[lammps-users] When change LJ parameter to zero...

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1

Dear lammps-users,

I want to calculate the loading amount of CH4 molecule in nanopore without considering the interaction between CH4 molecule and nanopore, and just considering the volume effect of atoms of nanopore. To do it, I change the lj parameter for atoms of nanopore to zero, and atom_style is full. However, LAMMPS regards atoms in nanopore as nothing, the volume of atoms of nanopore was ignored. Could you give me better suggestions?

Best regard
Dongbo Wang

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For particles to “see” each other, there has to be a nonzero potential between them.
So what you are asking for is contradictory.

Your best shot at finding an alternative is to search the published literature for similar studies to your and check what people have done there.

Axel.