how to modify msi2lmp tool to create data files with atom_style charge

Dear all,

I have to convert initial configurations created by material studio (i.e. car and mdf files) to LAMMPS files and run simulations with the ReaxFF force field. I guess the best way is to employ the msi2lmp tool.

I plan to specify the parameters for each atom type in the LAMMPS input script file manually (i.e. no automatic assignment from msi2lmp). Thus, I think that the only required modification to this tool is to write LAMMPS data file which will be compatible with the format dictated by the " atom_style charge" command.

I would appreciate any suggestion how to modify the existing code.