Hello everyone,
I am working on a simulation in LAMMPS where I need to pack molecules within a specific region inside a cell. Specifically, I want to place molecules in a sub-region (e.g., a sphere, box, or ellipsoid) while ensuring the rest of the cell remains empty.
I am aware of the create_atoms command for generating atomic structures, but I’m not sure how to restrict the packing of molecules to just a certain region inside the cell.
For Example if you had a tube inside the cell and you have to pack molecules outside the tube but inside the cell.