Use .frc files directly

Dear LAMMPS users,

Can we use .frc files in LAMMPS directly, or do we have to insert the parameters manually?



You first need to build a geometry and topology file for your system and apply force field specific atom types and partial charges. For frc style force field files this is typically done with a software like materials studio. Then you can use the msi2lmp tool to generate a LAMMPS data file and input template from those.

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