replica 1 | Dynarepo 5BK1 | 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
- NPT
constant number of particles, pressure and temperature
Force fieldCHARMM36mwater model TIP3P Box9.564 x 9.564 x 6.801 nmDodecahedron · 622.04 nm³ Composition- Total system5,658 atoms · 366 residues
- Protein5,658 atoms · 366 residues
- Lipids0 atoms · 0 residues
- Carbohydrates0 atoms · 0 residues
- Solvent0 atoms · 0 residues
Counter-ions- 0Cations (+)
- 0Anions (-)
- 0Total ions