replica 3 | Dynarepo 7MMN | MDRepoOmid Mokhtari;Hamed Khakzad;Yasaman Karami;
replica 3NPT
Loading structure.
Parameters
- Length
- 469.2 ns@ 2 fs = 234,600,000 steps
- Frames
- 4,6921 frame every 100 ps
- Ensemble
- NPT
constant number of particles, pressure and temperature
Force fieldCHARMM36mwater model TIP3P Box13.614 x 13.614 x 9.589 nmDodecahedron · 1,777.39 nm³ Composition- Total system5,797 atoms · 373 residues
- Protein5,797 atoms · 373 residues
- Lipids0 atoms · 0 residues
- Carbohydrates0 atoms · 0 residues
- Solvent0 atoms · 0 residues
Counter-ions- 0Cations (+)
- 0Anions (-)
- 0Total ions