[lammps-users] Fill the voids of a Graphene Foam Structure

You could just create/load the two subsystems on top of each other and then use some smart scripting to detect overlapping atoms (aka close contacts) and then delete the entire molecule.
This can be done with both LAMMPS and VMD, but requires that you have bonds, so they can determine what constitutes a “molecule” for removal, which would have to be removed afterwards, since reaxff does not use explicit bonds.