- Length
- 500.1 ns@ 2 fs = 250,050,000 steps
- Frames
- 5,0011 frame every 100 ps
- Ensemble
- NPTconstant number of particles, pressure and temperature
- Temperature
- 310 K
- Force field
- CHARMM36mwater model TIP3P
- Atoms
- 26,590
- Box
- 17.082 x 17.082 x 12.086 nmDodecahedron · 3,526.42 nm³
- Composition
- Total system26,590 atoms · 1,681 residues
- Protein26,590 atoms · 1,681 residues
- Lipids0 atoms · 0 residues
- Carbohydrates0 atoms · 0 residues
- Solvent0 atoms · 0 residues
- Counter-ions
- 0Cations (+)
- 0Anions (-)
- 0Total ions