy: -22.271
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -22.025
flat angles P-C4'-P energy: -16.345
tors. eta vs tors. theta energy: -34.233
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: 7
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -388.753748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.753748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.753748 (E_RNA)
where:
Base-Base interactions energy: -275.708
where: short stacking energy: -107.944
Base-Backbone interact. energy: -0.092
local terms energy: -112.953493
where:
bonds (distance) C4'-P energy: -21.170
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -22.979
flat angles P-C4'-P energy: -16.706
tors. eta vs tors. theta energy: -36.217
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: 6
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -382.897328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.897328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.897328 (E_RNA)
where:
Base-Base interactions energy: -274.625
where: short stacking energy: -110.797
Base-Backbone interact. energy: -0.123
local terms energy: -108.149347
where:
bonds (distance) C4'-P energy: -18.971
bonds (distance) P-C4' energy: -20.001
flat angles C4'-P-C4' energy: -24.054
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -32.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -374.094377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.094377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.094377 (E_RNA)
where:
Base-Base interactions energy: -263.425
where: short stacking energy: -105.914
Base-Backbone interact. energy: -0.007
local terms energy: -110.662681
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -22.108
flat angles P-C4'-P energy: -18.975
tors. eta vs tors. theta energy: -32.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -358.772588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.772588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.772588 (E_RNA)
where:
Base-Base interactions energy: -246.790
where: short stacking energy: -105.555
Base-Backbone interact. energy: -0.161
local terms energy: -111.821092
where:
bonds (distance) C4'-P energy: -22.114
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -23.301
flat angles P-C4'-P energy: -17.149
tors. eta vs tors. theta energy: -33.243
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: 8
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -366.095906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.095906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.095906 (E_RNA)
where:
Base-Base interactions energy: -248.082
where: short stacking energy: -100.103
Base-Backbone interact. energy: -0.004
local terms energy: -118.010069
where:
bonds (distance) C4'-P energy: -21.852
bonds (distance) P-C4' energy: -25.703
flat angles C4'-P-C4' energy: -21.996
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -34.892
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: 10
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -324.171996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.171996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.171996 (E_RNA)
where:
Base-Base interactions energy: -241.274
where: short stacking energy: -104.950
Base-Backbone interact. energy: 0.819
local terms energy: -83.717523
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -21.137
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -26.742
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: 497
Temperature: 1.250000
Total energy: -127.219151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.219151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.219151 (E_RNA)
where:
Base-Base interactions energy: -66.648
where: short stacking energy: -40.430
Base-Backbone interact. energy: -1.824
local terms energy: -58.746924
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -4.612
tors. eta vs tors. theta energy: -5.291
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: 9, replica: 1
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -102.541520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.541520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.541520 (E_RNA)
where:
Base-Base interactions energy: -44.521
where: short stacking energy: -30.671
Base-Backbone interact. energy: -0.456
local terms energy: -57.564486
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -4.899
tors. eta vs tors. theta energy: -2.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -101.408686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.408686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.408686 (E_RNA)
where:
Base-Base interactions energy: -38.121
where: short stacking energy: -38.121
Base-Backbone interact. energy: -0.364
local terms energy: -62.923847
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -7.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -396.318254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.318254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.318254 (E_RNA)
where:
Base-Base interactions energy: -273.710
where: short stacking energy: -111.554
Base-Backbone interact. energy: -0.111
local terms energy: -122.497121
where:
bonds (distance) C4'-P energy: -21.517
bonds (distance) P-C4' energy: -23.820
flat angles C4'-P-C4' energy: -27.108
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -36.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -396.544553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.544553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.544553 (E_RNA)
where:
Base-Base interactions energy: -279.245
where: short stacking energy: -111.933
Base-Backbone interact. energy: -0.005
local terms energy: -117.294960
