... the initial MD cell. Modifications to PACKMOL allow the atom type data to be passed through to the MSI2LMP software. MSI2LMP creates a LAMMPS input file based on class I or class II force fields. MSI2LMP was modified to use numerically coded force field data generated by NanoEngineer-1. The MMP file format was extended and integrated into all three software applications.
http://www.nanoengineer-1.net
http://www.ime.unicamp.br/~martinez/packmol/
http://lammps.sandia.gov/