I’m working with a gamma-graphyne membrane for water desalination. I set up the simulation box containing only water, graphene pistons, and the membrane. However, in OVITO, I observe the water crystallizing—meaning it does not pass through the membrane. I have already checked the LJ force field, k-space settings, etc. Could anyone help me?
@Rogelma This post is not about LAMMPS but about how you do your research. Thus it is off topic for the LAMMPS category and I have moved it to science talk. Please also note that it is very unlikely to get the kind of assistance you are looking for in a public forum. This is more something to discuss with an advisor or colleague or collaborator.
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