Use with LAMMPS

An Interchange object can be writtent to a LAMMPS data file with Interchange.to_lammps()

interchange.to_lammps('data.lmp')

An input file with settings inferred from data in the Interchange object can also be written. Note that this file will only run a single-point energy calculaqtion. run and other commands should be modified to before running an MD simulation. This will write a file run.inp:

from openff.interchange.drivers.gromacs import _write_mdp_file
_write_lammps_input(interchange, "run.inp")