where:
bonds (distance) C4'-P energy: -23.107
bonds (distance) P-C4' energy: -19.398
flat angles C4'-P-C4' energy: -26.005
flat angles P-C4'-P energy: -15.524
tors. eta vs tors. theta energy: -33.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -382.820952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.820952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.820952 (E_RNA)
where:
Base-Base interactions energy: -272.740
where: short stacking energy: -106.079
Base-Backbone interact. energy: -0.001
local terms energy: -110.080178
where:
bonds (distance) C4'-P energy: -25.349
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -22.234
flat angles P-C4'-P energy: -16.578
tors. eta vs tors. theta energy: -33.000
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: 498
Temperature: 1.050000
Total energy: -379.673070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.673070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.673070 (E_RNA)
where:
Base-Base interactions energy: -265.343
where: short stacking energy: -111.128
Base-Backbone interact. energy: -0.293
local terms energy: -114.036598
where:
bonds (distance) C4'-P energy: -22.175
bonds (distance) P-C4' energy: -23.035
flat angles C4'-P-C4' energy: -22.842
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -33.433
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: 8
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -369.545486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.545486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.545486 (E_RNA)
where:
Base-Base interactions energy: -260.672
where: short stacking energy: -99.993
Base-Backbone interact. energy: -0.129
local terms energy: -108.744405
where:
bonds (distance) C4'-P energy: -19.438
bonds (distance) P-C4' energy: -22.227
flat angles C4'-P-C4' energy: -22.477
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -32.051
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: 6, replica: 9
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -361.497037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.497037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.497037 (E_RNA)
where:
Base-Base interactions energy: -259.336
where: short stacking energy: -101.705
Base-Backbone interact. energy: -0.241
local terms energy: -101.919608
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -21.402
flat angles C4'-P-C4' energy: -23.937
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -28.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -346.304830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.304830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.304830 (E_RNA)
where:
Base-Base interactions energy: -247.240
where: short stacking energy: -105.165
Base-Backbone interact. energy: -1.038
local terms energy: -98.027128
where:
bonds (distance) C4'-P energy: -20.194
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -22.572
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -28.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -124.437202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.437202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.437202 (E_RNA)
where:
Base-Base interactions energy: -58.753
where: short stacking energy: -37.939
Base-Backbone interact. energy: -0.884
local terms energy: -64.799709
where:
bonds (distance) C4'-P energy: -19.641
bonds (distance) P-C4' energy: -22.606
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: 0.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -119.100815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.100815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.100815 (E_RNA)
where:
Base-Base interactions energy: -57.108
where: short stacking energy: -33.590
Base-Backbone interact. energy: -0.156
local terms energy: -61.836728
where:
bonds (distance) C4'-P energy: -21.024
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -4.484
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: 1
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -95.329829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.329829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.329829 (E_RNA)
where:
Base-Base interactions energy: -35.758
where: short stacking energy: -17.259
Base-Backbone interact. energy: 1.805
local terms energy: -61.377142
where:
bonds (distance) C4'-P energy: -21.053
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: 2.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -397.814593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.814593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.814593 (E_RNA)
where:
Base-Base interactions energy: -273.454
where: short stacking energy: -113.466
Base-Backbone interact. energy: -0.001
local terms energy: -124.359716
where:
bonds (distance) C4'-P energy: -19.274
bonds (distance) P-C4' energy: -26.113
flat angles C4'-P-C4' energy: -26.851
flat angles P-C4'-P energy: -15.503
tors. eta vs tors. theta energy: -36.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -384.827523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.827523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.827523 (E_RNA)
where:
Base-Base interactions energy: -268.484
where: short stacking energy: -107.142
Base-Backbone interact. energy: -0.599
local terms energy: -115.743949
where:
bonds (distance) C4'-P energy: -17.983
bonds (distance) P-C4' energy: -23.059
flat angles C4'-P-C4' energy: -25.618
flat angles P-C4'-P energy: -15.684
tors. eta vs tors. theta energy: -33.401
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: 5
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -384.880211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.880211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.880211 (E_RNA)
