Fix GCMC Problem

Hi Lammps users,

I have to make a Fix GCMC simulation, in which I need to find out how many atoms are in a certain volume considering the pressure value in attached input.
I have tried to start with a box that has already one molecule in it, but there is something wrong in my work and I cannot find out where the mistake is.
Every single contribution will be extremely useful for me.
Thank you in advance for helping!



input_Argon_cubec.sum (10.7 KB) (566 Bytes) (449 Bytes)

argon.molecule (230 Bytes)