I have a LAMMPS data file with roughly 1000 water molecules, with constituent atoms defined by an atom type (i.e, OW = type 1, HW = type 2), while the molecule itself is not defined explicitly. Therefore, there are approx. 3000 'water atoms' in the system.
The system also contains 50 polymer chains with the total system size being around 20,000 atoms.
I need to triple the number of water molecules in the system while keeping the box size constant (and avoiding overlapping atoms). How would I do this? I'm aware of the create_atoms command, although how this would be used in this case I'm unsure.
delete_atoms overlapalong with
create_atomsto ensure there is no overlapping. $\endgroup$