where:
Base-Base interactions energy: -271.521
where: short stacking energy: -110.116
Base-Backbone interact. energy: -0.004
local terms energy: -113.355321
where:
bonds (distance) C4'-P energy: -24.240
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -23.405
flat angles P-C4'-P energy: -16.214
tors. eta vs tors. theta energy: -33.894
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: 8
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -370.875182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.875182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.875182 (E_RNA)
where:
Base-Base interactions energy: -260.208
where: short stacking energy: -105.096
Base-Backbone interact. energy: -0.168
local terms energy: -110.499487
where:
bonds (distance) C4'-P energy: -19.547
bonds (distance) P-C4' energy: -21.924
flat angles C4'-P-C4' energy: -22.744
flat angles P-C4'-P energy: -15.400
tors. eta vs tors. theta energy: -30.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -384.116987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.116987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.116987 (E_RNA)
where:
Base-Base interactions energy: -272.709
where: short stacking energy: -112.352
Base-Backbone interact. energy: -0.160
local terms energy: -111.248137
where:
bonds (distance) C4'-P energy: -20.756
bonds (distance) P-C4' energy: -18.825
flat angles C4'-P-C4' energy: -25.319
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -35.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -337.874875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.874875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.874875 (E_RNA)
where:
Base-Base interactions energy: -237.212
where: short stacking energy: -109.162
Base-Backbone interact. energy: -0.494
local terms energy: -100.168921
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -20.315
flat angles C4'-P-C4' energy: -22.582
flat angles P-C4'-P energy: -15.351
tors. eta vs tors. theta energy: -29.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -356.748085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.748085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.748085 (E_RNA)
where:
Base-Base interactions energy: -259.497
where: short stacking energy: -102.940
Base-Backbone interact. energy: -0.432
local terms energy: -96.819438
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -17.307
flat angles C4'-P-C4' energy: -19.180
flat angles P-C4'-P energy: -15.497
tors. eta vs tors. theta energy: -29.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -116.257109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.257109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.257109 (E_RNA)
where:
Base-Base interactions energy: -50.450
where: short stacking energy: -30.133
Base-Backbone interact. energy: -0.414
local terms energy: -65.393372
where:
bonds (distance) C4'-P energy: -20.905
bonds (distance) P-C4' energy: -18.606
flat angles C4'-P-C4' energy: -18.904
flat angles P-C4'-P energy: -5.557
tors. eta vs tors. theta energy: -1.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -109.653935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.653935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.653935 (E_RNA)
where:
Base-Base interactions energy: -40.115
where: short stacking energy: -26.902
Base-Backbone interact. energy: -0.183
local terms energy: -69.355977
where:
bonds (distance) C4'-P energy: -20.080
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -18.396
tors. eta vs tors. theta energy: 2.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -101.393574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.393574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.393574 (E_RNA)
where:
Base-Base interactions energy: -39.082
where: short stacking energy: -27.495
Base-Backbone interact. energy: 1.558
local terms energy: -63.868964
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: 0.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -392.541232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.541232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.541232 (E_RNA)
where:
Base-Base interactions energy: -277.054
where: short stacking energy: -116.100
Base-Backbone interact. energy: -0.001
local terms energy: -115.486334
where:
bonds (distance) C4'-P energy: -20.071
bonds (distance) P-C4' energy: -20.484
flat angles C4'-P-C4' energy: -23.779
flat angles P-C4'-P energy: -16.655
tors. eta vs tors. theta energy: -34.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -399.448203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.448203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.448203 (E_RNA)
where:
Base-Base interactions energy: -276.521
where: short stacking energy: -112.089
Base-Backbone interact. energy: -0.103
local terms energy: -122.823607
where:
bonds (distance) C4'-P energy: -21.530
bonds (distance) P-C4' energy: -21.841
flat angles C4'-P-C4' energy: -26.246
flat angles P-C4'-P energy: -17.738
tors. eta vs tors. theta energy: -35.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -383.742714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.742714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.742714 (E_RNA)
where:
Base-Base interactions energy: -272.163
where: short stacking energy: -112.492
Base-Backbone interact. energy: -0.002
local terms energy: -111.577695
where:
bonds (distance) C4'-P energy: -22.261
bonds (distance) P-C4' energy: -19.680
flat angles C4'-P-C4' energy: -21.134
flat angles P-C4'-P energy: -14.600
tors. eta vs tors. theta energy: -33.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -376.189506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.189506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.189506 (E_RNA)
