- Length
- 20 ns@ 4 fs = 5,000,000 steps
- Frames
- 201 frame every 1,000 ps
- Ensemble
- NVTconstant number of particles, volume and temperature
- Temperature
- 379 K
- Force field
- CHARMM22*water model TIP3P
- Atoms
- 4,136
- Composition
- Total system4,136 atoms · 263 residues
- Protein4,136 atoms · 263 residues
- Lipids0 atoms · 0 residues
- Carbohydrates0 atoms · 0 residues
- Solvent0 atoms · 0 residues
- Counter-ions
- 0Cations (+)
- 0Anions (-)
- 0Total ions