replica 1 | Dynarepo 4YEB | MDRepoOmid Mokhtari;Hamed Khakzad;Yasaman Karami;
replica 1NPT
Loading structure.
Parameters
- Length
- 500.1 ns@ 2 fs = 250,050,000 steps
- Frames
- 5,0011 frame every 100 ps
- Ensemble
NPTconstant number of particles, pressure and temperatureForce fieldCHARMM36mwater model TIP3P Box11.701 x 11.701 x 8.291 nmDodecahedron · 1,135.13 nm³ Composition- Total system9,383 atoms · 590 residues
- Protein9,383 atoms · 590 residues
- Lipids0 atoms · 0 residues
- Carbohydrates0 atoms · 0 residues
- Solvent0 atoms · 0 residues
Counter-ions- 0Cations (+)
- 0Anions (-)
- 0Total ions