where:
Base-Base interactions energy: -262.328
where: short stacking energy: -106.253
Base-Backbone interact. energy: -0.295
local terms energy: -113.566486
where:
bonds (distance) C4'-P energy: -16.958
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -23.896
flat angles P-C4'-P energy: -17.754
tors. eta vs tors. theta energy: -34.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -367.077158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.077158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.077158 (E_RNA)
where:
Base-Base interactions energy: -262.828
where: short stacking energy: -105.739
Base-Backbone interact. energy: -0.008
local terms energy: -104.241526
where:
bonds (distance) C4'-P energy: -22.987
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -20.067
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: -29.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -336.724977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.724977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.724977 (E_RNA)
where:
Base-Base interactions energy: -242.190
where: short stacking energy: -104.158
Base-Backbone interact. energy: -0.434
local terms energy: -94.101121
where:
bonds (distance) C4'-P energy: -18.679
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -14.075
tors. eta vs tors. theta energy: -27.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -348.987143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.987143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.987143 (E_RNA)
where:
Base-Base interactions energy: -243.007
where: short stacking energy: -100.943
Base-Backbone interact. energy: -0.239
local terms energy: -105.740668
where:
bonds (distance) C4'-P energy: -19.976
bonds (distance) P-C4' energy: -20.068
flat angles C4'-P-C4' energy: -20.142
flat angles P-C4'-P energy: -14.631
tors. eta vs tors. theta energy: -30.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -119.587591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.587591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.587591 (E_RNA)
where:
Base-Base interactions energy: -52.241
where: short stacking energy: -33.776
Base-Backbone interact. energy: -0.235
local terms energy: -67.111260
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -19.872
flat angles P-C4'-P energy: -15.224
tors. eta vs tors. theta energy: 0.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -136.319315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.319315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.319315 (E_RNA)
where:
Base-Base interactions energy: -67.033
where: short stacking energy: -32.722
Base-Backbone interact. energy: -0.819
local terms energy: -68.467295
where:
bonds (distance) C4'-P energy: -19.464
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -0.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -102.460664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.460664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.460664 (E_RNA)
where:
Base-Base interactions energy: -62.181
where: short stacking energy: -29.702
Base-Backbone interact. energy: 1.796
local terms energy: -42.075873
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -7.776
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: 8.443
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: 501
Temperature: 0.900000
Total energy: -391.399343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.399343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.399343 (E_RNA)
where:
Base-Base interactions energy: -283.789
where: short stacking energy: -116.898
Base-Backbone interact. energy: -0.005
local terms energy: -107.605704
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -21.637
flat angles P-C4'-P energy: -18.806
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: 2, replica: 2
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -387.416586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.416586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.416586 (E_RNA)
where:
Base-Base interactions energy: -272.722
where: short stacking energy: -109.034
Base-Backbone interact. energy: -0.034
local terms energy: -114.661079
where:
bonds (distance) C4'-P energy: -26.153
bonds (distance) P-C4' energy: -20.472
flat angles C4'-P-C4' energy: -22.942
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -32.242
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: 3, replica: 8
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -379.463383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.463383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.463383 (E_RNA)
where:
Base-Base interactions energy: -264.979
where: short stacking energy: -109.194
Base-Backbone interact. energy: -0.417
local terms energy: -114.067698
where:
bonds (distance) C4'-P energy: -21.094
bonds (distance) P-C4' energy: -24.574
flat angles C4'-P-C4' energy: -21.976
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -32.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -376.000003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.000003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.000003 (E_RNA)
where:
Base-Base interactions energy: -262.037
where: short stacking energy: -105.185
Base-Backbone interact. energy: -0.051
local terms energy: -113.911879
where:
bonds (distance) C4'-P energy: -21.683
bonds (distance) P-C4' energy: -22.069
flat angles C4'-P-C4' energy: -23.102
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: -33.670
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: 5
