replica 3 | Dynarepo 7LO6 | MDRepoOmid Mokhtari;Hamed Khakzad;Yasaman Karami;
replica 3NPT
Loading structure.
Parameters
- Length
- 500.1 ns@ 2 fs = 250,050,000 steps
- Frames
- 5,0011 frame every 100 ps
- Ensemble
- NPT
constant number of particles, pressure and temperature
Force fieldCHARMM36mwater model TIP3P Box13.661 x 13.661 x 9.651 nmDodecahedron · 1,801.18 nm³ Composition- Total system7,282 atoms · 469 residues
- Protein7,282 atoms · 469 residues
- Lipids0 atoms · 0 residues
- Carbohydrates0 atoms · 0 residues
- Solvent0 atoms · 0 residues
Counter-ions- 0Cations (+)
- 0Anions (-)
- 0Total ions