I’m currently working on a crosslinked polymer system that I’ve built and equilibrated in Materials Studio. I’m trying to convert my model (in .xtd / .car format) to a LAMMPS .data file for simulation, but I don’t have access to the Pipeline Pilot Run LAMMPS MD protocol.

Would anyone with a Pipeline Pilot license and access to this protocol be willing to help me convert a few files?

I can share the .xtd and .car files directly, and would greatly appreciate the help. I’ve tried using msi2lmp with the pcff forcefield, but due to unsupported atom types and missing force field parameters, it doesn’t generate a usable LAMMPS input. Any help would be greatly appreciated!