Dear Sir,
I am willing to analysis of de-wetting, layering, surface morphology, desorption and decomposition of PFPE lubricant using coarse grain bead spring model. I need to know how I can proceed using LAMMPS. If I have to modify LAMMPS code, how I can do and which part I have to modify and modified part can be debugged and run. Please let me. I am waiting for your reply.
Best regards
Dr. Sankar
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Any of the Qs you ask are possible and there is LAMMPS doc pages about
them - e.g. see bond_style fene and Section_modify.html. I suggest you
find a CG model in the literature that is close to what you want and then
figure out if LAMMPS can mimic it. Ask a more specific question if you
get stuck.
Steve