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replica 1 | Sulphonamides - Sulfadoxine -1 | MDRepo
Records
Sulphonamides - Sulfadoxine -1
Experiments
replica 1
Overview
MD-A007YA
Sulphonamides - Sulfadoxine -1
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Overview
Trajectory viewer
Analyses
Force Field & Water Model
Force field
N/A
Water model
TIP3P
Simulation Parameters
Frames
100,000
Frequency
10 ps
Simulation length
1,000 ns
Timestep
2 fs
Temperature
310 K
Ensemble
NPT
Simulation Box
Box type
N/A
X
5.289 nm
Y
4.877 nm
Z
4.672 nm
Box volume
120.53 nm³
System Composition
Total system
34
atoms
1
residues
Protein
0
atoms
0
residues
Nucleic acids
0
atoms
0
residues
Lipids
0
atoms
0
residues
Carbohydrates
0
atoms
0
residues
Solvent
0
atoms
Counter-Ions
Cations (+)
0
Anions (-)
0
Total ions
0
0
residues