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -373.281816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.281816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.281816 (E_RNA)
where:
Base-Base interactions energy: -263.753
where: short stacking energy: -109.639
Base-Backbone interact. energy: -0.002
local terms energy: -109.526548
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -23.232
flat angles C4'-P-C4' energy: -20.090
flat angles P-C4'-P energy: -17.276
tors. eta vs tors. theta energy: -34.785
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: 9
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -364.571724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.571724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.571724 (E_RNA)
where:
Base-Base interactions energy: -264.806
where: short stacking energy: -104.024
Base-Backbone interact. energy: -0.075
local terms energy: -99.689970
where:
bonds (distance) C4'-P energy: -19.112
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -22.662
flat angles P-C4'-P energy: -11.269
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: 7, replica: 10
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -319.330750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.330750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.330750 (E_RNA)
where:
Base-Base interactions energy: -220.501
where: short stacking energy: -93.376
Base-Backbone interact. energy: -0.069
local terms energy: -98.761359
where:
bonds (distance) C4'-P energy: -18.475
bonds (distance) P-C4' energy: -17.118
flat angles C4'-P-C4' energy: -23.844
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -28.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -153.647583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.647583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.647583 (E_RNA)
where:
Base-Base interactions energy: -68.666
where: short stacking energy: -46.658
Base-Backbone interact. energy: -0.459
local terms energy: -84.522656
where:
bonds (distance) C4'-P energy: -23.591
bonds (distance) P-C4' energy: -20.074
flat angles C4'-P-C4' energy: -19.634
flat angles P-C4'-P energy: -13.893
tors. eta vs tors. theta energy: -7.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -112.146977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.146977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.146977 (E_RNA)
where:
Base-Base interactions energy: -44.425
where: short stacking energy: -36.491
Base-Backbone interact. energy: 0.114
local terms energy: -67.836044
where:
bonds (distance) C4'-P energy: -19.090
bonds (distance) P-C4' energy: -20.087
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -4.822
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: 4
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -102.201169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.201169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.201169 (E_RNA)
where:
Base-Base interactions energy: -49.747
where: short stacking energy: -25.661
Base-Backbone interact. energy: -0.156
local terms energy: -52.298569
where:
bonds (distance) C4'-P energy: -6.791
bonds (distance) P-C4' energy: -19.536
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -15.649
tors. eta vs tors. theta energy: 5.885
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)
replica 2 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 16733428
moves confirmed later: 18597750
all moves confirmed: 35331178
percent of confirmed moves: 4.416397
current total energy: -362.518770
recalc. total energy: -362.518770
replica 7 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 33521387
moves confirmed later: 40648848
all moves confirmed: 74170235
percent of confirmed moves: 9.271279
current total energy: -347.013363
recalc. total energy: -347.013363
replica 8 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 22843274
moves confirmed later: 26685197
all moves confirmed: 49528471
percent of confirmed moves: 6.191059
current total energy: -347.170683
recalc. total energy: -347.170683
replica 6 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 30884620
moves confirmed later: 37284830
all moves confirmed: 68169450
percent of confirmed moves: 8.521181
current total energy: -309.672695
recalc. total energy: -309.672695
replica 5 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 14257686
moves confirmed later: 15741867
all moves confirmed: 29999553
percent of confirmed moves: 3.749944
current total energy: -333.982008
recalc. total energy: -333.982008
replica 9 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 12552452
moves confirmed later: 13524425
all moves confirmed: 26076877
percent of confirmed moves: 3.259610
current total energy: -312.418112
recalc. total energy: -312.418112
replica 10 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 22602184
moves confirmed later: 26379189
all moves confirmed: 48981373
percent of confirmed moves: 6.122672
current total energy: -266.958559
recalc. total energy: -266.958559
replica 1 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 34607877
moves confirmed later: 42023329
all moves confirmed: 76631206
percent of confirmed moves: 9.578901
current total energy: -55.109886
recalc. total energy: -55.109886
replica 4 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 24189151
moves confirmed later: 28272395
all moves confirmed: 52461546
percent of confirmed moves: 6.557693
current total energy: -37.462665
recalc. total energy: -37.462665
replica 3 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 20917576
moves confirmed later: 23965204
all moves confirmed: 44882780
percent of confirmed moves: 5.610347
current total energy: -50.265137
recalc. total energy: -50.265137
out arg RESULTS//1/5uzt-ff71bff9_01
Time of doing 8000000 iterations: 4445.245 seconds