- conf.g96: Coordinate file in Gromos-96 format
- grompp.mdp: Input file with molecular dynamic parameters
- topol.top: Topology file
- The parameters of this molecular dynamic simulation are:
- 360 water molecules
- 298 K and 1 bar
- 8.000.000 MD cycles
- Van der Waals: 9.0 A Cut-off with long range corrections
- Electrostatics: 9.0 A Cut-off with Ewals sum for the long-range corrections
- Temperature coupling: Nose-Hoover
- Pressure coupling: parrinello-Raman
- For more information: Gromacs user manual