Dear Lammps users,
I want to use the GCMC fix style in lammps for a porous material and propane molecule with explicit atoms. The manual reads that the molecule keyword is not yet available, so how should I do the exchanges on Propane as a whole (with two force field types of course) that the atoms are not lost?
Thanks
emily
Dear Lammps users,
I want to use the GCMC fix style in lammps for a porous material and propane
molecule with explicit atoms. The manual reads that the molecule keyword is
not yet available, so how should I do the exchanges on Propane as a whole
(with two force field types of course) that the atoms are not lost?
you cannot. it is not (yet) supported. exactly as the manual says.
axel.