The LAMMPS input script and data file were built to match the Cerius Dreiding files included in this directory (ch3oh.box.*) so that you can compare LAMMPS output to a Dreiding implementation in the Cerius code.
The LAMMPS input script and data file were built to match the Cerius Dreiding files included in this directory (ch3oh.box.*) so that you can compare LAMMPS output to a Dreiding implementation in the Cerius code.